REMARK FINAL COORDINATES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 43.849 48.407 30.797 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 44.698 48.494 30.357 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 44.449 49.547 29.360 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 44.407 50.481 29.922 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 43.614 49.169 28.770 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 45.615 49.663 28.381 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 45.450 50.445 27.639 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 46.957 49.818 28.985 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 47.889 49.044 28.259 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 48.555 49.780 27.809 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 48.606 48.129 29.205 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 47.908 47.367 30.121 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 46.832 47.412 30.212 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 48.676 46.660 31.026 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 48.133 46.096 31.770 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 50.016 46.619 30.937 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 50.700 45.764 31.702 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 51.696 45.695 31.551 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 50.128 45.209 32.322 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 50.720 47.398 30.090 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 50.016 48.104 29.188 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 50.655 48.837 28.360 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 45.690 48.283 27.620 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 45.714 47.502 28.380 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 47.116 48.307 27.143 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 47.473 47.280 27.075 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 47.374 49.014 25.943 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 46.855 48.736 25.185 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 44.705 48.096 26.557 1.00 0.00 SBOX O ATOM 30 P ADE A 9 43.959 46.675 26.311 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 45.056 45.650 26.133 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 42.963 46.554 27.361 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 43.135 46.793 24.876 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 43.722 46.847 23.651 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 44.199 45.900 23.400 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 44.610 47.478 23.605 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 42.852 47.118 22.496 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 43.367 46.932 21.553 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 41.692 46.242 22.558 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 40.589 46.875 23.047 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 39.866 46.985 22.238 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 40.065 45.941 24.130 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 40.230 45.971 25.482 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 40.747 46.805 25.933 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 39.530 45.075 26.145 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 38.991 44.367 25.121 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 38.202 43.170 25.047 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 37.725 42.520 26.069 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 37.426 41.564 25.939 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 37.990 42.808 27.000 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 37.933 42.492 23.911 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 38.374 43.025 22.858 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 38.270 42.338 22.031 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 39.088 44.133 22.750 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 39.270 44.834 23.881 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 42.302 48.537 22.612 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 43.014 49.106 23.209 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 41.048 48.291 23.387 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 41.289 48.311 24.450 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 39.967 49.156 23.194 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 40.097 49.706 22.418 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 41.998 49.009 21.280 1.00 0.00 SBOX O ATOM 63 P ADE A 10 42.090 50.498 20.818 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 43.364 51.102 21.301 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 41.766 50.423 19.368 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 40.870 51.212 21.550 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 39.560 51.186 20.975 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 39.268 50.136 20.987 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 39.630 51.526 19.941 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 38.556 52.003 21.822 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 37.544 51.640 21.641 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 38.646 51.825 23.218 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 38.711 53.098 23.826 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 38.241 53.187 24.805 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 40.133 53.484 24.183 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 41.298 52.705 24.072 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 41.314 51.694 23.693 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 42.255 53.118 24.783 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 41.757 54.277 25.399 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 42.257 55.290 26.245 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 43.395 55.225 26.884 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 43.550 55.918 27.602 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 44.231 54.710 26.647 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 41.460 56.248 26.769 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 40.258 56.323 26.343 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 39.669 57.178 26.641 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 39.708 55.568 25.352 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 40.531 54.580 24.918 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 38.622 53.444 21.598 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 39.671 53.706 21.460 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 38.105 54.130 22.820 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 38.659 55.058 22.962 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 36.671 54.333 23.120 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 36.628 54.757 23.980 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 37.918 53.864 20.548 1.00 0.00 SBOX O ATOM 96 P GUA A 11 38.538 54.789 19.451 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 39.747 54.164 18.863 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 37.470 55.101 18.449 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 38.953 56.118 20.243 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 37.906 57.049 20.591 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 37.221 56.473 21.212 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 37.292 57.480 19.800 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 38.744 58.128 21.347 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 37.998 58.899 21.544 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 39.292 57.781 22.670 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 40.484 58.533 22.744 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 40.371 59.094 23.672 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 41.618 57.637 22.844 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 41.884 56.518 22.137 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 41.382 56.339 21.197 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 42.980 55.860 22.456 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 43.571 56.686 23.465 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 44.835 56.634 24.127 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 45.825 55.880 24.080 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 44.993 57.727 25.033 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 45.780 57.840 25.656 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 44.039 58.592 25.259 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 44.428 59.518 26.046 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 45.196 59.251 26.645 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 43.784 60.283 26.188 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 42.895 58.790 24.603 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 42.699 57.764 23.702 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 39.809 58.730 20.469 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 40.426 57.980 19.975 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 40.589 59.461 21.554 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 41.623 59.664 21.278 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 39.937 60.637 22.042 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 40.588 61.104 22.572 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 39.210 59.533 19.543 1.00 0.00 SBOX O ATOM 130 P ADE A 12 39.812 60.192 18.233 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 40.448 59.139 17.474 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 38.691 60.915 17.641 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 40.840 61.223 18.832 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 40.378 62.532 19.122 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 39.697 62.570 19.972 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 39.837 62.910 18.255 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 41.555 63.528 19.347 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 41.186 64.500 19.672 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 42.272 63.062 20.489 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 43.648 63.034 20.306 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 44.062 63.545 21.176 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 44.121 61.661 20.269 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 44.007 60.735 19.296 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 43.591 61.001 18.335 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 44.617 59.592 19.454 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 45.132 59.768 20.758 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 45.882 59.022 21.747 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 46.284 57.811 21.588 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 46.965 57.459 22.245 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 46.176 57.192 20.797 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 46.221 59.455 22.950 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 45.951 60.754 23.180 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 46.277 61.099 24.150 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 45.235 61.586 22.451 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 44.800 60.981 21.291 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 42.657 63.592 18.209 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 42.729 62.652 17.661 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 43.972 63.758 19.031 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 44.808 63.260 18.540 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 44.421 65.074 19.470 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 45.230 64.976 19.978 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 42.534 64.678 17.225 1.00 0.00 SBOX O ATOM 163 P GUA A 13 41.622 64.501 15.906 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 41.819 63.150 15.272 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 40.284 64.879 16.227 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 42.257 65.561 15.026 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 43.257 65.278 14.184 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 42.915 64.792 13.271 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 44.001 64.730 14.763 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 43.995 66.568 13.882 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 43.318 67.388 13.642 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 44.814 66.802 14.938 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 45.845 67.624 14.502 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 45.595 68.630 14.838 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 47.232 67.424 15.067 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 47.821 66.222 15.376 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 47.450 65.242 15.113 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 48.928 66.312 16.142 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 49.061 67.714 16.336 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 49.982 68.441 17.151 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 50.873 68.104 17.921 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 49.663 69.802 17.135 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 50.277 70.376 17.694 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 48.711 70.360 16.375 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 48.520 71.604 16.522 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 49.284 72.138 16.913 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 47.750 72.117 16.118 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 47.777 69.716 15.682 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 48.014 68.376 15.674 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 44.829 66.543 12.647 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 45.425 65.633 12.566 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 45.807 67.653 12.964 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 46.772 67.595 12.460 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 45.206 68.958 12.658 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 45.377 69.005 11.715 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 44.089 66.857 11.456 1.00 0.00 SBOX O ATOM 197 P ADE A 14 43.502 65.906 10.434 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 44.124 64.576 10.569 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 42.036 66.011 10.579 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 43.943 66.527 9.074 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 45.293 66.614 8.725 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 45.594 65.619 8.398 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 45.857 66.879 9.619 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 45.563 67.711 7.650 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 46.600 68.009 7.804 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 45.349 67.136 6.377 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 44.097 67.554 5.876 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 44.171 67.590 4.789 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 43.034 66.481 6.034 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 43.068 65.225 6.581 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 43.876 64.882 7.211 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 42.125 64.454 6.097 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 41.351 65.283 5.247 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 40.259 65.196 4.345 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 39.603 64.159 4.065 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 38.932 64.242 3.315 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 39.730 63.255 4.497 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 39.795 66.279 3.600 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 40.481 67.385 3.784 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 40.167 68.208 3.159 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 41.480 67.630 4.525 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 41.865 66.511 5.244 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 44.662 68.975 7.782 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 43.997 68.763 8.619 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 43.759 68.884 6.536 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 42.714 68.830 6.842 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 43.993 69.962 5.636 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 44.846 70.308 5.910 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 45.346 70.225 7.814 1.00 0.00 SBOX O ATOM 230 P GUA A 15 45.811 70.636 9.357 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 44.596 70.629 10.176 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 46.962 69.815 9.806 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 46.236 72.185 9.272 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 47.637 72.538 9.155 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 47.955 72.651 8.118 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 48.339 71.791 9.525 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 47.632 73.835 10.063 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 46.951 74.611 9.715 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 47.333 73.460 11.385 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 48.401 73.961 12.282 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 48.015 74.314 13.238 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 49.360 72.859 12.655 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 49.252 71.450 12.487 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 48.409 71.029 11.960 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 50.154 70.716 13.120 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 50.902 71.678 13.771 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 52.029 71.537 14.585 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 52.644 70.504 14.848 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 52.330 72.668 15.317 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 53.092 72.719 15.977 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 51.787 73.841 15.088 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 52.278 74.795 15.775 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 52.967 74.651 16.500 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 51.917 75.712 15.557 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 50.853 74.134 14.221 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 50.404 72.984 13.585 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 49.057 74.414 10.096 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 49.651 73.515 9.931 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 49.204 74.998 11.495 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 50.271 75.013 11.718 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 48.570 76.247 11.782 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 48.580 76.397 12.730 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 49.271 75.334 8.994 1.00 0.00 SBOX O ATOM 264 P GUA A 16 50.689 75.761 8.406 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 51.426 74.512 8.179 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 50.401 76.691 7.318 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 51.474 76.631 9.592 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 52.903 76.794 9.476 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 53.140 77.263 8.521 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 53.362 75.807 9.415 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 53.592 77.610 10.561 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 53.213 78.610 10.351 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 53.089 77.279 11.911 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 54.222 76.841 12.675 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 54.147 77.193 13.703 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 54.340 75.386 12.625 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 53.561 74.458 11.896 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 52.771 74.761 11.224 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 53.788 73.247 12.125 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 54.844 73.294 13.032 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 55.622 72.314 13.733 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 55.588 71.089 13.567 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 56.448 72.784 14.715 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 56.975 72.083 15.216 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 56.533 74.062 15.073 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 57.431 74.333 15.894 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 57.864 73.542 16.349 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 57.675 75.307 16.005 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 55.943 75.009 14.442 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 55.184 74.602 13.359 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 55.175 77.483 10.518 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 55.433 76.466 10.221 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 55.467 77.447 12.015 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 56.327 76.807 12.210 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 55.630 78.715 12.526 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 55.933 78.561 13.424 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 55.924 78.457 9.890 1.00 0.00 SBOX O ATOM 298 P URA A 17 57.111 78.152 8.847 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 56.679 77.003 8.050 1.00 0.00 SBOX ATOM 300 O2P URA A 17 57.523 79.386 8.152 1.00 0.00 SBOX ATOM 301 O5' URA A 17 58.379 77.621 9.708 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 59.355 78.424 10.365 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 58.997 79.407 10.670 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 60.066 78.651 9.570 1.00 0.00 SBOX ATOM 305 C4' URA A 17 60.239 77.741 11.407 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 60.921 78.404 11.939 1.00 0.00 SBOX ATOM 307 O4' URA A 17 59.461 77.029 12.340 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 60.133 75.833 12.710 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 60.305 75.807 13.786 1.00 0.00 SBOX ATOM 310 N1 URA A 17 59.393 74.588 12.419 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 58.329 74.619 11.532 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 57.908 75.506 11.083 1.00 0.00 SBOX ATOM 313 C5 URA A 17 57.667 73.489 11.155 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 56.859 73.498 10.438 1.00 0.00 SBOX ATOM 315 C4 URA A 17 58.110 72.178 11.547 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 57.571 71.086 11.242 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 59.356 72.211 12.250 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 59.721 71.309 12.520 1.00 0.00 SBOX ATOM 319 C2 URA A 17 59.919 73.321 12.788 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 60.993 73.179 13.443 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 61.146 76.628 10.817 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 60.677 75.954 10.101 1.00 0.00 SBOX ATOM 323 C2' URA A 17 61.490 75.844 12.097 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 61.800 74.861 11.742 1.00 0.00 SBOX ATOM 325 O2' URA A 17 62.449 76.568 12.936 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 62.904 75.856 13.392 1.00 0.00 SBOX ATOM 327 O3' URA A 17 62.328 77.138 10.187 1.00 0.00 SBOX O ATOM 328 P GUA A 18 63.064 76.434 8.918 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 62.114 76.470 7.794 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 64.335 77.103 8.663 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 63.260 74.919 9.350 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 64.265 74.478 10.325 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 64.065 75.084 11.208 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 65.237 74.782 9.935 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 64.125 73.021 10.722 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 64.823 72.993 11.558 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 62.843 72.737 11.249 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 62.483 71.387 10.799 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 62.152 70.799 11.656 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 61.390 71.480 9.849 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 60.973 72.545 9.055 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 61.511 73.466 8.885 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 59.856 72.318 8.446 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 59.495 71.027 8.862 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 58.335 70.198 8.519 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 57.514 70.488 7.671 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 58.277 68.924 9.129 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 57.527 68.302 8.862 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 59.293 68.447 9.839 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 59.087 67.250 10.363 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 58.355 66.776 9.854 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 59.811 66.774 10.882 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 60.360 69.130 10.191 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 60.417 70.456 9.685 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 64.457 71.988 9.670 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 64.041 72.185 8.681 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 63.770 70.764 10.214 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 63.615 69.996 9.457 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 64.467 70.176 11.334 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 65.413 70.300 11.229 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 65.880 71.812 9.470 1.00 0.00 SBOX O ATOM 362 P GUA A 19 66.689 72.629 8.324 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 65.844 72.887 7.151 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 67.376 73.783 8.948 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 67.843 71.580 7.954 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 67.644 70.492 7.070 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 68.629 70.341 6.629 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 67.011 70.929 6.298 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 66.996 69.165 7.591 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 67.719 68.737 8.286 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 65.733 69.352 8.175 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 64.751 68.420 7.658 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 64.171 67.908 8.426 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 63.827 69.160 6.737 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 64.059 70.310 6.128 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 65.044 70.750 6.076 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 63.012 70.824 5.451 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 61.996 69.896 5.823 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 60.577 69.820 5.579 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 59.836 70.484 4.857 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 59.949 68.785 6.228 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 58.989 68.619 5.961 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 60.596 67.827 6.896 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 59.892 66.785 7.206 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 58.887 66.824 7.303 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 60.354 65.966 7.577 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 61.872 67.759 7.088 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 62.515 68.845 6.571 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 66.818 68.180 6.453 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 66.429 68.776 5.627 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 65.685 67.351 6.999 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 65.169 66.791 6.220 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 66.104 66.357 7.960 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 66.510 65.609 7.516 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 67.979 67.362 6.169 1.00 0.00 SBOX O ATOM 396 P ADE A 20 67.912 66.296 5.001 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 66.958 66.731 4.019 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 69.334 66.077 4.617 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 67.455 64.978 5.647 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 68.294 64.378 6.644 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 68.558 65.089 7.426 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 69.249 64.050 6.233 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 67.581 63.003 7.100 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 68.027 62.697 8.046 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 66.216 63.129 7.525 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 65.442 62.269 6.769 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 64.998 61.594 7.501 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 64.283 62.974 6.005 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 64.258 64.187 5.285 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 65.139 64.811 5.261 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 63.147 64.466 4.690 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 62.361 63.330 4.982 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 61.014 62.900 4.783 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 60.169 63.688 4.190 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 59.200 63.560 4.445 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 60.492 64.597 3.891 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 60.469 61.809 5.330 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 61.268 61.128 6.041 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 60.789 60.249 6.448 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 62.546 61.327 6.337 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 63.029 62.461 5.785 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 67.755 61.935 6.050 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 67.963 62.482 5.130 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 66.338 61.431 5.835 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 66.087 61.708 4.811 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 66.203 60.039 6.033 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 66.264 59.917 6.983 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 68.850 61.009 6.207 1.00 0.00 SBOX O ATOM 429 P GUA A 21 69.049 60.077 7.497 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 69.191 58.706 6.958 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 70.244 60.654 8.165 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 67.767 60.151 8.374 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 67.599 59.231 9.447 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 68.366 59.426 10.196 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 67.662 58.212 9.063 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 66.164 59.461 10.037 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 66.230 60.327 10.696 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 65.174 59.759 9.048 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 63.960 59.149 9.336 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 63.123 59.841 9.247 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 63.556 58.077 8.370 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 64.358 57.448 7.415 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 65.391 57.743 7.299 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 63.872 56.425 6.826 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 62.588 56.402 7.349 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 61.457 55.520 7.046 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 61.352 54.518 6.322 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 60.244 56.058 7.495 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 59.397 55.676 7.098 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 60.143 57.075 8.299 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 58.973 57.377 8.733 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 58.171 56.813 8.490 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 58.964 58.171 9.357 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 61.135 57.826 8.821 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 62.325 57.474 8.200 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 65.576 58.364 10.885 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 65.706 57.423 10.352 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 64.135 58.737 10.835 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 63.473 57.900 11.058 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 63.742 59.886 11.674 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 62.884 60.257 11.454 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 66.082 58.330 12.181 1.00 0.00 SBOX O ATOM 463 P GUA A 22 65.856 57.083 13.107 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 66.463 55.903 12.485 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 66.270 57.539 14.452 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 64.237 56.756 13.068 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 63.329 57.437 13.959 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 63.518 58.505 13.853 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 63.430 57.197 15.017 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 61.886 57.061 13.628 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 61.167 57.646 14.202 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 61.473 57.171 12.321 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 60.444 56.226 12.156 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 59.462 56.618 11.893 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 60.859 55.161 11.192 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 62.175 54.944 10.692 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 62.957 55.678 10.825 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 62.231 54.002 9.781 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 60.942 53.404 9.797 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 60.304 52.384 8.960 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 60.787 51.559 8.122 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 58.997 52.261 9.215 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 58.477 51.522 8.763 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 58.329 52.999 10.098 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 57.038 52.805 10.106 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 56.583 52.017 9.668 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 56.418 53.315 10.718 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 58.732 53.933 10.884 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 60.111 54.163 10.656 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 61.545 55.642 14.106 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 62.234 54.927 13.658 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 60.194 55.512 13.481 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 59.989 54.451 13.341 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 59.111 56.215 14.121 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 58.440 55.554 14.305 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 61.587 55.506 15.532 1.00 0.00 SBOX O ATOM 497 P GUA A 23 61.607 54.102 16.254 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 62.603 53.234 15.533 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 61.875 54.368 17.642 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 60.212 53.350 16.006 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 59.049 53.893 16.493 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 59.028 54.967 16.310 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 59.184 53.967 17.573 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 57.748 53.139 16.041 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 56.900 53.630 16.519 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 57.502 53.144 14.630 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 57.085 51.860 14.215 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 56.117 52.024 13.742 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 58.041 51.202 13.305 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 59.418 51.372 13.099 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 60.044 52.089 13.609 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 59.910 50.527 12.186 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 58.831 49.765 11.819 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 58.651 48.681 10.882 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 59.415 48.097 10.125 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 57.399 48.107 10.768 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 57.256 47.339 10.128 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 56.409 48.559 11.502 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 55.282 48.099 11.128 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 55.188 47.287 10.535 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 54.422 48.379 11.578 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 56.437 49.537 12.379 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 57.690 50.134 12.504 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 57.788 51.653 16.521 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 58.749 51.212 16.256 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 56.800 51.026 15.544 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 56.946 49.953 15.420 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 55.491 51.265 15.970 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 55.336 50.654 16.694 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 57.475 51.543 17.944 1.00 0.00 SBOX O ATOM 531 P ADE A 24 57.567 50.131 18.694 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 56.803 50.147 19.964 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 57.403 49.063 17.750 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 59.100 50.124 19.107 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 59.821 51.216 19.560 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 59.164 51.750 20.246 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 60.124 51.900 18.767 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 61.117 50.785 20.321 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 61.762 51.663 20.323 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 60.783 50.464 21.635 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 61.461 49.286 22.035 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 62.050 49.430 22.941 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 60.509 48.192 22.316 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 59.172 48.201 22.042 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 58.818 49.077 21.519 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 58.468 47.179 22.512 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 59.441 46.343 23.096 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 59.494 45.098 23.796 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 58.485 44.351 24.114 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 58.692 43.512 24.637 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 57.509 44.520 23.920 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 60.633 44.579 24.232 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 61.731 45.244 23.984 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 62.669 44.885 24.380 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 61.880 46.499 23.427 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 60.680 46.942 22.935 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 61.996 49.686 19.705 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 61.432 49.092 18.986 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 62.460 48.885 20.953 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 62.260 47.845 20.697 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 63.781 49.189 21.369 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 63.879 50.045 20.945 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 63.170 50.245 19.013 1.00 0.00 SBOX O ATOM 564 P CYT A 25 63.514 49.460 17.714 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 62.296 49.211 16.827 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 64.642 50.160 17.108 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 64.050 48.012 18.201 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 65.313 47.777 18.757 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 65.452 48.564 19.498 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 65.975 47.995 17.919 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 65.504 46.332 19.339 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 66.487 46.293 19.808 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 64.544 46.184 20.333 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 63.980 44.872 20.190 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 64.367 44.217 20.970 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 62.489 44.969 20.226 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 61.825 45.775 19.365 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 62.402 46.528 18.850 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 60.457 45.698 19.146 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 59.946 46.365 18.466 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 59.816 44.705 19.896 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 58.589 44.492 19.692 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 58.044 43.730 20.069 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 58.209 45.017 18.918 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 60.429 43.914 20.718 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 61.789 44.019 20.937 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 62.379 43.162 21.583 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 65.475 45.212 18.320 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 65.016 45.651 17.435 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 64.452 44.213 18.888 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 63.669 44.020 18.154 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 65.027 42.969 19.199 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 65.418 42.608 18.399 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 66.839 44.717 18.053 1.00 0.00 SBOX O ATOM 595 P URA A 26 67.183 43.966 16.691 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 66.664 44.684 15.470 1.00 0.00 SBOX ATOM 597 O2P URA A 26 68.653 43.709 16.710 1.00 0.00 SBOX ATOM 598 O5' URA A 26 66.481 42.535 16.612 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 67.092 41.320 17.133 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 67.276 41.392 18.205 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 68.094 41.188 16.725 1.00 0.00 SBOX ATOM 602 C4' URA A 26 66.166 40.081 16.903 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 66.651 39.121 17.082 1.00 0.00 SBOX ATOM 604 O4' URA A 26 64.951 40.262 17.676 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 63.914 39.490 17.092 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 63.767 38.646 17.766 1.00 0.00 SBOX ATOM 607 N1 URA A 26 62.722 40.328 16.991 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 62.843 41.697 17.045 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 63.784 42.204 16.894 1.00 0.00 SBOX ATOM 610 C5 URA A 26 61.725 42.415 17.351 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 61.709 43.485 17.493 1.00 0.00 SBOX ATOM 612 C4 URA A 26 60.364 41.827 17.512 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 59.286 42.319 17.831 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 60.381 40.537 17.176 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 59.494 40.059 17.235 1.00 0.00 SBOX ATOM 616 C2 URA A 26 61.418 39.770 16.888 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 61.171 38.578 16.538 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 65.609 39.927 15.462 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 65.276 40.907 15.120 1.00 0.00 SBOX ATOM 620 C2' URA A 26 64.413 38.997 15.755 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 63.676 39.028 14.953 1.00 0.00 SBOX ATOM 622 O2' URA A 26 64.870 37.638 15.961 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 64.105 37.096 16.168 1.00 0.00 SBOX ATOM 624 O3' URA A 26 66.545 39.323 14.672 1.00 0.00 SBOX O ATOM 625 P GUA A 27 66.597 39.514 13.105 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 66.590 40.957 12.802 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 67.690 38.815 12.510 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 65.273 38.922 12.472 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 65.047 37.510 12.161 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 65.465 36.907 12.967 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 65.630 37.213 11.289 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 63.578 37.133 11.932 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 63.483 36.073 11.698 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 62.825 37.246 13.164 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 61.537 37.807 12.977 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 60.723 37.227 13.412 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 61.321 39.225 13.334 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 62.176 40.270 13.354 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 63.222 40.153 13.114 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 61.661 41.426 13.763 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 60.272 41.007 14.022 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 59.128 41.789 14.398 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 58.884 42.995 14.611 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 57.999 41.014 14.449 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 57.199 41.358 14.961 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 57.975 39.772 14.127 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 56.747 39.390 13.940 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 55.973 40.031 14.044 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 56.512 38.470 13.594 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 58.916 38.981 13.632 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 60.088 39.729 13.702 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 62.760 37.838 10.879 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 63.081 38.872 10.755 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 61.293 37.691 11.422 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 60.600 38.387 10.950 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 60.836 36.335 11.252 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 59.882 36.436 11.294 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 62.823 37.184 9.545 1.00 0.00 SBOX O ATOM 659 P GUA A 28 62.230 37.883 8.229 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 62.919 39.209 8.193 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 62.365 36.893 7.091 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 60.775 38.142 8.606 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 60.000 39.188 8.095 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 59.832 39.116 7.020 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 60.566 40.092 8.320 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 58.609 39.061 8.763 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 58.324 38.011 8.838 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 58.676 39.635 10.102 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 57.417 40.283 10.431 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 57.003 39.960 11.386 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 57.763 41.699 10.643 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 58.974 42.325 10.710 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 59.892 41.877 10.359 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 58.961 43.510 11.234 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 57.611 43.644 11.628 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 57.023 44.771 12.385 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 57.472 45.705 12.916 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 55.650 44.659 12.470 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 55.144 45.368 12.981 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 54.937 43.671 11.839 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 53.672 43.807 11.765 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 53.289 44.494 12.399 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 53.195 43.049 11.297 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 55.471 42.660 11.113 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 56.859 42.646 11.083 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 57.517 39.869 8.121 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 57.950 40.869 8.114 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 56.480 39.956 9.226 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 55.812 40.781 8.978 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 55.670 38.810 9.568 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 55.290 38.915 10.443 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 57.059 39.306 6.891 1.00 0.00 SBOX O ATOM 693 P CYT A 29 57.160 39.966 5.426 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 58.459 40.737 5.403 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 56.704 39.013 4.351 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 56.048 41.064 5.530 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 54.720 40.794 5.747 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 54.499 39.920 6.360 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 54.180 40.592 4.823 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 53.855 42.027 6.281 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 52.840 41.719 6.532 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 54.381 42.318 7.629 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 54.315 43.720 7.898 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 53.738 43.886 8.808 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 55.690 44.274 8.026 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 56.741 43.553 7.562 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 56.632 42.577 7.114 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 58.027 44.017 7.748 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 58.858 43.402 7.436 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 58.133 45.166 8.608 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 59.266 45.675 8.850 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 59.155 46.434 9.508 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 60.046 45.099 9.132 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 57.103 45.885 8.988 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 55.835 45.440 8.746 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 54.924 46.164 9.154 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 53.886 43.335 5.472 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 54.889 43.461 5.064 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 53.611 44.319 6.681 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 54.135 45.207 6.329 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 52.216 44.679 6.828 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 52.097 45.169 6.011 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 53.043 43.303 4.363 1.00 0.00 SBOX O ATOM 724 P CYT A 30 53.101 44.586 3.380 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 54.506 44.803 3.077 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 52.129 44.351 2.314 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 52.546 45.774 4.392 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 52.952 47.078 4.242 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 52.343 47.582 3.492 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 53.972 47.156 3.864 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 52.831 47.971 5.478 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 51.818 47.820 5.849 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 53.561 47.545 6.630 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 54.046 48.629 7.363 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 53.782 48.489 8.411 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 55.542 48.833 7.264 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 56.333 48.002 6.515 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 55.862 47.254 5.895 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 57.643 48.073 6.503 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 58.273 47.527 5.817 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 58.248 49.058 7.348 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 59.465 49.364 7.109 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 59.844 50.126 7.653 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 60.015 48.574 6.803 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 57.527 49.954 7.979 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 56.202 49.824 8.049 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 55.576 50.579 8.783 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 53.056 49.493 5.262 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 53.954 49.614 4.657 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 53.332 49.914 6.746 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 53.990 50.782 6.790 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 52.190 50.097 7.658 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 52.350 50.623 8.445 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 51.946 50.249 4.657 1.00 0.00 SBOX O ATOM 755 P CYT A 31 52.253 51.468 3.837 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 53.419 51.211 2.950 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 50.954 51.843 3.185 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 52.668 52.515 4.960 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 51.682 53.145 5.699 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 51.199 52.388 6.317 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 51.009 53.635 4.996 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 52.337 54.159 6.646 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 51.561 54.557 7.301 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 53.260 53.472 7.501 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 54.366 54.417 7.710 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 54.375 54.413 8.800 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 55.656 53.956 7.136 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 55.670 52.833 6.298 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 54.728 52.330 6.132 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 56.827 52.476 5.777 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 56.926 51.522 5.279 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 57.976 53.266 5.984 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 59.155 52.872 5.744 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 59.834 53.520 6.116 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 59.351 52.010 5.255 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 57.980 54.400 6.669 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 56.776 54.739 7.274 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 56.802 55.625 8.091 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 53.083 55.274 5.942 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 53.813 54.843 5.257 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 53.946 55.803 7.139 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 54.804 56.307 6.695 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 53.250 56.526 8.168 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 53.888 56.841 8.812 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 52.359 56.182 5.326 1.00 0.00 SBOX O ATOM 786 P GUA A 32 52.708 56.709 3.902 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 53.100 55.545 3.090 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 51.616 57.546 3.415 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 54.010 57.545 3.991 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 53.974 58.658 4.806 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 53.672 58.471 5.836 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 53.256 59.330 4.336 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 55.305 59.267 4.953 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 55.098 60.188 5.498 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 56.193 58.432 5.754 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 57.485 58.754 5.321 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 57.963 59.044 6.257 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 58.121 57.569 4.698 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 57.455 56.478 4.227 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 56.413 56.281 4.431 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 58.299 55.512 3.766 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 59.572 56.119 3.829 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 60.879 55.760 3.430 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 61.181 54.820 2.736 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 61.809 56.665 3.775 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 62.692 56.528 3.305 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 61.573 57.899 4.222 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 62.607 58.517 4.691 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 63.539 58.132 4.743 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 62.399 59.409 5.117 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 60.396 58.348 4.615 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 59.433 57.427 4.330 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 56.066 59.529 3.681 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 56.193 58.604 3.117 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 57.490 59.837 4.233 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 58.202 59.674 3.424 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 57.652 61.194 4.856 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 58.571 61.465 4.906 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 55.402 60.571 2.978 1.00 0.00 SBOX O ATOM 820 P ADE A 33 55.490 60.596 1.365 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 56.543 59.628 0.946 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 54.102 60.370 0.833 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 55.962 61.974 0.863 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 57.158 62.415 1.360 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 57.943 61.664 1.265 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 57.018 62.723 2.396 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 57.534 63.659 0.532 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 56.693 64.351 0.571 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 58.714 64.162 1.019 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 59.624 64.517 0.004 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 59.588 65.581 -0.228 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 61.009 64.064 0.413 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 62.140 64.833 0.249 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 62.159 65.764 -0.298 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 63.143 64.267 0.817 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 62.691 63.061 1.385 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 63.235 61.978 2.116 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 64.381 61.886 2.705 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 64.482 60.953 3.079 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 65.128 62.532 2.495 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 62.538 60.934 2.463 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 61.275 60.846 2.102 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 60.774 59.955 2.450 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 60.628 61.819 1.400 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 61.413 62.882 1.058 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 57.717 63.338 -0.934 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 57.703 62.250 -0.985 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 59.161 63.789 -1.277 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 59.727 62.879 -1.475 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 59.275 64.455 -2.563 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 58.555 65.088 -2.610 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 56.609 63.683 -1.729 1.00 0.00 SBOX O ATOM 853 P URA A 34 56.100 65.215 -2.102 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 57.302 66.016 -2.381 1.00 0.00 SBOX ATOM 855 O2P URA A 34 55.247 65.075 -3.334 1.00 0.00 SBOX ATOM 856 O5' URA A 34 55.269 65.813 -0.864 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 54.231 65.128 -0.244 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 54.370 65.224 0.833 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 54.372 64.054 -0.367 1.00 0.00 SBOX ATOM 860 C4' URA A 34 52.772 65.699 -0.515 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 52.879 66.749 -0.242 1.00 0.00 SBOX ATOM 862 O4' URA A 34 52.393 65.749 -1.914 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 51.161 65.115 -2.094 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 50.579 65.823 -2.684 1.00 0.00 SBOX ATOM 865 N1 URA A 34 51.083 63.849 -2.925 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 52.234 63.139 -3.390 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 53.212 63.382 -3.002 1.00 0.00 SBOX ATOM 868 C5 URA A 34 52.092 62.081 -4.238 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 52.968 61.587 -4.633 1.00 0.00 SBOX ATOM 870 C4 URA A 34 50.756 61.593 -4.622 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 50.580 60.653 -5.367 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 49.702 62.272 -4.040 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 48.799 62.019 -4.414 1.00 0.00 SBOX ATOM 874 C2 URA A 34 49.810 63.474 -3.365 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 48.824 64.189 -3.307 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 51.702 64.908 0.277 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 51.893 63.851 0.463 1.00 0.00 SBOX ATOM 878 C2' URA A 34 50.551 64.945 -0.691 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 50.015 63.999 -0.611 1.00 0.00 SBOX ATOM 880 O2' URA A 34 49.707 66.025 -0.384 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 49.725 66.157 0.567 1.00 0.00 SBOX ATOM 882 O3' URA A 34 51.450 65.501 1.565 1.00 0.00 SBOX O ATOM 883 P GUA A 35 52.109 65.144 2.931 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 51.099 65.355 3.986 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 52.764 63.810 2.686 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 53.264 66.241 3.047 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 54.009 66.439 4.257 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 53.357 66.357 5.126 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 54.469 67.426 4.201 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 54.992 65.310 4.481 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 54.480 64.380 4.727 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 55.863 65.200 3.355 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 57.200 65.473 3.725 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 57.928 64.758 3.344 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 57.527 66.840 3.231 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 56.789 67.671 2.488 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 55.758 67.474 2.234 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 57.378 68.707 2.011 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 58.690 68.490 2.414 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 59.898 69.234 2.170 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 60.052 70.299 1.560 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 61.123 68.602 2.467 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 61.977 69.036 2.148 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 61.145 67.327 2.944 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 62.296 66.797 3.223 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 63.197 67.227 3.071 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 62.259 65.947 3.768 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 60.093 66.623 3.336 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 58.860 67.220 2.975 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 55.839 65.699 5.653 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 55.786 66.757 5.911 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 57.301 65.396 5.208 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 57.985 66.196 5.490 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 57.805 64.116 5.507 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 57.111 63.557 5.867 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 55.554 64.959 6.805 1.00 0.00 SBOX O ATOM 917 P ADE A 36 56.268 65.224 8.222 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 57.190 66.390 8.163 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 55.282 65.143 9.334 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 57.052 63.876 8.402 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 56.425 62.567 8.330 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 56.172 62.331 7.296 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 55.536 62.607 8.959 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 57.227 61.395 8.878 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 56.457 60.625 8.917 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 58.370 61.002 8.139 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 59.542 61.073 9.020 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 60.191 60.221 8.818 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 60.254 62.361 8.858 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 59.924 63.342 7.971 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 59.063 63.393 7.322 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 60.796 64.302 7.953 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 61.861 63.807 8.712 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 63.147 64.278 9.004 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 63.602 65.415 8.625 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 64.568 65.579 8.870 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 63.141 65.956 7.908 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 63.968 63.566 9.774 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 63.518 62.487 10.256 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 64.251 61.936 10.827 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 62.371 61.843 9.970 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 61.552 62.589 9.186 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 57.706 61.657 10.360 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 57.952 62.703 10.546 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 59.040 60.922 10.455 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 59.721 61.396 11.163 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 58.925 59.447 10.662 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 58.344 59.220 11.392 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 56.777 61.226 11.382 1.00 0.00 SBOX O ATOM 950 P ADE A 37 56.728 61.845 12.906 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 56.219 63.225 12.838 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 55.816 61.009 13.678 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 58.180 61.974 13.554 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 58.865 60.860 14.052 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 58.733 59.969 13.438 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 58.334 60.659 14.982 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 60.335 60.994 14.437 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 60.714 60.031 14.781 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 61.095 61.319 13.263 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 62.108 62.240 13.645 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 63.080 61.802 13.416 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 61.838 63.505 12.956 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 60.747 63.932 12.210 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 59.815 63.389 12.157 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 60.879 65.136 11.642 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 62.192 65.478 12.157 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 63.018 66.674 12.022 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 62.806 67.645 11.328 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 63.427 68.436 11.420 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 61.931 67.794 10.847 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 64.177 66.761 12.663 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 64.543 65.709 13.376 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 65.563 65.738 13.730 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 63.988 64.511 13.532 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 62.767 64.531 12.938 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 60.670 61.965 15.601 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 60.012 62.831 15.536 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 62.116 62.382 15.186 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 62.307 63.417 15.473 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 63.001 61.370 15.736 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 62.523 61.021 16.491 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 60.542 61.336 16.890 1.00 0.00 SBOX O ATOM 983 P ADE A 38 60.019 62.154 18.204 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 58.596 62.478 18.048 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 60.530 61.418 19.476 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 60.854 63.508 18.068 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 62.163 63.577 18.558 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 62.834 62.847 18.105 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 62.119 63.416 19.635 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 62.750 64.978 18.437 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 63.648 65.037 19.052 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 63.047 65.350 17.099 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 62.699 66.654 16.924 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 63.489 67.243 16.458 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 61.535 66.832 15.987 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 60.533 65.963 15.795 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 60.462 65.052 16.370 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 59.699 66.335 14.867 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 60.156 67.576 14.498 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 59.674 68.640 13.667 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 58.559 68.595 13.008 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 58.248 69.399 12.483 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 58.069 67.712 13.036 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 60.322 69.794 13.593 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 61.384 70.000 14.381 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 61.987 70.851 14.102 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 61.967 69.093 15.200 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 61.267 67.920 15.221 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 61.793 66.035 18.960 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 60.790 65.729 18.663 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 62.266 67.293 18.252 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 61.423 67.974 18.135 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 63.362 67.916 18.808 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 63.439 67.673 19.734 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 62.036 66.262 20.365 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 60.883 66.394 21.408 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 59.656 65.625 21.045 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 61.568 66.312 22.745 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 60.593 68.000 21.088 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 61.437 68.978 21.583 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 62.433 68.613 21.330 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 61.339 69.079 22.664 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 61.251 70.374 20.955 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 62.053 71.089 21.144 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 61.273 70.236 19.558 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 60.438 71.214 18.974 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 60.920 72.037 18.445 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 59.603 70.513 18.016 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 59.095 69.285 18.174 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 59.334 68.687 19.041 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 58.108 68.843 17.328 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 57.536 67.943 17.500 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 57.657 69.658 16.287 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 56.642 69.296 15.582 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 56.110 69.945 15.021 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 56.320 68.360 15.779 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 58.111 70.812 16.133 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 59.075 71.238 16.931 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 59.399 72.407 16.672 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 59.871 70.943 21.355 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 59.166 70.114 21.421 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 59.571 71.677 20.087 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 58.500 71.572 19.917 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 59.841 73.018 20.251 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 59.026 73.425 20.553 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 59.898 71.755 22.521 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 58.670 72.259 23.289 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 57.746 71.127 23.446 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 59.351 72.840 24.458 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 57.893 73.320 22.357 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 58.211 74.704 22.354 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 59.294 74.780 22.255 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 57.989 75.125 23.335 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 57.395 75.419 21.302 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 57.598 76.489 21.354 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 57.535 74.791 20.007 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 56.297 74.994 19.372 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 56.507 75.651 18.527 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 55.670 73.646 18.960 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 56.067 72.452 19.539 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 56.680 72.423 20.427 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 55.604 71.255 19.086 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 55.850 70.299 19.524 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 54.716 71.331 17.979 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 54.361 70.274 17.326 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 53.781 70.467 16.523 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 54.752 69.363 17.521 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 54.297 72.405 17.402 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 54.826 73.589 17.835 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 54.598 74.610 17.219 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 55.872 75.369 21.681 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 55.610 74.349 21.964 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 55.304 75.687 20.301 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 54.338 75.196 20.181 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 55.302 77.040 20.048 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 55.340 77.616 20.815 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 55.602 76.297 22.771 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 54.457 75.982 23.787 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 54.655 74.637 24.373 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 54.283 77.167 24.723 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 53.179 75.963 22.927 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 52.604 77.180 22.388 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 53.345 77.923 22.094 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 52.067 77.653 23.210 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 51.641 76.933 21.195 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 51.386 77.853 20.670 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 52.295 76.099 20.283 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 51.347 75.197 19.614 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 51.318 75.277 18.527 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 51.501 73.728 19.921 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 52.331 73.308 20.958 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 52.797 73.955 21.687 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 52.567 72.001 20.998 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 53.192 71.651 21.806 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 52.008 71.136 20.056 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 52.449 69.949 19.980 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 51.910 69.319 19.403 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 52.822 69.545 20.827 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 51.188 71.549 19.110 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 50.975 72.859 18.929 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 50.306 73.196 17.954 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 50.352 76.173 21.546 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 50.566 75.376 22.257 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 49.999 75.624 20.196 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 49.221 74.869 20.311 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 49.425 76.651 19.246 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 50.058 77.217 18.800 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 49.337 76.961 22.141 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 48.113 76.292 22.947 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 48.705 75.491 24.083 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 47.123 77.311 23.316 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 47.353 75.253 21.947 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 46.478 75.701 20.946 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 47.041 76.304 20.233 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 45.662 76.233 21.435 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 45.956 74.469 20.166 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 45.162 74.717 19.462 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 46.985 73.734 19.409 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 46.795 72.424 19.604 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 46.939 71.973 18.622 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 47.685 71.734 20.547 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 48.455 72.192 21.553 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 48.430 73.198 21.945 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 49.153 71.272 22.189 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 48.862 70.136 21.472 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 49.375 68.727 21.587 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 50.312 68.212 22.289 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 48.588 67.849 20.938 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 48.753 66.858 21.036 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 47.660 68.156 20.086 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 47.244 67.173 19.467 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 47.637 66.273 19.701 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 46.635 67.314 18.673 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 47.226 69.407 19.781 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 47.855 70.386 20.516 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 45.228 73.469 21.045 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 45.893 73.374 21.903 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 45.344 72.249 20.144 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 45.240 71.314 20.694 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 44.423 72.226 19.033 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 44.057 71.342 18.961 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 43.920 73.889 21.405 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 43.021 73.234 22.601 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 43.794 73.340 23.829 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 41.608 73.771 22.698 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 42.987 71.665 22.183 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 42.064 71.083 21.198 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 42.266 71.508 20.214 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 41.054 71.273 21.560 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 42.313 69.568 21.075 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 41.722 69.138 20.266 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 43.734 69.368 20.916 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 44.157 68.146 21.499 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 44.513 67.488 20.706 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 45.261 68.330 22.437 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 45.619 69.482 23.123 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 45.132 70.434 22.971 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 46.730 69.320 23.865 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 46.946 67.903 23.803 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 47.827 67.022 24.541 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 48.736 67.328 25.262 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 47.510 65.701 24.407 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 48.174 65.050 24.801 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 46.536 65.199 23.556 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 46.401 63.913 23.540 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 47.042 63.382 24.111 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 45.717 63.435 22.972 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 45.677 65.954 22.812 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 46.002 67.269 22.964 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 41.949 68.744 22.285 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 42.256 69.285 23.180 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 42.888 67.553 22.086 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 42.991 66.993 23.016 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 42.374 66.689 21.119 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 42.170 65.851 21.541 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 40.531 68.470 22.337 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 39.891 67.849 23.577 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 40.462 68.684 24.662 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 38.426 67.916 23.374 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 40.349 66.378 23.759 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 40.048 65.260 22.930 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 40.182 65.493 21.873 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 38.985 65.031 23.004 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 40.889 64.035 23.255 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 40.758 63.372 22.399 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 42.337 64.361 23.379 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 42.915 63.467 24.300 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 43.643 62.808 23.828 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 43.557 64.355 25.359 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 43.216 65.677 25.604 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 42.333 66.050 25.106 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 44.065 66.425 26.370 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 43.969 67.485 26.553 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 45.269 65.834 26.876 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 46.253 66.509 27.304 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 47.122 66.023 27.472 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 46.209 67.518 27.312 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 45.504 64.542 26.792 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 44.670 63.854 26.035 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 44.900 62.646 26.030 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 40.545 63.396 24.613 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 40.534 64.206 25.343 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 41.781 62.617 24.764 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 41.768 62.361 25.823 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 41.764 61.371 24.065 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 42.363 60.702 24.403 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 39.369 62.625 24.637 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 38.720 62.147 25.949 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 38.236 63.340 26.673 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 37.741 61.120 25.556 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 39.820 61.356 26.834 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 40.331 60.087 26.564 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 40.747 59.965 25.564 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 39.561 59.377 26.866 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 41.406 59.824 27.605 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 41.868 58.841 27.515 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 42.448 60.755 27.488 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 42.899 61.233 28.683 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 43.983 61.146 28.761 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 42.568 62.691 28.831 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 41.361 63.335 28.727 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 40.486 62.784 28.417 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 41.489 64.595 28.773 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 42.838 64.820 29.201 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 43.694 65.863 29.588 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 43.399 67.144 29.702 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 44.156 67.665 30.120 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 42.425 67.412 29.707 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 45.000 65.716 29.956 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 45.459 64.511 30.028 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 46.481 64.350 30.337 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 44.753 63.416 29.655 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 43.472 63.605 29.256 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 41.002 59.730 29.117 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 40.200 60.427 29.361 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 42.263 60.339 29.789 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 42.074 60.917 30.694 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 43.204 59.295 30.097 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 43.774 59.598 30.807 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 40.615 58.434 29.590 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 39.912 58.234 31.045 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 38.763 59.142 31.068 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 39.591 56.808 31.227 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 40.904 58.783 32.215 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 41.886 58.019 32.819 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 42.549 57.705 32.013 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 41.603 57.124 33.373 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 42.695 58.885 33.722 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 43.607 58.462 34.141 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 43.135 59.990 32.981 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 42.753 61.183 33.635 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 43.634 61.815 33.745 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 41.735 62.026 32.975 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 40.395 61.812 32.543 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 39.866 60.899 32.774 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 39.799 62.934 32.057 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 40.797 63.936 32.255 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 40.860 65.301 32.257 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 39.792 66.141 31.901 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 40.031 67.097 31.680 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 39.033 65.691 31.409 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 41.998 65.895 32.562 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 43.051 65.284 32.956 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 43.886 65.892 33.270 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 43.144 63.995 33.118 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 41.939 63.346 32.743 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 41.989 59.323 34.968 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 40.921 59.267 34.759 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 42.312 60.815 35.030 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 41.480 61.395 35.428 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 43.370 61.112 36.009 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 43.128 60.716 36.850 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 42.341 58.688 36.233 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 42.743 57.147 36.519 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 42.269 56.914 37.915 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 42.449 56.213 35.467 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 44.266 57.310 36.682 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 45.082 56.309 37.082 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 45.262 55.637 36.243 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 44.797 55.757 37.977 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 46.541 56.737 37.451 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 46.997 55.846 37.883 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 47.382 57.146 36.317 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 48.142 58.336 36.659 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 49.211 58.163 36.531 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 47.705 59.617 35.956 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 46.551 59.630 35.194 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 45.927 58.753 35.282 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 46.351 60.761 34.472 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 45.422 60.834 33.926 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 47.141 61.873 34.721 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 46.771 63.013 34.154 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 47.384 63.811 34.244 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 46.025 63.025 33.473 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 48.289 61.922 35.356 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 48.555 60.745 35.990 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 49.605 60.676 36.593 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 46.510 57.881 38.388 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 45.781 58.607 38.026 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 47.975 58.434 38.210 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 48.099 59.480 38.492 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 48.995 57.550 38.675 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 49.878 57.823 38.415 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 46.239 57.294 39.599 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 45.707 58.105 40.803 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 44.698 59.029 40.289 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 45.404 57.123 41.884 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 46.894 59.027 41.264 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 48.048 58.582 41.907 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 48.535 57.768 41.371 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 47.886 58.408 42.971 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 49.044 59.784 41.772 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 50.022 59.425 42.092 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 49.387 60.195 40.452 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 49.737 61.581 40.539 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 50.698 61.772 40.062 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 48.734 62.388 39.784 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 47.567 61.800 39.419 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 47.253 60.790 39.638 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 46.871 62.434 38.451 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 45.983 62.058 37.964 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 47.254 63.734 38.010 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 46.583 64.436 37.205 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 46.868 65.327 36.824 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 45.875 63.921 36.702 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 48.288 64.367 38.532 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 49.066 63.694 39.372 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 50.029 64.285 39.876 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 48.739 61.053 42.601 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 47.747 61.480 42.453 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 49.796 62.029 41.971 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 49.516 63.071 42.124 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 51.059 61.712 42.486 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 51.726 62.074 41.898 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 48.916 60.854 44.009 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 48.050 61.458 45.198 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 46.613 61.419 44.789 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 48.353 60.834 46.478 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 48.533 62.969 45.241 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 49.862 63.310 45.596 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 50.568 62.681 45.053 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 50.056 63.192 46.662 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 50.107 64.779 45.259 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 51.157 64.977 45.473 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 49.977 65.052 43.858 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 49.359 66.335 43.648 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 50.018 66.950 43.035 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 48.150 66.111 42.867 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 47.420 64.924 42.627 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 47.550 64.079 43.287 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 46.556 65.019 41.590 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 46.649 66.345 41.221 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 46.012 67.199 40.337 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 45.235 66.832 39.334 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 44.816 67.553 38.765 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 45.219 65.872 39.020 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 46.158 68.516 40.317 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 46.987 69.010 41.213 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 47.189 70.061 41.067 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 47.780 68.346 42.045 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 47.544 66.998 41.996 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 49.130 65.827 45.919 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 48.165 65.337 46.049 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 49.092 67.031 44.941 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 48.084 67.437 45.025 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 50.067 68.072 45.236 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 49.964 68.383 46.139 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 49.622 66.192 47.145 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 48.633 66.688 48.241 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 47.647 65.668 48.464 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 49.411 67.252 49.405 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 47.977 68.045 47.616 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 46.547 68.126 47.416 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 46.105 68.318 48.394 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 46.110 67.252 46.933 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 46.050 69.279 46.630 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 46.409 70.280 46.870 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 46.260 69.043 45.235 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 45.097 69.592 44.505 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 45.301 70.432 43.841 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 44.530 68.480 43.681 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 44.430 67.161 43.899 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 44.836 66.739 44.807 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 43.686 66.467 43.033 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 43.248 67.437 42.198 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 42.346 67.379 41.042 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 41.724 66.449 40.607 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 42.135 68.578 40.536 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 41.596 68.703 39.691 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 42.525 69.781 41.119 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 42.213 70.842 40.402 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 41.721 70.784 39.522 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 42.477 71.724 40.818 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 43.351 69.875 42.134 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 43.664 68.645 42.621 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 44.585 69.308 46.850 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 44.229 68.286 46.719 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 44.090 70.064 45.580 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 43.085 69.705 45.360 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 44.105 71.445 45.639 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 43.406 71.757 45.060 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 44.228 69.970 48.123 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 43.421 69.159 49.239 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 43.913 67.781 49.174 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 43.311 69.888 50.518 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 42.037 69.168 48.445 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 41.034 68.142 48.631 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 40.953 67.864 49.682 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 41.376 67.206 48.190 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 39.604 68.536 48.170 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 39.038 67.605 48.171 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 38.978 69.480 48.992 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 38.564 70.649 48.189 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 37.572 70.947 48.528 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 39.496 71.769 48.454 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 40.567 71.806 49.295 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 40.857 70.901 49.808 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 41.125 72.987 49.387 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 40.363 73.762 48.461 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 40.345 75.091 48.045 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 41.220 75.997 48.488 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 41.132 76.936 48.125 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 41.938 75.618 49.089 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 39.462 75.598 47.214 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 38.554 74.726 46.758 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 37.881 75.132 46.017 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 38.499 73.401 46.949 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 39.449 73.026 47.834 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 39.639 69.067 46.747 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 40.622 69.467 46.498 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 38.567 70.166 46.736 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 38.722 70.955 45.999 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 37.302 69.492 46.627 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 37.450 68.798 45.980 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 39.395 67.983 45.896 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 39.975 67.940 44.419 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 41.348 68.369 44.504 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 39.646 66.630 43.876 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 39.002 69.001 43.771 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 39.044 69.427 42.357 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 38.791 68.572 41.729 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 40.040 69.697 42.007 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 38.090 70.579 42.073 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 37.166 70.186 41.650 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 37.787 71.191 43.294 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 38.146 72.558 43.168 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 37.433 73.222 43.654 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 39.524 72.893 43.615 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 40.420 71.981 44.218 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 40.295 70.925 44.407 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 41.484 72.587 44.720 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 41.303 73.916 44.442 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 41.981 75.119 44.768 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 43.013 75.248 45.570 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 43.313 76.203 45.705 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 43.435 74.431 45.987 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 41.503 76.253 44.455 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 40.402 76.318 43.720 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 39.885 77.266 43.697 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 39.702 75.292 43.267 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 40.153 74.094 43.733 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 38.603 71.622 41.036 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 39.693 71.616 41.013 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 38.053 72.920 41.655 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 38.578 73.791 41.263 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 36.677 73.152 41.380 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 36.655 72.791 40.491 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 38.003 71.335 39.754 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 38.815 71.697 38.402 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 40.021 70.873 38.525 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 37.912 71.480 37.270 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 39.327 73.215 38.445 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 38.562 74.309 38.143 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 37.634 74.390 38.709 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 38.232 74.275 37.104 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 39.261 75.703 38.408 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 38.625 76.455 37.942 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 39.424 76.021 39.797 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 40.741 76.570 40.010 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 40.685 77.483 40.603 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 41.637 75.532 40.599 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 41.705 74.147 40.392 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 41.042 73.510 39.827 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 42.755 73.580 40.948 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 43.440 74.664 41.468 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 44.683 74.863 42.155 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 45.595 73.897 42.354 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 46.468 74.293 42.672 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 45.565 73.163 41.661 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 45.131 76.119 42.475 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 44.367 77.181 42.239 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 44.735 78.147 42.549 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 43.201 77.159 41.651 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 42.780 75.899 41.308 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 40.595 76.003 37.645 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 41.174 75.089 37.777 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 41.159 77.026 38.640 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 42.237 77.150 38.543 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 40.642 78.261 38.276 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 40.955 78.420 37.383 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 40.522 76.485 36.333 1.00 0.00 SBOX O ATOM 1502 P URA A 54 41.216 75.729 35.117 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 40.619 74.387 34.970 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 41.086 76.635 33.950 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 42.777 75.582 35.528 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 43.464 76.680 36.047 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 42.833 77.286 36.696 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 43.932 77.225 35.226 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 44.469 76.095 37.017 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 44.943 76.970 37.462 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 43.846 75.263 37.967 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 44.762 74.368 38.466 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 45.084 74.841 39.394 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 44.399 72.950 38.339 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 43.438 72.550 37.372 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 42.926 73.286 36.771 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 43.326 71.233 37.154 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 42.698 70.790 36.395 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 44.072 70.270 37.962 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 43.925 69.038 37.866 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 45.127 70.707 38.682 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 45.593 70.052 39.293 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 45.270 72.020 39.030 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 46.011 72.289 39.978 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 45.589 75.246 36.445 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 45.180 74.483 35.782 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 46.028 74.562 37.665 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 46.407 73.580 37.382 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 47.007 75.260 38.410 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 47.819 75.165 37.908 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 46.487 75.994 35.617 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 47.689 75.314 34.866 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 47.187 74.197 34.066 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 48.529 76.351 34.111 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 48.596 74.712 36.012 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 49.681 75.344 36.781 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 49.212 76.189 37.287 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 50.397 75.739 36.061 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 50.285 74.306 37.686 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 50.979 74.807 38.361 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 49.300 73.563 38.348 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 49.730 72.210 38.591 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 49.799 72.017 39.661 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 48.812 71.257 37.947 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 47.946 71.440 36.905 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 47.718 72.360 36.387 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 47.277 70.357 36.580 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 47.889 69.340 37.357 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 47.647 67.912 37.320 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 47.053 67.210 36.571 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 48.491 67.286 38.194 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 48.510 66.276 38.182 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 49.373 67.876 39.036 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 50.154 66.998 39.593 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 49.943 66.013 39.527 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 50.795 67.349 40.291 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 49.604 69.139 39.084 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 48.800 69.875 38.227 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 51.057 73.244 36.950 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 50.489 72.841 36.111 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 51.173 72.145 38.042 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 51.395 71.148 37.661 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 51.865 72.446 39.245 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 52.207 71.614 39.582 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 52.261 73.794 36.376 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 53.188 73.104 35.367 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 52.464 72.936 34.113 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 54.531 73.727 35.377 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 53.416 71.650 35.944 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 54.287 71.379 37.066 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 53.895 71.923 37.925 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 55.282 71.735 36.798 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 54.347 69.875 37.386 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 55.114 69.814 38.159 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 53.198 69.301 37.962 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 53.097 67.918 37.588 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 53.117 67.254 38.452 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 51.881 67.721 36.767 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 51.187 68.612 35.986 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 51.502 69.642 35.912 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 50.226 68.016 35.355 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 50.281 66.653 35.708 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 49.509 65.472 35.362 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 48.478 65.341 34.777 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 50.068 64.282 35.733 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 49.467 63.486 35.573 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 51.115 64.203 36.574 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 51.278 63.049 37.030 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 50.622 62.356 36.701 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 51.933 62.891 37.783 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 51.752 65.199 37.047 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 51.400 66.431 36.511 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 54.735 69.050 36.165 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 54.007 69.397 35.431 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 54.313 67.661 36.729 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 54.119 67.035 35.858 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 55.212 66.980 37.539 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 55.188 66.051 37.298 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 56.039 69.025 35.611 1.00 0.00 SBOX O ATOM 1600 P URA A 57 56.195 68.858 34.072 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 55.766 70.093 33.346 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 57.559 68.201 33.997 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 55.120 67.750 33.713 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 55.165 66.813 32.699 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 56.050 67.002 32.093 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 54.277 66.921 32.076 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 55.275 65.346 33.271 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 56.167 65.276 33.894 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 54.156 65.048 34.082 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 53.589 63.772 33.747 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 53.549 63.158 34.646 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 52.274 63.848 33.083 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 51.849 65.012 32.559 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 52.369 65.958 32.585 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 50.626 64.963 31.928 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 50.293 65.859 31.427 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 49.754 63.803 31.901 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 48.674 63.704 31.352 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 50.272 62.682 32.537 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 49.925 61.741 32.425 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 51.497 62.683 33.136 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 51.824 61.614 33.600 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 55.317 64.273 32.210 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 54.649 64.548 31.394 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 54.763 63.119 32.995 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 54.340 62.417 32.276 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 55.676 62.534 33.941 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 55.909 61.632 33.712 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 56.548 63.896 31.612 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 56.595 63.272 30.218 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 56.566 64.429 29.249 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 57.802 62.418 30.250 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 55.253 62.339 29.900 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 55.275 60.953 30.355 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 55.514 60.980 31.418 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 56.076 60.347 29.933 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 53.990 60.275 30.044 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 53.971 59.269 30.465 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 52.885 60.851 30.647 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 51.844 60.948 29.730 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 50.901 60.641 30.183 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 51.523 62.277 29.181 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 52.315 63.386 29.060 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 53.359 63.412 29.335 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 51.668 64.486 28.767 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 50.379 63.961 28.487 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 49.109 64.586 28.163 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 48.784 65.749 28.220 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 48.135 63.700 27.747 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 47.263 64.050 27.375 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 48.353 62.368 27.654 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 47.177 61.869 27.286 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 46.494 62.512 26.912 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 47.081 60.883 27.090 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 49.411 61.691 28.145 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 50.332 62.604 28.582 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 53.736 60.115 28.513 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 53.957 61.038 27.977 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 52.250 60.050 28.541 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 51.935 60.394 27.556 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 51.832 58.755 28.890 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 52.644 58.323 28.616 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 54.313 58.960 27.935 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 54.944 59.114 26.505 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 55.571 60.488 26.415 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 55.845 57.946 26.330 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 53.687 59.075 25.547 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 52.828 57.913 25.530 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 52.700 57.359 26.460 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 53.278 57.115 24.941 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 51.428 58.370 24.981 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 50.780 57.493 24.945 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 50.790 59.342 25.798 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 49.945 60.094 24.897 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 48.885 60.090 25.151 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 50.397 61.493 24.882 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 51.710 61.839 25.223 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 52.402 61.028 25.394 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 51.985 63.168 25.317 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 52.965 63.444 25.677 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 50.927 64.074 25.181 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 51.221 65.362 25.239 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 50.387 65.927 25.168 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 52.137 65.763 25.384 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 49.700 63.827 24.856 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 49.414 62.520 24.624 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 48.304 62.131 24.327 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 51.425 58.878 23.584 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 52.162 59.680 23.532 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 50.012 59.522 23.475 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 49.874 60.280 22.704 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 48.999 58.537 23.374 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 48.129 58.906 23.204 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 51.574 57.883 22.546 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 52.019 58.343 21.127 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 53.166 59.264 21.230 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 52.093 57.179 20.239 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 50.789 59.161 20.482 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 49.570 58.534 20.104 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 49.141 58.231 21.059 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 49.670 57.727 19.379 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 48.550 59.545 19.615 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 47.556 59.191 19.342 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 48.296 60.467 20.633 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 48.037 61.734 20.012 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 47.009 62.041 20.203 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 48.855 62.789 20.649 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 50.203 62.516 20.843 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 50.538 61.547 20.503 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 51.060 63.372 21.324 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 52.108 63.120 21.386 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 50.602 64.655 21.707 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 51.376 65.584 22.151 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 50.968 66.495 22.301 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 52.296 65.334 22.484 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 49.344 64.996 21.488 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 48.528 64.135 20.926 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 47.412 64.527 20.606 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 49.153 60.281 18.395 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 50.226 60.435 18.505 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 48.328 61.589 18.526 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 48.934 62.455 18.259 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 47.147 61.589 17.772 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 47.456 61.351 16.895 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 48.772 59.538 17.225 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 49.208 59.941 15.801 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 48.261 61.044 15.468 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 50.689 60.094 15.754 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 48.844 58.687 14.829 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 48.906 57.318 15.347 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 48.228 57.241 16.197 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 49.908 56.980 15.611 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 48.247 56.518 14.281 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 47.277 56.959 14.052 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 49.036 56.594 13.114 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 48.964 55.327 12.474 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 48.525 55.451 11.483 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 50.252 54.635 12.403 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 51.373 55.101 12.946 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 51.348 55.977 13.577 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 52.466 54.372 12.663 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 51.958 53.416 11.794 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 52.505 52.427 10.926 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 53.750 52.243 10.700 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 54.139 51.452 10.206 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 54.361 52.809 11.270 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 51.807 51.652 10.154 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 50.512 51.928 10.107 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 49.951 51.274 9.456 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 49.815 52.869 10.754 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 50.611 53.556 11.608 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 48.082 55.068 14.599 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 48.984 54.682 15.074 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 47.900 54.487 13.188 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 48.119 53.420 13.146 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 46.707 54.784 12.422 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 46.270 55.523 12.852 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 46.976 54.823 15.467 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 46.754 53.628 16.451 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 47.967 53.616 17.218 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 45.470 53.750 17.225 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 46.707 52.307 15.557 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 45.576 51.992 14.749 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 45.268 52.904 14.237 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 44.755 51.650 15.379 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 45.984 50.924 13.690 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 45.089 50.764 13.090 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 46.967 51.378 12.838 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 47.939 50.352 12.677 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 47.999 50.288 11.591 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 49.291 50.588 13.344 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 49.672 51.409 14.336 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 48.930 52.062 14.771 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 50.993 51.387 14.595 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 51.435 50.509 13.598 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 52.682 49.921 13.315 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 53.882 50.221 13.861 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 54.720 49.769 13.523 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 53.940 50.886 14.618 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 52.841 48.950 12.339 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 51.743 48.630 11.694 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 51.830 47.777 11.037 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 50.526 49.146 11.859 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 50.431 50.026 12.866 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 46.460 49.630 14.324 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 47.061 49.923 15.185 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 47.370 48.992 13.288 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 48.010 48.304 13.841 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 46.686 48.357 12.213 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 46.243 47.541 12.456 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 45.274 48.987 14.727 1.00 0.00 SBOX O ATOM 1792 P URA A 63 45.315 47.695 15.593 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 43.926 47.291 15.767 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 46.173 46.786 14.864 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 45.956 47.831 17.051 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 45.384 48.782 17.972 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 44.573 49.341 17.504 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 46.168 49.500 18.212 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 45.051 48.164 19.385 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 44.378 48.880 19.856 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 44.414 46.945 19.159 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 45.190 45.943 19.878 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 44.901 45.851 20.925 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 45.177 44.608 19.181 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 45.595 44.586 17.887 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 45.543 45.489 17.298 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 45.775 43.355 17.291 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 46.074 43.389 16.254 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 45.745 42.161 17.981 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 45.879 41.060 17.461 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 45.286 42.208 19.254 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 45.264 41.395 19.852 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 45.074 43.438 19.914 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 44.728 43.363 21.109 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 46.179 47.981 20.381 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 47.062 48.611 20.281 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 46.612 46.547 19.971 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 47.102 46.599 18.999 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 47.539 45.911 20.785 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 47.883 45.158 20.299 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 45.749 48.104 21.736 1.00 0.00 SBOX O ATOM 1822 P URA A 64 46.105 49.462 22.572 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 45.988 50.647 21.706 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 45.418 49.532 23.854 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 47.587 49.182 23.047 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 48.671 49.904 22.593 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 48.693 50.842 23.148 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 48.527 50.050 21.523 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 50.061 49.218 22.753 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 50.913 49.798 22.399 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 50.330 48.887 24.100 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 51.425 47.956 24.105 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 52.394 48.455 24.098 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 51.359 46.950 25.161 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 50.123 46.562 25.621 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 49.247 47.020 25.185 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 50.076 45.746 26.714 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 49.124 45.605 27.204 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 51.311 45.163 27.261 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 51.396 44.548 28.314 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 52.449 45.380 26.578 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 53.230 44.830 26.905 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 52.520 46.262 25.473 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 53.619 46.360 24.898 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 50.240 47.942 22.006 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 49.442 47.237 22.240 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 51.472 47.293 22.748 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 51.342 46.223 22.907 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 52.733 47.488 22.227 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 52.660 48.064 21.462 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 50.193 48.145 20.620 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 50.885 49.300 19.777 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 50.316 50.566 20.042 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 52.354 49.142 20.073 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 50.584 49.008 18.318 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 49.276 48.936 17.788 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 48.949 49.873 17.337 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 48.560 48.586 18.532 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 49.340 47.918 16.691 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 48.282 47.734 16.500 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 50.099 48.426 15.505 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 50.598 47.222 14.897 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 50.253 47.136 13.867 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 52.131 47.318 14.928 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 52.787 48.079 15.901 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 52.354 48.717 16.657 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 54.120 47.997 15.933 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 54.544 48.441 16.821 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 54.820 47.034 15.086 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 56.077 47.085 15.058 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 56.671 46.427 14.575 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 56.427 47.821 15.655 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 54.192 46.318 14.198 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 52.850 46.483 14.040 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 52.323 45.776 13.192 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 49.904 46.555 17.030 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 50.914 46.679 17.421 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 49.994 46.033 15.586 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 50.603 45.130 15.523 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 48.822 45.772 14.840 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 48.107 46.300 15.202 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 49.130 45.819 17.997 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 49.786 44.497 18.667 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 51.066 44.794 19.288 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 48.728 43.832 19.450 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 50.203 43.525 17.403 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 49.270 42.731 16.734 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 48.532 43.246 16.120 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 48.768 42.079 17.450 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 50.014 41.864 15.716 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 49.287 41.301 15.131 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 50.906 42.593 14.858 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 52.111 41.792 14.711 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 52.268 41.588 13.651 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 53.354 42.434 15.218 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 53.349 43.421 16.177 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 52.428 43.890 16.493 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 54.576 43.930 16.533 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 54.608 44.653 17.334 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 55.743 43.486 15.892 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 56.830 44.034 16.081 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 57.664 43.695 15.623 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 56.788 44.734 16.807 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 55.701 42.428 15.125 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 54.531 41.966 14.757 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 54.519 41.077 13.913 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 50.895 40.828 16.399 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 51.350 41.314 17.263 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 51.857 40.479 15.292 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 52.754 40.008 15.693 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 51.176 39.591 14.275 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 50.588 39.068 14.825 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 50.053 39.679 16.776 1.00 0.00 SBOX O ATOM 1914 P URA A 67 50.205 39.072 18.231 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 50.360 40.096 19.293 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 49.210 37.945 18.242 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 51.679 38.460 18.061 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 51.878 37.265 17.269 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 51.412 37.369 16.289 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 51.537 36.356 17.764 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 53.440 36.951 17.077 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 53.567 36.063 16.458 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 54.015 38.196 16.537 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 55.319 38.403 17.173 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 56.021 38.262 16.351 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 55.414 39.645 17.917 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 54.315 40.414 18.234 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 53.352 39.937 18.127 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 54.396 41.691 18.739 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 53.560 42.372 18.798 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 55.686 42.249 18.889 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 55.894 43.432 19.271 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 56.808 41.422 18.625 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 57.692 41.902 18.713 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 56.678 40.198 18.104 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 57.714 39.544 17.838 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 54.165 36.649 18.366 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 53.624 37.110 19.192 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 55.526 37.328 18.204 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 55.785 37.794 19.155 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 56.485 36.418 17.653 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 56.737 35.846 18.382 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 54.262 35.236 18.497 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 54.618 34.548 19.783 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 54.139 35.365 20.938 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 54.249 33.160 19.729 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 56.269 34.581 19.848 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 57.086 33.598 19.226 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 56.800 33.482 18.181 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 56.924 32.646 19.731 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 58.539 33.938 19.398 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 59.179 33.324 18.765 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 58.847 35.206 18.911 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 59.835 35.888 19.735 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 60.673 36.281 19.160 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 59.193 37.065 20.402 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 57.919 37.166 20.923 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 57.342 36.257 21.001 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 57.498 38.405 21.165 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 58.623 39.204 20.874 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 58.787 40.619 20.963 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 57.937 41.419 21.294 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 60.063 40.989 20.712 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 60.199 41.981 20.843 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 61.080 40.180 20.358 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 62.233 40.666 20.010 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 62.485 41.580 20.358 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 62.918 39.933 19.896 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 60.906 38.889 20.131 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 59.682 38.371 20.449 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 59.071 33.920 20.802 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 58.350 34.451 21.423 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 60.307 34.896 20.747 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 60.427 35.225 21.779 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 61.594 34.500 20.278 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 61.728 33.641 20.687 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 59.303 32.589 21.343 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 60.456 31.538 20.989 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 60.143 30.898 19.711 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 61.795 32.172 21.160 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 60.253 30.514 22.261 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 60.966 30.684 23.494 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 61.445 31.659 23.582 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 61.765 29.943 23.508 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 60.050 30.411 24.674 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 60.596 29.992 25.520 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 59.423 31.599 25.146 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 58.085 31.220 25.694 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 58.041 31.436 26.762 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 56.966 31.819 25.009 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 57.125 32.431 23.767 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 58.109 32.513 23.329 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 56.022 32.993 23.167 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 56.070 33.526 22.229 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 54.831 33.009 23.899 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 53.941 33.783 23.460 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 52.995 33.769 23.815 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 54.124 34.306 22.616 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 54.638 32.394 24.986 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 55.682 31.768 25.554 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 55.501 31.081 26.552 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 58.984 29.352 24.416 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 58.541 29.577 23.446 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 58.013 29.684 25.594 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 57.029 29.337 25.279 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 58.376 29.155 26.855 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 57.568 29.027 27.357 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 59.497 28.045 24.690 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 58.783 26.719 24.101 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 58.517 27.012 22.701 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 59.698 25.645 24.432 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 57.361 26.550 24.903 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 57.243 26.162 26.281 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 58.031 26.692 26.816 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 57.474 25.111 26.450 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 55.985 26.452 26.844 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 56.107 26.071 27.858 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 55.618 27.814 26.882 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 54.204 27.809 26.972 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 53.839 28.368 27.833 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 53.674 28.418 25.718 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 54.344 28.613 24.552 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 55.311 28.173 24.357 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 53.610 29.334 23.712 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 52.420 29.574 24.395 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 51.258 30.364 24.145 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 51.084 31.197 23.169 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 50.276 31.801 23.108 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 51.814 31.213 22.471 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 50.330 30.447 25.119 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 50.462 29.767 26.242 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 49.706 29.953 26.991 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 51.492 28.930 26.586 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 52.419 28.977 25.635 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 54.826 25.646 26.301 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 54.821 25.717 25.214 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 53.666 26.474 26.894 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 52.835 26.376 26.195 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 53.270 26.224 28.236 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 52.405 25.811 28.179 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 54.772 24.242 26.616 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 53.749 23.273 25.884 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 53.755 23.790 24.504 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 54.124 21.889 26.123 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 52.272 23.593 26.483 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 51.996 23.355 27.828 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 52.829 23.734 28.420 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 52.029 22.295 28.079 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 50.666 23.931 28.196 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 50.593 23.809 29.277 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 50.582 25.361 27.944 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 49.258 25.679 27.538 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 48.816 26.442 28.179 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 49.325 26.291 26.109 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 50.377 26.257 25.196 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 51.258 25.654 25.354 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 50.134 26.910 24.068 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 48.930 27.510 24.331 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 48.085 28.348 23.448 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 48.285 28.855 22.320 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 46.889 28.620 24.040 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 46.306 29.246 23.503 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 46.411 28.101 25.227 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 45.225 28.353 25.612 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 44.538 28.770 25.001 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 44.945 27.916 26.479 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 47.157 27.361 26.032 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 48.356 27.053 25.534 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 49.440 23.328 27.437 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 49.742 23.375 26.391 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 48.427 24.425 27.673 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 47.677 24.371 26.884 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 47.719 24.456 28.919 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 47.105 25.176 28.758 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 48.978 22.041 27.813 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 48.819 20.954 26.676 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 50.018 21.004 25.838 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 48.514 19.705 27.378 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 47.562 21.385 25.873 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 46.295 21.436 26.583 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 46.490 21.815 27.586 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 45.870 20.433 26.541 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 45.212 22.349 26.038 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 44.331 22.165 26.653 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 45.423 23.767 26.043 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 44.956 24.365 24.788 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 44.322 25.228 24.993 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 46.028 24.825 23.838 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 47.227 24.246 23.840 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 47.496 23.507 24.580 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 48.169 24.619 22.868 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 49.130 24.142 22.745 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 47.775 25.561 21.849 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 48.549 25.956 20.920 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 48.117 26.766 20.499 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 49.528 26.054 21.146 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 46.573 26.088 21.844 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 45.656 25.743 22.807 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 44.585 26.334 22.810 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 44.812 21.994 24.599 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 45.750 21.980 24.043 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 44.127 23.271 24.136 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 44.122 23.332 23.047 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 42.876 23.599 24.727 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 42.686 24.443 24.309 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 44.159 20.763 24.423 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 44.242 19.996 23.051 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 45.587 20.185 22.405 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 43.692 18.639 23.231 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 43.259 20.835 22.036 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 41.920 21.046 22.421 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 41.743 21.520 23.387 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 41.376 20.102 22.462 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 41.293 21.989 21.327 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 40.249 22.194 21.561 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 41.916 23.257 21.323 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 41.995 23.756 19.990 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 41.568 24.758 19.954 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 43.394 23.827 19.555 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 44.517 23.110 19.970 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 44.431 22.297 20.676 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 45.659 23.447 19.431 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 45.341 24.491 18.610 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 46.176 25.332 17.707 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 47.368 25.378 17.530 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 45.439 26.284 17.050 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 45.935 26.902 16.423 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 44.049 26.359 17.092 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 43.497 27.253 16.345 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 44.018 27.574 15.542 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 42.497 27.125 16.280 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 43.282 25.618 17.878 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 43.983 24.719 18.625 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 41.397 21.485 19.891 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 42.378 21.016 19.819 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 41.251 22.848 19.014 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 41.734 22.719 18.045 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 39.917 23.286 18.918 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 39.836 23.739 18.076 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 40.463 20.443 19.611 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 40.986 19.234 18.784 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 41.986 18.433 19.516 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 39.776 18.520 18.268 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 41.670 20.049 17.584 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 42.990 19.918 17.322 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 43.367 18.906 17.468 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 43.560 20.568 17.987 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 43.314 20.270 15.899 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 42.346 20.364 15.407 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 43.772 21.650 15.849 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 44.826 21.721 14.865 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 44.645 22.406 14.036 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 46.106 22.161 15.514 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 46.733 21.671 16.594 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 46.318 21.034 17.361 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 47.959 22.120 16.797 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 48.116 23.020 15.780 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 49.338 23.595 15.200 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 50.432 23.583 15.709 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 49.174 24.355 14.109 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 49.990 24.719 13.638 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 47.990 24.394 13.391 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 48.118 24.947 12.299 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 49.001 25.289 11.949 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 47.237 24.957 11.805 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 46.853 23.751 13.792 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 46.952 23.102 14.969 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 44.396 19.379 15.152 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 45.213 19.127 15.828 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 44.930 20.393 14.113 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 45.955 20.057 13.955 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 44.243 20.403 12.938 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 44.811 20.758 12.250 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 43.831 18.153 14.624 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 44.768 16.812 14.278 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 45.350 16.272 15.559 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 43.852 15.882 13.601 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 45.880 17.168 13.207 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 46.944 16.308 12.868 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 46.467 15.397 12.505 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 47.592 16.072 13.712 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 47.708 16.855 11.656 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 48.666 16.338 11.622 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 47.026 16.448 10.462 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 47.140 17.528 9.538 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 47.408 17.182 8.540 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 45.919 18.185 9.448 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 44.826 17.917 10.210 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 44.867 17.362 11.136 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 43.686 18.377 9.742 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 44.085 19.091 8.564 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 43.373 19.841 7.549 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 42.055 19.803 7.470 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 41.692 20.204 6.617 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 41.559 19.261 8.163 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 44.043 20.368 6.536 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 45.342 20.255 6.562 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 45.859 20.524 5.653 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 46.134 19.581 7.430 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 45.449 18.968 8.400 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 48.065 18.349 11.587 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 47.338 18.983 12.096 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 48.241 18.377 10.032 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 48.031 19.411 9.762 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 49.538 17.905 9.633 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 50.234 18.000 10.288 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 49.353 18.517 12.272 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 49.846 19.787 13.017 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 48.882 20.169 14.000 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 51.215 19.385 13.384 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 50.003 21.033 12.004 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 51.176 21.104 11.121 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 51.539 20.118 10.832 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 51.988 21.625 11.629 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 50.629 21.852 9.854 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 51.421 21.940 9.109 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 49.523 21.206 9.224 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 48.578 22.259 8.723 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 48.399 22.101 7.659 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 47.215 22.147 9.448 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 46.965 21.695 10.751 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 47.743 21.457 11.461 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 45.752 21.879 11.121 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 45.099 22.346 9.974 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 43.753 22.780 9.586 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 42.667 22.711 10.338 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 41.819 22.956 9.848 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 42.606 22.304 11.260 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 43.505 23.351 8.378 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 44.543 23.473 7.544 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 44.324 23.961 6.606 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 45.799 23.128 7.723 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 46.012 22.586 9.004 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 50.178 23.309 10.101 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 49.639 23.365 11.047 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 49.176 23.637 8.966 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 48.332 24.253 9.275 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 49.762 24.059 7.755 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 50.563 24.524 8.011 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 51.324 24.075 10.134 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 51.464 25.443 10.772 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 50.965 25.316 12.161 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 52.849 25.894 10.483 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 50.416 26.295 9.932 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 50.676 26.894 8.730 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 51.092 26.134 8.068 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 51.432 27.663 8.886 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 49.478 27.517 8.018 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 49.874 27.867 7.065 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 48.406 26.679 7.701 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 47.196 27.442 7.670 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 46.697 27.139 6.749 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 46.474 26.915 8.808 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 46.913 26.587 10.034 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 47.956 26.695 10.293 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 46.003 26.018 10.797 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 44.798 26.216 10.059 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 43.412 26.098 10.278 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 42.902 25.586 11.348 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 41.901 25.447 11.372 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 43.322 25.030 12.079 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 42.428 26.400 9.408 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 42.914 26.824 8.238 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 42.149 27.181 7.564 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 44.175 27.132 7.918 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 45.093 26.778 8.853 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 48.921 28.795 8.572 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 48.684 28.454 9.580 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 47.595 28.939 7.771 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 46.966 29.691 8.248 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 47.757 29.310 6.380 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 46.962 29.818 6.203 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 49.939 29.812 8.741 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 49.811 31.301 9.398 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 50.935 31.332 10.382 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 49.908 32.316 8.308 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 48.494 31.621 10.212 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 47.252 31.964 9.587 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 47.427 31.681 8.549 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 47.132 33.044 9.671 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 46.023 31.305 10.251 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 45.178 31.468 9.583 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 46.158 29.904 10.393 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 45.476 29.408 11.602 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 44.698 28.684 11.360 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 46.413 28.942 12.616 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 47.748 29.417 12.660 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 48.031 30.079 11.855 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 48.541 28.980 13.677 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 49.572 29.302 13.698 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 47.940 28.001 14.546 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 48.693 27.454 15.461 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 48.137 26.704 15.845 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 49.676 27.666 15.555 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 46.711 27.567 14.542 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 45.902 28.039 13.585 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 44.771 27.571 13.550 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 45.621 31.819 11.608 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 46.464 31.933 12.290 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 44.701 30.665 12.030 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 44.483 30.721 13.096 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 43.490 30.641 11.319 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 42.780 30.210 11.800 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 44.889 33.147 11.637 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 44.872 34.068 12.917 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 46.227 34.372 13.424 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 44.087 35.266 12.544 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 44.065 33.302 14.000 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 42.646 32.984 13.831 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 42.561 32.574 12.825 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 42.017 33.873 13.874 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 42.279 32.056 14.998 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 41.269 31.699 14.797 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 43.099 30.896 15.049 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 42.954 30.348 16.374 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 42.398 29.412 16.337 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 44.284 30.182 17.076 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 45.518 30.382 16.558 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 45.722 30.921 15.645 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 46.464 29.854 17.280 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 45.832 29.360 18.439 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 46.339 28.567 19.514 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 47.472 28.163 19.770 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 45.440 28.207 20.433 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 45.833 27.454 20.979 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 44.105 28.441 20.162 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 43.313 27.715 20.863 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 43.686 27.223 21.662 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 42.345 27.989 20.783 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 43.556 29.221 19.265 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 44.494 29.574 18.325 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 42.432 32.646 16.393 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 43.380 33.139 16.610 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 42.166 31.366 17.233 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 42.675 31.488 18.189 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 40.787 31.027 17.267 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 40.654 30.306 17.887 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 41.326 33.526 16.591 1.00 0.00 SBOX O ATOM 2339 P URA A 80 41.608 34.760 17.549 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 42.923 35.354 17.179 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 40.403 35.557 17.457 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 41.721 34.215 19.015 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 40.592 33.840 19.765 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 39.811 33.299 19.230 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 40.123 34.733 20.179 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 41.168 33.107 20.975 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 40.263 32.688 21.414 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 41.960 31.920 20.720 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 42.999 31.764 21.714 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 42.917 30.816 22.245 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 44.426 31.822 21.170 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 44.691 32.531 20.010 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 43.920 33.032 19.443 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 45.977 32.484 19.561 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 46.193 33.145 18.735 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 47.101 31.852 20.195 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 48.250 31.965 19.844 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 46.772 31.249 21.391 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 47.514 31.011 22.033 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 45.473 31.170 21.794 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 45.334 30.578 22.841 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 41.904 33.917 22.022 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 42.541 34.594 21.452 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 42.641 32.783 22.747 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 43.487 33.219 23.277 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 41.862 31.980 23.606 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 42.242 31.999 24.487 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 41.014 34.563 22.946 1.00 0.00 SBOX O ATOM 2369 P URA A 81 41.493 35.638 24.055 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 42.278 36.588 23.240 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 40.398 36.072 24.877 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 42.381 34.715 25.096 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 41.771 33.919 26.180 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 40.866 33.393 25.874 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 41.360 34.584 26.940 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 42.685 32.963 26.950 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 41.955 32.486 27.604 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 43.339 32.036 26.128 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 44.540 31.662 26.782 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 44.589 30.593 26.990 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 45.622 32.226 25.861 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 45.593 33.366 25.082 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 44.805 34.092 25.223 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 46.536 33.580 24.117 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 46.491 34.454 23.484 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 47.652 32.682 23.907 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 48.565 32.797 23.055 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 47.679 31.700 24.890 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 48.565 31.229 25.005 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 46.851 31.507 25.954 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 47.244 30.899 26.942 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 43.648 33.655 27.829 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 44.307 34.400 27.381 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 44.523 32.446 28.088 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 45.543 32.812 28.206 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 44.011 31.488 29.043 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 44.737 30.927 29.324 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 43.098 34.183 29.026 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 43.828 35.380 29.703 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 43.962 36.410 28.652 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 43.253 35.795 31.023 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 45.220 34.807 30.095 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 45.216 33.892 31.116 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 44.428 33.152 30.975 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 44.983 34.454 32.020 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 46.588 33.178 31.321 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 46.516 32.545 32.205 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 46.963 32.367 30.213 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 48.329 32.458 30.051 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 48.780 31.466 30.097 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 48.564 32.984 28.676 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 47.929 33.999 27.951 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 46.981 34.326 28.352 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 48.540 34.331 26.853 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 49.692 33.615 26.846 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 50.800 33.569 25.975 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 50.959 34.140 24.870 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 51.850 32.782 26.398 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 52.586 32.627 25.723 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 51.883 32.209 27.588 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 52.974 31.581 27.866 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 53.759 31.609 27.232 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 52.977 31.107 28.758 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 50.879 32.201 28.402 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 49.782 32.837 27.989 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 47.739 34.137 31.533 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 47.665 35.001 30.872 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 48.961 33.406 31.132 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 49.714 34.095 30.749 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 49.318 32.557 32.214 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 49.522 33.089 32.987 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 47.669 34.639 32.874 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 48.653 35.772 33.432 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 48.744 36.845 32.442 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 48.302 36.178 34.770 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 50.022 35.013 33.494 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 51.237 35.687 33.218 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 51.523 36.293 34.078 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 51.142 36.362 32.367 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 52.381 34.767 32.873 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 52.433 34.040 33.683 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 52.116 33.988 31.713 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 53.284 34.072 30.909 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 53.565 33.096 30.512 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 53.050 35.023 29.780 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 51.891 35.718 29.446 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 51.239 35.926 30.282 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 51.866 36.219 28.246 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 53.063 35.681 27.683 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 53.796 35.886 26.477 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 53.403 36.525 25.455 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 54.040 36.542 24.671 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 52.447 36.788 25.261 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 54.988 35.390 26.308 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 55.504 34.653 27.282 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 56.470 34.230 27.046 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 54.936 34.395 28.458 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 53.770 34.996 28.643 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 53.748 35.466 32.791 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 53.544 36.427 32.320 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 54.400 34.540 31.790 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 55.122 35.017 31.127 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 55.200 33.480 32.416 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 55.927 33.300 31.815 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 54.511 35.604 33.892 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 55.271 36.970 34.125 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 54.428 38.069 33.751 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 55.906 37.032 35.462 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 56.401 37.151 33.060 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 57.531 36.263 32.958 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 57.186 35.248 33.158 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 58.163 36.521 33.807 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 58.226 36.346 31.574 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 59.142 35.755 31.597 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 57.344 35.975 30.471 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 57.670 36.819 29.400 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 58.022 36.223 28.558 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 56.460 37.595 29.185 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 55.263 37.741 29.875 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 55.109 37.164 30.774 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 54.437 38.609 29.479 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 55.027 39.010 28.203 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 54.673 39.887 27.173 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 53.546 40.566 26.991 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 53.412 41.037 26.107 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 52.840 40.635 27.710 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 55.380 39.934 26.053 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 56.543 39.237 26.013 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 57.110 39.341 25.099 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 57.093 38.550 27.023 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 56.229 38.349 28.011 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 58.753 37.701 31.279 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 57.941 38.411 31.437 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 58.912 37.681 29.783 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 58.894 38.665 29.315 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 60.063 36.911 29.310 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 60.022 36.882 28.351 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 59.811 38.153 32.098 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 59.997 39.698 32.507 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 58.750 40.154 33.037 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 61.204 39.880 33.304 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 60.307 40.499 31.197 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 61.334 40.199 30.337 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 61.269 39.138 30.094 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 62.309 40.475 30.739 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 61.096 40.965 29.054 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 61.984 40.862 28.430 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 59.925 40.424 28.468 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 59.202 41.459 27.776 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 59.088 41.282 26.707 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 57.846 41.516 28.500 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 57.398 41.086 29.731 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 57.912 40.375 30.360 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 56.181 41.369 30.080 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 55.867 42.210 28.986 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 54.752 42.931 28.498 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 53.600 43.024 29.116 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 52.970 43.665 28.655 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 53.497 42.654 30.050 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 54.746 43.623 27.364 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 55.851 43.661 26.590 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 55.884 44.254 25.687 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 57.009 43.063 26.873 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 56.929 42.362 28.068 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 60.849 42.490 29.201 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 60.222 42.555 30.091 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 60.054 42.708 27.978 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 59.455 43.616 28.042 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 60.851 42.728 26.781 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 60.512 43.382 26.165 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 62.052 43.198 29.319 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 62.215 44.562 30.148 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 61.765 44.278 31.498 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 63.576 45.020 29.975 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 61.275 45.640 29.407 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 61.660 46.046 28.117 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 62.032 45.222 27.509 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 62.370 46.851 28.307 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 60.516 46.798 27.349 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 60.713 47.016 26.300 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 59.471 45.912 27.506 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 58.212 46.617 27.457 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 57.585 46.373 26.600 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 57.410 46.256 28.706 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 57.729 45.452 29.788 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 58.751 45.105 29.838 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 56.708 45.264 30.589 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 55.633 45.934 29.982 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 54.216 46.089 30.274 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 53.517 45.609 31.163 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 53.530 46.902 29.385 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 52.546 47.086 29.520 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 54.111 47.474 28.346 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 53.399 48.387 27.695 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 52.459 48.485 28.051 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 53.990 48.952 27.101 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 55.379 47.453 28.031 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 56.044 46.549 28.824 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 59.965 48.095 28.019 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 59.837 47.810 29.063 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 58.547 48.115 27.440 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 57.887 48.669 28.108 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 58.576 48.502 26.054 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 57.683 48.762 25.820 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 60.824 49.178 27.865 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 60.799 50.386 28.748 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 60.870 49.925 30.191 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 61.851 51.312 28.358 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 59.374 51.034 28.568 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 58.988 51.628 27.398 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 59.058 50.886 26.602 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 59.571 52.523 27.181 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 57.545 52.031 27.428 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 57.256 52.453 26.465 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 56.589 50.923 27.718 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 55.457 51.446 28.412 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 54.570 51.381 27.782 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 55.299 50.613 29.691 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 56.294 49.841 30.337 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 57.274 49.906 29.887 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 55.796 49.185 31.394 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 54.433 49.561 31.436 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 53.294 49.240 32.236 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 53.198 48.564 33.350 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 52.226 48.523 33.619 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 53.991 48.417 33.958 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 52.110 49.855 32.071 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 52.084 50.771 31.079 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 51.083 51.165 30.988 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 53.001 51.275 30.348 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 54.181 50.558 30.495 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 57.230 53.049 28.501 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 57.661 52.671 29.428 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 55.669 52.948 28.636 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 55.307 53.171 29.640 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 54.974 53.609 27.658 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 54.020 53.561 27.749 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 57.806 54.363 28.214 1.00 0.00 SBOX O ATOM 2599 P URA A 88 58.470 55.207 29.394 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 59.207 54.399 30.321 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 59.087 56.479 28.904 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 57.135 55.627 30.131 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 56.162 56.329 29.436 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 55.820 55.760 28.572 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 56.631 57.269 29.147 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 54.968 56.486 30.416 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 54.349 57.215 29.894 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 54.253 55.244 30.482 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 53.534 55.230 31.687 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 52.468 55.310 31.473 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 54.013 54.038 32.553 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 55.239 53.470 32.366 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 55.890 53.792 31.566 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 55.574 52.305 32.963 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 56.501 51.814 32.707 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 54.705 51.708 34.008 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 54.996 50.701 34.575 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 53.465 52.323 34.138 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 52.814 51.955 34.817 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 53.219 53.540 33.536 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 52.245 54.191 33.926 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 55.252 56.928 31.888 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 56.011 56.247 32.273 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 53.807 56.588 32.399 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 53.727 56.485 33.481 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 52.869 57.563 31.985 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 53.165 58.447 32.212 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 55.702 58.334 32.070 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 56.243 58.724 33.507 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 57.088 57.614 33.985 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 56.800 60.059 33.554 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 54.993 58.606 34.525 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 54.001 59.684 34.612 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 53.679 59.954 33.607 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 54.230 60.639 35.085 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 52.817 59.150 35.425 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 51.959 59.821 35.383 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 52.504 57.750 35.047 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 52.303 56.961 36.275 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 51.304 56.531 36.345 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 53.302 55.892 36.427 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 54.568 55.712 35.821 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 55.063 56.449 35.206 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 55.115 54.517 36.017 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 54.217 53.980 36.994 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 54.049 52.742 37.690 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 54.924 51.797 37.679 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 52.927 52.569 38.483 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 53.012 51.812 39.147 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 52.201 53.631 38.785 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 51.372 53.486 39.749 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 51.350 52.618 40.266 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 50.620 54.157 39.814 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 52.101 54.750 38.129 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 53.128 54.841 37.214 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 53.315 59.007 36.822 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 54.369 58.747 36.925 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 52.503 57.878 37.427 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 53.090 57.462 38.246 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 51.249 58.491 37.847 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 51.459 59.396 38.087 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 53.067 60.174 37.543 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 53.949 60.905 38.646 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 55.308 60.945 37.985 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 53.201 62.100 39.017 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 53.895 59.837 39.825 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 52.767 59.639 40.699 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 51.846 59.718 40.122 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 52.748 60.410 41.470 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 52.692 58.247 41.516 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 51.754 58.207 42.070 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 52.641 57.165 40.679 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 53.286 56.083 41.387 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 52.601 55.248 41.527 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 54.476 55.696 40.574 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 55.162 56.511 39.691 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 55.038 57.567 39.506 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 56.194 55.903 39.208 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 56.207 54.620 39.710 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 57.016 53.554 39.512 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 58.011 53.481 38.672 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 58.416 52.558 38.600 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 58.349 54.274 38.145 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 56.686 52.345 40.020 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 55.668 52.378 40.846 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 55.583 51.430 41.356 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 54.891 53.285 41.291 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 55.177 54.497 40.613 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 53.908 58.021 42.498 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 54.877 58.221 42.041 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 53.644 56.531 42.727 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 54.522 56.002 43.095 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 52.522 56.195 43.568 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 52.065 56.997 43.832 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 53.582 58.932 43.577 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 54.528 59.604 44.525 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 55.675 60.142 43.685 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 53.749 60.554 45.351 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 55.051 58.428 45.387 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 54.274 57.816 46.390 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 53.318 57.537 45.947 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 54.013 58.425 47.256 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 55.006 56.633 46.978 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 54.459 56.107 47.760 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 55.015 55.754 45.863 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 56.084 54.807 45.913 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 55.662 53.828 46.139 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 56.858 54.776 44.622 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 57.167 55.704 43.641 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 56.800 56.718 43.702 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 57.845 55.224 42.619 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 58.041 53.886 42.933 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 58.809 52.807 42.334 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 59.600 52.823 41.354 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 58.748 51.604 43.081 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 59.428 50.905 42.819 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 58.266 51.547 44.300 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 58.434 50.424 45.044 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 58.779 49.608 44.559 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 58.011 50.485 45.959 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 57.608 52.537 44.895 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 57.594 53.688 44.187 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 56.413 56.672 47.338 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 56.964 57.442 46.797 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 57.013 55.315 46.967 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 58.017 55.509 46.591 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 57.024 54.316 48.023 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 57.685 54.585 48.665 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 56.471 57.000 48.766 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 57.865 57.316 49.468 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 58.577 58.344 48.729 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 57.564 57.542 50.878 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 58.771 55.914 49.520 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 60.139 55.868 49.194 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 60.723 56.254 50.030 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 60.325 56.448 48.290 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 60.478 54.436 48.876 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 60.199 53.790 49.708 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 59.789 53.985 47.682 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 60.689 53.256 46.790 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 60.177 52.315 46.590 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 60.856 53.948 45.484 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 60.454 55.210 45.188 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 59.906 55.742 45.952 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 60.832 55.742 44.003 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 60.474 56.731 43.759 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 61.455 54.898 43.052 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 61.867 55.459 41.961 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 62.373 54.891 41.296 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 61.727 56.446 41.801 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 61.705 53.703 43.298 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 61.510 53.200 44.523 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 61.760 52.011 44.662 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 61.992 54.322 48.555 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 62.309 55.146 47.916 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 61.923 53.019 47.752 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 62.794 52.851 47.119 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 61.628 51.774 48.417 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 61.711 51.139 47.701 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 62.621 54.299 49.797 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 64.165 54.725 49.885 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 64.318 55.916 49.096 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 64.615 54.685 51.293 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 64.870 53.561 49.090 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 64.925 52.217 49.587 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 63.934 51.885 49.896 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 65.606 52.091 50.429 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 65.495 51.269 48.537 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 65.526 50.273 48.977 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 64.741 51.219 47.417 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 65.623 51.005 46.314 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 65.405 50.050 45.836 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 65.508 52.120 45.280 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 65.028 53.317 45.615 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 64.794 53.495 46.654 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 64.912 54.303 44.683 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 64.604 55.331 44.799 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 65.081 53.949 43.375 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 64.936 54.801 42.420 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 65.069 54.490 41.469 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 64.645 55.703 42.770 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 65.424 52.765 42.981 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 65.722 51.839 43.941 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 66.210 50.746 43.639 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 66.954 51.653 48.123 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 66.968 52.725 47.930 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 67.062 50.895 46.819 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 67.820 51.362 46.190 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 67.327 49.492 46.938 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 67.502 49.181 46.047 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 67.880 51.204 49.069 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 73.610 52.116 46.308 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 74.017 52.709 45.673 1.00 0.00 SBOX ATOM 2794 P ADE A 94 69.262 52.024 49.352 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 68.892 53.454 49.647 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 70.122 51.209 50.271 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 69.929 51.876 47.942 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 70.609 50.811 47.421 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 69.980 49.921 47.385 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 71.399 50.539 48.121 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 71.270 51.083 46.038 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 71.812 50.189 45.730 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 70.181 51.439 45.168 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 70.584 52.457 44.251 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 70.504 51.974 43.277 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 69.633 53.612 44.428 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 69.042 54.163 45.513 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 69.163 53.733 46.496 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 68.382 55.233 45.280 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 68.534 55.389 43.924 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 68.015 56.306 42.910 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 67.151 57.308 43.011 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 66.675 57.467 42.135 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 66.757 57.479 43.926 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 68.351 56.150 41.592 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 69.089 55.086 41.237 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 69.301 54.960 40.186 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 69.667 54.235 42.036 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 69.335 54.424 43.378 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 72.225 52.259 46.036 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 71.923 53.095 46.668 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 72.061 52.733 44.591 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 72.262 53.801 44.505 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 72.860 51.926 43.698 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 72.584 52.237 42.833 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 58.674 10.914 13.119 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 58.848 10.396 13.904 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 57.820 10.608 12.814 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 53.205 65.871 52.326 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 53.873 65.638 51.681 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 52.435 66.097 51.803 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 46.684 33.995 7.126 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 47.507 34.393 7.409 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 46.017 34.410 7.672 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 85.299 38.346 22.501 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 85.705 38.375 21.634 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 85.482 39.205 22.880 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 25.285 79.202 32.989 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 25.850 78.486 32.698 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 25.008 79.634 32.181 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 43.844 57.077 28.813 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 43.547 57.798 29.368 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 44.708 57.352 28.506 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 26.536 39.481 24.558 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 27.074 39.772 25.295 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 27.144 39.437 23.820 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 85.718 54.780 5.857 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 86.046 54.062 6.399 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 84.768 54.754 5.974 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 55.858 48.277 21.516 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 56.085 49.010 20.944 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 55.937 47.504 20.958 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 60.700 89.399 -6.056 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 61.465 89.418 -6.631 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 60.194 88.644 -6.355 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 63.047 24.257 38.882 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 63.217 24.930 38.222 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 62.250 23.822 38.581 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 76.691 21.324 0.166 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 76.868 20.387 0.248 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 77.543 21.741 0.289 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 56.634 36.394 24.574 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 56.193 36.012 25.332 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 55.923 36.721 24.022 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 52.663 54.968 26.148 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 52.716 54.093 26.532 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 52.658 54.816 25.203 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 30.858 64.278 -11.625 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 31.297 63.952 -10.839 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 31.445 64.044 -12.343 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 53.132 44.176 46.902 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 53.895 44.661 47.217 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 53.248 44.137 45.952 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 29.357 56.112 25.840 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 30.051 56.753 25.682 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 29.627 55.340 25.343 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 59.118 36.515 16.192 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 59.569 37.331 16.411 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 58.335 36.518 16.743 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 45.260 51.901 19.347 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 46.044 51.367 19.215 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 45.336 52.603 18.701 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 48.269 32.501 42.566 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 48.333 33.260 43.146 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 48.151 32.876 41.693 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 26.424 77.522 45.504 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 27.313 77.186 45.618 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 26.489 78.452 45.720 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 50.779 54.160 55.540 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 50.228 54.861 55.890 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 50.811 54.328 54.598 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 68.628 47.747 24.113 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 67.909 48.016 23.542 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 69.029 48.568 24.398 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 26.249 9.979 -9.037 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 25.827 10.499 -9.721 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 25.526 9.541 -8.588 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 25.822 25.050 65.886 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 25.185 25.103 65.174 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 26.672 25.029 65.446 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 44.127 24.916 13.805 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 44.208 25.854 13.635 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 45.030 24.598 13.831 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 70.378 26.233 19.082 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 70.151 26.573 18.217 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 69.771 26.671 19.679 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 72.265 32.335 19.603 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 71.563 32.700 20.142 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 72.920 33.032 19.559 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 62.930 40.142 -10.018 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 62.662 40.986 -9.655 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 63.633 39.845 -9.441 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 24.325 7.389 36.050 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 24.339 6.443 35.908 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 24.777 7.754 35.290 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 32.620 25.521 26.393 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 32.898 25.465 27.307 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 33.350 25.952 25.947 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 81.616 30.799 -15.784 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 82.486 30.496 -16.045 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 81.714 31.746 -15.679 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 77.509 65.212 28.229 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 77.666 65.264 27.286 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 76.961 64.434 28.337 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 68.572 13.378 54.654 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 69.198 14.094 54.770 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 67.822 13.784 54.219 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 54.513 37.167 22.882 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 54.451 36.501 22.197 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 54.641 37.988 22.408 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 63.665 27.702 31.692 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 64.195 27.884 30.916 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 63.005 28.395 31.700 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 43.298 57.119 -6.690 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 42.653 57.638 -6.210 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 43.618 56.482 -6.051 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 88.420 11.955 -1.752 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 88.498 12.189 -2.677 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 87.479 11.853 -1.608 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 45.379 69.767 17.505 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 45.384 68.813 17.422 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 46.217 69.976 17.917 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 50.077 55.235 19.531 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 50.373 54.727 18.775 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 50.700 55.958 19.593 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 28.347 6.388 28.688 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 28.813 7.190 28.450 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 27.754 6.228 27.955 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 49.528 52.793 21.182 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 49.633 53.510 20.557 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 50.113 52.107 20.861 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 26.421 21.136 -12.458 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 25.522 21.462 -12.504 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 26.700 21.327 -11.563 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 73.160 49.862 19.535 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 72.944 50.777 19.714 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 72.331 49.469 19.261 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 83.037 0.254 42.709 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 82.249 0.606 43.123 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 82.825 0.225 41.776 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 53.284 28.243 20.563 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 53.389 29.104 20.966 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 52.646 27.794 21.117 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 61.769 49.846 -2.427 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 61.007 49.275 -2.530 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 61.601 50.327 -1.617 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 68.003 52.941 54.443 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 67.815 53.050 53.511 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 67.288 53.395 54.888 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 35.170 91.290 8.508 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 35.749 90.896 9.160 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 34.530 91.782 9.022 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 41.291 66.840 63.050 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 41.648 65.966 62.889 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 42.059 67.412 63.075 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 66.141 76.328 66.958 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 66.432 75.476 66.634 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 66.942 76.847 67.025 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 57.208 69.293 25.215 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 56.711 68.512 24.970 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 57.280 69.795 24.403 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 57.172 50.844 24.330 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 56.981 51.244 23.482 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 56.795 49.966 24.271 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 52.693 54.604 23.408 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 53.123 54.191 22.659 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 52.998 55.511 23.391 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 39.465 34.418 37.460 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 39.650 34.374 36.521 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 39.206 35.327 37.611 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 63.197 27.227 10.378 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 62.299 27.380 10.672 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 63.686 27.985 10.696 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 48.963 20.357 46.273 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 48.833 19.411 46.337 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 48.312 20.730 46.868 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 48.213 55.013 25.297 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 47.502 55.300 24.723 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 48.941 54.829 24.704 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 62.326 45.864 33.675 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 62.202 45.343 32.882 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 61.674 46.562 33.609 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 73.816 69.107 17.402 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 72.887 69.334 17.374 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 73.832 68.195 17.693 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 80.066 49.051 31.116 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 80.664 49.588 30.597 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 79.368 48.812 30.506 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 44.895 67.179 17.694 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 44.665 66.801 16.845 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 44.761 66.466 18.318 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 24.777 15.149 -0.903 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 25.416 15.422 -0.245 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 23.986 14.948 -0.402 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 80.923 62.479 60.934 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 79.968 62.446 60.976 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 81.213 61.754 61.488 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 30.230 39.377 19.147 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 30.114 40.327 19.183 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 30.498 39.135 20.034 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 55.910 40.139 32.790 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 55.316 39.388 32.787 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 55.685 40.626 31.998 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 34.794 29.617 41.502 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 35.476 30.287 41.557 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 34.028 30.082 41.165 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 51.272 45.312 10.394 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 51.400 44.465 9.967 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 50.886 45.096 11.243 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 25.822 21.332 36.978 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 25.759 20.812 37.779 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 26.083 22.203 37.278 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 85.090 15.884 63.750 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 85.884 15.394 63.962 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 84.624 15.959 64.583 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 47.564 42.357 26.629 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 47.880 41.465 26.490 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 48.225 42.914 26.218 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 34.014 75.855 -14.700 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 33.555 76.524 -14.191 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 34.290 75.207 -14.051 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 58.920 54.622 32.923 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 58.930 55.570 32.794 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 59.004 54.259 32.041 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 33.664 60.237 12.601 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 33.983 60.122 13.496 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 34.456 60.242 12.063 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 77.151 34.372 -15.610 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 77.521 35.232 -15.806 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 77.417 33.822 -16.348 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 44.820 66.362 -8.270 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 43.960 66.005 -8.047 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 45.436 65.848 -7.749 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 20.629 80.342 11.005 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 20.618 79.391 11.121 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 20.457 80.692 11.879 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 40.818 48.000 28.384 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 41.402 47.292 28.112 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 41.051 48.735 27.817 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 52.522 56.141 15.761 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 51.737 55.715 16.106 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 53.107 55.418 15.536 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 73.758 5.560 42.355 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 73.234 5.082 41.712 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 73.113 5.967 42.934 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 67.817 86.971 58.949 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 68.287 87.802 58.877 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 67.531 86.778 58.056 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 83.542 65.806 29.132 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 82.839 65.579 28.524 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 83.997 66.536 28.710 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 35.465 87.158 60.993 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 34.672 87.323 61.504 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 36.113 87.762 61.355 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 67.470 67.459 47.962 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 67.040 66.647 48.230 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 67.654 67.337 47.031 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 30.254 30.869 36.219 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 29.691 31.350 35.613 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 30.736 31.548 36.690 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 41.062 50.443 26.766 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 41.108 51.324 27.136 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 41.615 50.481 25.985 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 23.312 61.169 -13.061 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 23.295 61.892 -12.434 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 23.185 61.586 -13.913 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 49.432 42.995 38.066 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 49.443 43.952 38.060 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 48.597 42.762 37.660 1.00 0.00 SOLV ATOM 3090 MG MG X 205 44.915 52.177 21.367 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 57.362 40.957 34.031 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 49.597 54.460 31.989 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 50.503 53.944 32.319 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 49.834 55.902 31.966 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 49.740 56.455 33.262 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 50.727 56.540 33.740 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 49.255 57.810 32.938 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 48.279 59.440 31.868 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 49.512 59.840 31.911 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 50.088 58.873 32.741 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 51.124 58.868 33.045 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 46.006 59.403 31.206 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 45.888 58.169 31.753 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 45.008 57.548 31.623 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 46.908 57.567 32.368 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 48.053 58.217 32.489 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 47.166 59.947 31.147 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 47.168 61.117 30.641 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 47.596 61.746 31.312 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 46.206 61.360 30.431 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 48.763 55.509 34.040 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 47.812 56.012 34.231 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 49.360 55.043 35.296 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 49.250 54.090 35.332 1.00 0.00 SAM ATOM 3115 N SAM X 301 49.091 58.956 28.803 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 50.104 58.965 29.003 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 48.918 59.877 28.368 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 48.594 59.026 29.706 1.00 0.00 SAM ATOM 3119 CA SAM X 301 48.653 57.798 27.917 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 49.332 57.854 27.065 1.00 0.00 SAM ATOM 3121 CB SAM X 301 48.803 56.531 28.774 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 48.260 56.612 29.718 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 48.450 55.644 28.244 1.00 0.00 SAM ATOM 3124 CG SAM X 301 50.314 56.165 28.930 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 50.948 56.395 28.070 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 50.707 56.695 29.802 1.00 0.00 SAM ATOM 3127 SD SAM X 301 50.643 54.427 29.422 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 49.223 53.931 30.571 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 49.233 52.838 30.578 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 48.206 54.216 30.292 1.00 0.00 SAM ATOM 3131 CE SAM X 301 50.052 53.416 27.977 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 48.999 53.609 27.756 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 50.263 52.373 28.228 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 50.638 53.774 27.127 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 48.491 54.315 33.043 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 47.493 54.566 32.676 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 48.434 52.990 33.709 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 47.620 52.899 34.210 1.00 0.00 SAM ATOM 3139 C SAM X 301 47.286 58.056 27.292 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 47.099 59.106 26.687 1.00 0.00 SAM O ATOM 3141 O SAM X 301 46.319 57.487 27.751 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 24.786 95.856 11.306 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 24.257 96.392 10.715 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 24.390 94.986 11.261 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 27.991 19.322 55.087 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 27.519 18.596 55.497 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 28.536 18.907 54.419 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 87.072 85.173 33.285 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 86.806 84.898 34.162 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 87.083 84.364 32.772 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 85.479 85.519 12.486 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 86.346 85.757 12.817 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 84.873 85.831 13.158 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 90.207 9.962 58.374 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 90.072 10.330 57.501 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 90.302 9.021 58.226 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 50.187 9.518 -5.555 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 50.546 9.066 -4.791 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 49.239 9.414 -5.472 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 72.374 77.150 33.312 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 72.392 76.461 33.976 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 71.579 76.978 32.808 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 66.310 14.703 6.323 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 66.631 14.704 7.225 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 66.253 15.628 6.087 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 36.760 15.305 -4.933 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 35.967 15.830 -5.045 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 36.537 14.452 -5.305 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 22.150 92.763 18.145 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 22.791 93.446 18.343 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 21.330 93.236 18.006 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 35.686 46.719 14.206 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 36.177 45.922 14.004 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 36.349 47.409 14.234 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 51.304 33.046 42.474 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 51.501 32.507 41.708 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 50.799 33.781 42.126 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 46.722 94.504 -11.056 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 46.315 94.422 -11.919 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 46.147 94.010 -10.472 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 34.931 63.041 42.280 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 34.745 62.107 42.375 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 35.747 63.074 41.780 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 34.913 20.002 40.215 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 34.738 19.775 39.302 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 35.867 20.059 40.269 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 30.626 50.588 21.635 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 29.898 51.051 22.050 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 30.971 51.210 20.994 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 80.673 9.505 40.574 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 80.701 10.133 41.295 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 81.577 9.202 40.484 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 64.954 95.060 43.440 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 64.939 94.805 42.518 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 64.251 94.549 43.842 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 30.514 9.483 37.031 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 30.743 10.083 37.741 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 30.286 8.664 37.472 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 35.163 49.843 31.606 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 35.874 50.053 32.213 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 35.355 48.954 31.310 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 56.131 11.667 -16.354 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 56.904 11.495 -16.891 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 55.475 11.047 -16.673 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 41.753 18.816 1.270 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 42.618 18.847 0.861 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 41.842 19.350 2.060 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 38.414 91.995 65.485 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 38.941 92.794 65.510 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 38.984 91.345 65.074 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 77.874 61.661 4.729 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 77.273 61.626 3.985 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 78.745 61.659 4.334 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 44.090 82.430 19.580 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 43.463 81.997 20.159 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 44.516 81.714 19.108 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 86.482 74.814 4.690 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 86.288 73.965 5.087 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 87.018 74.604 3.925 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 89.021 17.302 -16.336 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 89.322 18.034 -15.797 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 89.398 16.527 -15.919 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 50.406 85.879 -19.475 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 49.926 85.071 -19.297 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 50.413 86.344 -18.638 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 53.672 65.246 -5.303 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 54.305 65.159 -4.590 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 52.844 65.446 -4.866 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 77.147 28.868 22.962 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 77.406 28.415 23.765 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 76.410 29.419 23.224 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 68.149 66.652 17.466 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 67.442 66.130 17.845 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 68.508 66.101 16.770 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 55.002 90.493 36.825 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 55.795 90.258 37.307 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 54.396 89.771 36.994 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 33.181 42.981 56.255 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 32.965 43.373 55.409 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 33.226 43.722 56.859 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 34.003 4.452 36.229 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 34.790 4.616 35.709 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 33.293 4.837 35.716 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 51.078 22.612 23.649 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 51.893 22.577 24.151 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 50.387 22.568 24.309 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 21.473 32.952 -8.922 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 21.764 33.121 -8.026 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 21.489 31.999 -9.004 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 38.007 25.987 1.617 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 37.077 25.949 1.394 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 38.021 26.173 2.556 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 86.703 46.324 -2.941 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 87.054 45.605 -3.467 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 86.353 45.900 -2.157 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 47.497 81.036 66.757 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 47.798 80.274 66.261 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 46.818 81.427 66.206 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 28.852 38.741 4.445 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 28.491 39.505 3.994 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 29.627 39.075 4.897 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 24.385 2.643 -0.909 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 25.180 3.088 -0.612 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 24.571 2.400 -1.816 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 26.767 0.736 -9.368 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 25.985 0.256 -9.641 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 26.743 0.709 -8.411 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 81.805 16.017 -18.504 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 81.020 15.544 -18.227 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 82.242 16.256 -17.686 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 31.373 39.847 -15.417 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 31.671 39.869 -16.326 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 32.107 40.201 -14.915 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 41.193 59.389 3.116 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 41.602 60.159 3.511 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 40.491 59.153 3.721 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 50.871 33.744 54.793 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 51.706 33.417 54.458 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 50.424 34.095 54.022 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 32.834 5.777 3.887 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 32.575 5.176 4.585 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 32.030 5.926 3.388 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 20.807 34.049 -12.707 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 21.092 33.580 -13.492 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 19.854 34.086 -12.783 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 87.305 83.439 9.906 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 87.722 84.260 10.168 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 87.996 82.952 9.457 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 31.081 92.859 1.280 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 31.054 93.511 0.580 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 30.490 93.203 1.950 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 41.399 59.273 -6.412 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 40.736 58.884 -5.841 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 41.967 59.765 -5.819 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 67.754 68.031 -17.918 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 67.022 68.647 -17.923 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 67.386 67.223 -17.560 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 29.751 25.638 63.202 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 29.198 25.468 63.965 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 29.551 24.923 62.598 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 56.793 29.363 57.299 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 56.484 29.398 56.393 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 56.361 30.102 57.728 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 28.224 93.172 13.248 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 27.387 93.024 13.687 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 28.845 93.324 13.961 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 56.969 33.092 30.201 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 56.766 32.301 29.702 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 56.681 33.811 29.638 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 23.062 17.368 63.089 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 23.436 18.216 63.329 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 22.410 17.574 62.419 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 68.274 88.573 -13.524 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 68.500 87.938 -12.845 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 67.600 88.137 -14.046 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 74.353 12.349 -3.853 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 74.823 11.994 -4.608 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 74.588 13.277 -3.838 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 46.445 10.796 50.388 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 46.067 10.298 49.663 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 46.229 10.286 51.168 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 61.819 66.422 26.379 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 61.564 65.855 27.106 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 61.059 66.425 25.798 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 34.165 52.333 -12.813 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 35.063 52.320 -12.483 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 34.255 52.531 -13.745 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 71.006 27.129 -13.572 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 71.575 27.867 -13.793 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 70.805 27.251 -12.644 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 45.719 6.124 12.487 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 45.528 5.515 13.200 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 45.367 6.962 12.786 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 28.134 87.301 6.311 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 27.378 87.473 5.749 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 28.570 88.149 6.393 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 43.745 35.638 54.086 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 44.699 35.715 54.070 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 43.576 34.713 53.907 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 87.477 45.789 12.553 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 86.968 45.181 13.090 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 86.840 46.439 12.256 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 87.801 18.942 34.376 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 87.836 19.759 34.874 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 86.871 18.714 34.355 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 35.683 82.637 10.922 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 36.409 83.245 11.061 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 35.846 82.263 10.056 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 41.995 41.446 17.469 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 42.205 41.814 18.327 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 41.051 41.291 17.498 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 59.859 81.811 20.427 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 59.554 81.261 19.705 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 59.272 82.567 20.418 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 34.981 18.957 9.205 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 35.504 18.433 9.811 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 35.237 19.861 9.387 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 83.817 36.793 5.275 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 83.794 37.456 5.966 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 84.053 37.279 4.485 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 26.259 47.723 43.417 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 27.107 48.145 43.550 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 26.437 46.788 43.515 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 61.901 44.463 9.603 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 61.693 45.092 10.294 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 62.166 43.671 10.072 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 81.570 15.015 6.326 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 82.500 15.063 6.104 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 81.288 15.928 6.380 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 87.528 83.095 -7.273 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 87.071 83.613 -6.611 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 88.452 83.311 -7.152 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 80.441 29.254 36.657 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 80.324 30.062 36.158 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 79.810 28.643 36.276 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 75.287 53.761 55.963 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 74.563 53.336 55.503 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 75.077 54.694 55.930 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 57.589 12.092 46.592 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 57.900 12.813 46.044 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 57.030 12.512 47.246 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 27.116 10.545 37.968 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 26.159 10.529 37.954 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 27.357 11.118 37.240 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 39.512 82.959 56.430 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 40.459 82.951 56.292 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 39.238 83.836 56.164 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 73.264 60.558 48.746 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 72.559 60.289 48.158 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 73.003 60.223 49.604 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 80.541 16.187 -8.700 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 80.781 15.319 -9.023 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 81.348 16.697 -8.759 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 24.481 72.953 35.229 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 25.291 73.280 34.836 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 24.663 72.034 35.422 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 54.677 80.854 -17.103 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 54.855 79.922 -16.978 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 53.893 81.021 -16.579 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 76.107 9.023 -2.183 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 76.961 9.197 -2.577 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 76.212 9.268 -1.264 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 40.628 19.778 -7.329 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 39.693 19.946 -7.448 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 41.062 20.448 -7.857 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 82.281 40.941 11.390 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 82.219 40.873 12.343 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 83.220 40.910 11.207 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 45.073 90.319 47.060 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 45.071 89.818 47.876 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 45.977 90.619 46.967 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 83.386 46.906 28.215 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 84.062 46.315 28.547 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 83.133 47.431 28.974 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 41.553 72.583 58.760 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 42.143 73.152 58.266 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 41.136 73.164 59.396 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 52.387 56.543 -9.792 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 52.343 56.277 -10.711 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 53.199 57.046 -9.726 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 82.828 75.391 9.642 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 83.283 74.579 9.863 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 82.221 75.531 10.369 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 28.572 44.743 18.416 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 27.876 45.377 18.243 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 28.938 44.548 17.554 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 68.142 15.993 35.163 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 68.934 16.458 34.895 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 68.260 15.839 36.101 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 65.344 69.296 53.827 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 66.301 69.292 53.782 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 65.061 69.211 52.917 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 26.394 45.909 49.908 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 27.303 46.018 49.629 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 25.880 46.336 49.223 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 80.404 8.586 48.382 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 79.673 8.726 47.780 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 80.608 7.655 48.299 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 53.425 73.000 -16.685 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 52.992 73.651 -16.132 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 54.339 73.281 -16.718 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 26.955 77.670 41.269 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 27.899 77.814 41.328 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 26.692 78.126 40.469 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 58.662 11.235 9.119 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 58.123 11.928 9.502 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 58.277 10.423 9.449 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 71.434 7.811 -19.498 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 70.614 8.049 -19.064 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 71.364 6.868 -19.643 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 25.323 21.881 -1.284 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 25.813 21.336 -0.667 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 24.436 21.522 -1.268 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 73.343 42.620 18.389 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 73.576 43.100 17.595 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 73.185 41.725 18.091 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 85.418 71.264 16.372 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 84.616 71.531 16.822 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 85.135 71.054 15.482 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 36.416 4.975 13.109 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 37.136 4.345 13.081 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 36.356 5.231 14.029 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 85.189 42.080 45.148 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 84.243 42.133 45.286 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 85.569 42.331 45.990 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 30.335 40.777 7.991 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 29.465 40.810 7.593 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 30.917 40.530 7.273 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 78.691 53.300 20.539 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 77.790 53.272 20.861 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 78.879 54.232 20.433 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 88.588 38.854 36.532 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 87.988 39.464 36.102 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 88.100 38.032 36.580 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 60.686 10.562 6.179 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 61.431 10.368 5.609 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 60.196 11.238 5.711 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 70.182 89.143 -16.152 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 69.734 88.298 -16.177 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 70.909 89.012 -15.544 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 77.772 46.131 3.644 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 77.990 45.794 4.513 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 77.701 47.078 3.764 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 44.440 34.199 -1.376 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 45.022 34.956 -1.299 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 43.895 34.235 -0.590 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 77.364 56.281 30.251 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 77.002 55.910 29.447 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 77.200 57.221 30.177 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 67.451 52.179 -0.387 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 66.713 51.901 0.155 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 67.689 53.040 -0.044 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 88.338 60.549 32.753 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 88.618 60.258 33.621 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 87.805 59.828 32.418 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 33.747 5.110 44.631 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 33.637 5.940 44.167 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 34.087 4.508 43.968 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 78.446 68.808 18.349 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 78.306 68.696 17.409 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 77.661 69.261 18.657 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 24.494 36.552 41.777 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 24.724 35.955 41.065 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 24.407 35.987 42.545 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 76.733 18.425 3.623 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 76.628 18.742 2.725 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 76.139 18.969 4.140 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 56.384 2.091 17.901 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 55.730 2.698 18.248 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 56.943 1.886 18.650 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 75.260 14.170 59.057 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 74.888 13.875 59.888 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 75.413 13.364 58.563 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 77.817 1.684 38.399 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 78.571 2.245 38.580 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 78.109 1.110 37.690 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 27.450 36.347 -3.086 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 28.248 35.908 -3.377 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 27.758 37.058 -2.524 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 21.710 37.026 22.634 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 21.613 37.065 21.682 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 22.492 37.547 22.816 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 45.956 54.183 2.333 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 45.545 54.151 3.197 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 46.895 54.142 2.512 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 89.608 53.992 3.981 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 89.350 53.228 4.498 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 90.162 54.504 4.570 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 61.805 28.737 61.283 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 61.445 29.470 61.783 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 62.421 28.316 61.883 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 28.104 0.645 39.176 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 27.825 1.237 39.876 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 27.449 -0.052 39.177 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 73.088 43.252 32.865 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 72.581 42.657 32.312 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 72.510 44.002 33.003 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 48.713 20.490 -16.881 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 49.181 21.237 -17.253 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 48.284 20.840 -16.100 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 42.633 20.164 4.049 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 43.122 20.409 4.835 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 42.520 19.216 4.123 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 25.909 33.968 42.360 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 25.636 34.316 43.209 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 25.975 33.023 42.498 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 82.650 32.285 39.706 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 83.029 32.011 38.871 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 83.071 31.722 40.356 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 64.348 23.973 41.173 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 63.789 23.999 40.397 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 64.919 23.218 41.033 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 74.259 83.282 58.100 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 74.401 83.042 59.015 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 73.878 82.498 57.703 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 72.196 53.741 31.378 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 72.514 54.606 31.637 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 71.305 53.896 31.066 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 65.373 88.059 0.562 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 65.796 87.690 1.337 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 64.990 87.305 0.114 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 43.707 60.160 -12.052 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 44.173 60.361 -11.240 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 42.807 60.441 -11.888 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 89.514 85.884 9.310 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 89.945 85.139 9.729 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 90.202 86.546 9.232 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 89.815 61.451 23.590 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 90.699 61.166 23.358 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 89.255 60.714 23.348 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 75.719 12.479 -1.335 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 75.659 11.693 -0.793 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 75.302 12.233 -2.161 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 71.431 28.327 47.563 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 71.351 27.751 46.803 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 70.569 28.734 47.647 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 45.875 29.500 47.023 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 45.251 29.447 47.747 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 45.661 30.322 46.582 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 36.114 26.635 -11.572 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 35.916 26.541 -12.503 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 36.133 27.581 -11.425 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 38.573 31.663 62.579 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 37.678 31.795 62.893 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 39.055 31.360 63.349 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 33.764 27.142 -5.448 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 34.709 27.072 -5.583 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 33.653 27.099 -4.498 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 57.091 10.846 28.587 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 57.935 11.296 28.640 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 56.619 11.127 29.370 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 87.628 49.213 66.957 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 86.988 49.235 67.668 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 87.124 48.951 66.187 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 52.817 51.542 -1.355 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 52.268 51.410 -0.583 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 53.639 51.890 -1.009 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 48.619 57.087 6.285 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 48.819 56.662 7.119 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 49.302 57.749 6.183 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 59.011 53.790 66.901 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 59.431 53.723 66.043 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 59.603 54.338 67.416 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 79.710 4.198 -1.167 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 79.364 4.176 -0.275 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 79.324 4.984 -1.555 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 59.887 26.800 38.501 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 60.373 25.999 38.699 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 59.764 26.778 37.552 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 30.506 37.785 -13.541 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 30.918 38.326 -14.215 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 31.237 37.447 -13.024 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 76.804 10.114 51.946 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 75.969 9.834 51.570 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 77.301 9.303 52.056 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 49.100 30.032 35.604 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 48.522 29.272 35.537 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 48.580 30.760 35.265 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 40.346 54.518 16.213 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 39.904 54.234 17.012 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 40.941 55.211 16.502 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 53.490 32.750 54.091 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 53.724 32.036 53.497 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 53.242 33.471 53.512 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 33.544 16.977 66.185 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 32.653 17.294 66.036 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 33.932 16.933 65.311 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 50.656 42.599 7.692 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 51.145 41.953 8.202 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 51.278 43.312 7.549 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 83.984 45.524 -18.809 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 84.066 46.387 -19.213 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 83.444 45.672 -18.033 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 56.401 59.588 60.310 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 55.567 59.508 59.847 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 56.221 59.255 61.189 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 66.757 13.357 34.023 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 67.174 14.166 34.320 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 66.420 13.567 33.152 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 39.189 73.014 22.036 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 39.161 72.084 22.262 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 40.057 73.303 22.317 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 72.711 60.832 19.901 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 72.625 59.882 19.979 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 72.136 61.181 20.582 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 22.301 40.299 47.304 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 22.714 41.163 47.314 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 21.913 40.228 46.433 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 63.533 33.371 17.186 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 63.413 32.524 17.618 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 62.643 33.689 17.033 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 74.457 48.502 64.920 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 75.094 48.772 65.582 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 74.195 49.317 64.492 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 20.850 51.076 11.467 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 20.753 50.140 11.642 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 21.780 51.190 11.275 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 84.987 86.010 39.931 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 85.000 85.284 39.308 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 84.626 86.745 39.434 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 22.228 36.606 0.547 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 22.655 35.796 0.825 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 22.847 37.297 0.784 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 36.319 37.299 25.288 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 37.124 37.585 24.857 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 36.194 37.924 26.002 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 40.219 25.533 0.218 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 40.919 25.427 0.861 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 39.444 25.742 0.739 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 32.328 19.325 48.942 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 33.052 19.446 49.556 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 32.392 18.408 48.673 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 41.626 43.229 -14.036 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 41.439 44.061 -13.602 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 41.220 42.569 -13.474 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 40.985 87.353 24.404 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 41.163 86.423 24.264 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 40.856 87.707 23.524 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 36.674 53.655 -0.269 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 37.328 54.337 -0.420 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 36.839 53.008 -0.955 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 41.982 9.243 -9.640 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 42.116 9.622 -10.509 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 42.508 8.443 -9.644 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 71.993 22.036 52.580 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 71.538 21.310 52.153 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 71.860 21.885 53.516 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 52.547 33.350 44.974 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 52.864 32.457 45.108 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 51.925 33.278 44.251 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 35.638 1.900 63.445 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 35.367 2.710 63.877 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 36.428 1.630 63.913 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 28.198 5.003 -0.046 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 29.012 4.596 0.250 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 27.599 4.910 0.695 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 64.724 19.898 -1.129 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 63.953 19.398 -1.399 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 65.349 19.235 -0.835 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 26.392 60.557 16.529 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 25.573 60.330 16.970 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 26.883 59.736 16.497 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 25.551 10.774 44.457 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 24.673 10.435 44.285 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 26.036 10.604 43.649 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 85.052 40.449 10.826 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 85.884 40.884 10.639 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 84.888 39.904 10.056 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 74.164 62.691 63.691 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 74.515 61.887 63.306 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 74.138 62.515 64.631 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 67.877 94.781 10.385 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 67.012 94.490 10.098 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 68.173 94.098 10.987 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 65.706 36.564 0.371 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 65.483 37.440 0.685 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 66.342 36.236 1.006 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 53.321 15.511 16.159 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 52.838 15.876 15.418 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 52.997 15.994 16.919 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 79.119 49.381 -12.047 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 78.918 49.960 -11.311 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 79.160 48.506 -11.659 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 21.982 44.108 65.156 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 21.361 44.266 64.445 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 22.106 44.966 65.561 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 55.523 43.391 -18.728 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 54.903 43.716 -19.382 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 55.088 43.544 -17.889 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 54.832 83.708 -12.004 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 54.697 82.840 -12.385 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 53.949 84.035 -11.833 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 68.570 49.030 37.579 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 67.800 48.775 37.070 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 68.366 49.910 37.897 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 35.320 52.526 2.298 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 35.610 52.107 3.109 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 35.944 53.238 2.160 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 55.269 19.943 24.443 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 55.038 20.232 23.560 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 54.888 20.605 25.020 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 42.157 41.767 12.700 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 43.013 41.364 12.848 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 42.308 42.398 11.996 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 84.524 16.325 48.608 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 84.005 16.028 47.860 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 84.305 15.711 49.310 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 90.184 49.013 34.730 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 89.694 49.830 34.639 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 89.845 48.450 34.034 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 74.049 2.914 64.359 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 73.986 3.239 63.461 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 73.362 2.251 64.423 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 64.506 22.467 37.318 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 65.074 22.944 36.712 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 64.276 23.111 37.987 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 70.805 48.494 44.032 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 69.941 48.563 44.437 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 70.795 49.147 43.332 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 52.157 83.315 21.471 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 52.976 83.532 21.916 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 51.511 83.252 22.175 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 83.645 43.414 15.804 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 83.293 42.547 15.603 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 82.873 43.955 15.968 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 52.946 70.386 40.761 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 53.277 69.583 40.357 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 52.565 70.098 41.590 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 84.045 12.679 51.471 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 84.880 12.564 51.925 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 83.564 11.870 51.647 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 47.809 32.517 14.213 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 47.843 32.609 15.165 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 47.202 33.200 13.928 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 81.480 31.122 -1.272 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 81.803 31.988 -1.023 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 81.083 30.775 -0.473 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 66.038 29.839 48.417 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 65.285 30.423 48.510 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 65.705 29.098 47.909 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 37.677 34.207 -10.711 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 37.714 34.517 -9.806 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 38.581 33.972 -10.922 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 24.770 82.911 55.117 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 24.999 83.442 55.880 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 24.642 83.546 54.413 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 22.055 30.657 9.751 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 22.472 30.551 10.606 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 22.032 31.604 9.611 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 73.277 86.863 48.184 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 73.494 86.792 47.254 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 73.794 86.177 48.604 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 46.182 25.583 50.247 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 46.075 24.777 50.753 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 47.052 25.903 50.489 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 25.212 47.521 -10.132 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 24.944 47.969 -10.935 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 24.839 46.643 -10.212 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 20.450 22.515 -10.753 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 20.969 22.289 -9.982 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 20.107 23.389 -10.564 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 52.619 3.160 57.147 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 53.288 2.599 57.541 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 52.506 3.875 57.774 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 34.426 53.274 -15.340 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 35.359 53.190 -15.537 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 34.347 54.129 -14.916 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 85.537 41.797 -17.624 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 85.905 42.302 -16.899 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 85.215 42.458 -18.237 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 59.102 90.605 40.488 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 58.517 89.924 40.821 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 59.351 90.302 39.615 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 80.379 42.410 -13.384 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 79.605 42.372 -12.822 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 81.106 42.567 -12.781 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 28.508 82.289 26.825 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 28.121 83.094 27.168 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 27.907 81.597 27.100 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 37.494 60.749 -3.588 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 37.404 61.582 -3.125 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 36.734 60.237 -3.311 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 83.463 47.664 0.184 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 83.130 48.555 0.085 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 83.464 47.511 1.129 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 38.859 43.139 -4.643 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 38.951 43.154 -3.690 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 38.179 43.788 -4.828 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 67.796 54.105 26.098 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 67.647 54.012 27.039 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 66.918 54.126 25.718 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 34.112 14.158 36.068 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 35.052 14.300 35.957 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 33.702 14.788 35.476 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 78.127 63.243 17.735 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 77.986 62.372 17.365 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 78.912 63.567 17.294 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 77.215 19.745 -17.908 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 76.816 19.203 -18.589 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 77.021 19.285 -17.092 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 85.280 40.562 23.840 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 84.614 40.461 24.520 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 85.334 41.506 23.695 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 74.770 47.614 20.386 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 74.021 48.174 20.182 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 75.145 47.995 21.180 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 80.969 37.217 0.977 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 81.237 36.462 1.502 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 80.292 37.645 1.501 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 34.228 17.689 -16.488 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 33.859 18.462 -16.060 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 34.837 17.327 -15.845 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 46.021 41.965 23.173 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 45.583 42.348 22.414 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 46.801 42.506 23.299 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 37.686 38.961 61.993 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 37.111 39.233 62.708 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 38.164 39.756 61.754 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 33.113 90.970 38.792 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 34.070 90.950 38.774 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 32.852 90.055 38.695 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 32.242 77.121 30.144 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 32.512 76.268 30.484 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 33.036 77.487 29.756 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 26.137 26.710 62.356 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 26.909 26.779 61.795 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 25.860 27.615 62.496 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 54.011 11.052 62.741 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 54.966 11.087 62.790 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 53.774 11.776 62.162 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 63.596 94.340 -3.191 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 63.942 95.185 -3.479 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 63.799 94.303 -2.257 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 78.104 65.530 5.818 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 78.886 65.353 5.296 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 77.404 65.637 5.174 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 21.963 60.080 45.229 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 22.800 59.631 45.345 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 22.019 60.472 44.357 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 66.703 19.462 47.712 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 66.337 20.094 48.332 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 66.194 19.589 46.911 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 21.905 50.071 7.639 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 22.606 50.279 7.021 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 22.309 50.170 8.501 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 80.683 75.360 -7.142 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 80.241 75.234 -6.302 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 81.528 75.746 -6.913 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 53.090 76.744 35.661 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 53.649 76.216 35.092 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 52.217 76.672 35.275 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 37.123 72.011 4.969 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 36.615 72.201 4.180 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 36.642 72.444 5.674 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 82.502 37.647 20.660 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 83.452 37.526 20.649 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 82.154 36.846 20.268 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 46.665 6.996 56.191 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 46.930 6.831 55.286 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 45.717 7.119 56.145 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 43.189 40.807 7.919 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 43.644 41.061 8.723 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 43.090 41.624 7.431 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 64.133 55.304 28.571 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 63.416 55.855 28.885 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 63.983 55.229 27.628 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 70.079 95.023 37.772 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 69.821 94.273 37.237 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 70.354 94.640 38.605 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 48.279 67.242 57.594 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 48.668 67.487 56.754 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 48.268 66.285 57.583 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 56.376 9.680 -3.882 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 56.269 9.129 -3.106 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 57.082 9.263 -4.377 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 80.318 26.487 -19.456 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 81.152 26.715 -19.868 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 79.730 27.204 -19.693 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 65.875 13.314 55.684 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 66.429 13.794 56.299 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 65.115 13.048 56.203 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 73.051 27.483 33.988 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 73.015 28.370 33.630 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 73.105 27.608 34.935 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 51.338 37.614 43.609 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 51.810 38.436 43.739 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 50.439 37.882 43.416 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 28.170 27.132 2.849 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 28.173 27.875 3.453 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 27.486 27.343 2.213 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 88.535 66.201 16.204 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 88.349 67.135 16.290 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 89.487 66.137 16.283 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 69.784 12.850 -17.306 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 69.794 12.819 -18.263 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 68.959 12.432 -17.060 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 69.143 19.822 -2.589 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 69.810 20.093 -3.220 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 69.398 20.249 -1.771 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 35.878 96.294 41.805 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 35.207 96.863 41.427 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 35.852 95.502 41.267 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 33.727 64.690 65.242 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 32.909 64.276 64.967 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 34.330 64.537 64.515 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 23.808 72.583 30.362 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 22.990 72.235 30.718 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 24.376 71.817 30.276 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 73.523 28.307 39.883 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 72.828 28.658 40.441 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 73.071 28.017 39.091 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 77.518 42.456 64.024 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 77.424 42.467 63.071 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 76.854 43.071 64.337 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 21.405 12.616 39.058 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 21.572 12.655 40.000 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 22.272 12.682 38.658 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 40.468 9.095 54.056 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 41.177 9.282 53.440 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 40.410 9.881 54.600 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 57.068 35.550 0.943 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 56.200 35.486 0.544 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 56.941 36.118 1.703 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 67.267 75.919 52.709 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 67.276 75.869 51.753 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 66.916 76.789 52.901 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 30.589 23.846 48.188 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 30.826 22.991 48.547 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 29.925 24.184 48.790 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 21.350 77.505 56.565 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 20.849 77.779 55.796 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 20.895 77.909 57.304 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 90.146 48.046 -6.616 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 90.011 48.271 -5.696 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 89.440 47.433 -6.819 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 31.642 24.738 51.685 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 32.293 24.044 51.576 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 30.821 24.345 51.392 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 71.473 59.369 29.713 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 70.750 59.995 29.746 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 72.092 59.682 30.372 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 66.290 49.184 29.699 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 65.424 49.550 29.878 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 66.650 49.744 29.012 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 31.810 76.335 43.056 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 31.196 75.651 43.323 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 32.408 75.898 42.450 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 83.333 45.056 8.484 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 84.162 45.154 8.016 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 83.578 44.701 9.338 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 27.936 53.115 38.375 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 27.459 53.921 38.574 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 27.402 52.419 38.759 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 81.571 62.603 1.393 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 80.934 62.586 0.678 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 82.356 62.199 1.024 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 68.213 32.450 60.045 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 67.937 33.354 60.198 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 67.549 32.093 59.455 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 58.657 88.490 63.954 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 58.161 87.688 64.119 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 58.899 88.437 63.030 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 42.025 57.179 40.650 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 42.459 58.026 40.750 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 42.095 56.983 39.716 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 86.799 42.682 20.575 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 87.716 42.652 20.303 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 86.307 42.731 19.755 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 78.313 42.595 25.153 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 78.031 43.375 25.630 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 78.431 41.929 25.830 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 74.564 43.715 -13.788 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 75.330 43.588 -13.230 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 73.840 43.850 -13.176 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 43.236 80.119 21.547 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 42.736 80.312 22.341 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 44.006 79.643 21.858 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 45.465 3.562 23.510 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 46.051 2.807 23.565 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 44.898 3.372 22.763 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 55.237 7.049 7.778 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 55.444 7.579 7.008 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 54.504 7.503 8.193 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 38.791 47.320 -9.660 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 38.635 47.748 -8.819 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 39.508 47.818 -10.053 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 60.876 24.619 14.280 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 60.236 23.912 14.351 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 60.456 25.367 14.704 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 29.825 44.079 15.937 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 30.627 43.747 16.341 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 30.114 44.460 15.108 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 74.950 83.813 16.262 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 74.608 84.704 16.194 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 74.435 83.310 15.631 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 45.426 66.693 -10.977 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 45.175 67.006 -10.108 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 45.850 65.851 -10.816 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 37.410 79.368 -2.745 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 37.735 80.260 -2.624 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 38.199 78.836 -2.849 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 53.306 91.080 3.751 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 52.450 90.658 3.680 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 53.611 90.859 4.631 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 48.010 60.792 67.025 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 48.569 60.947 66.264 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 47.671 61.657 67.255 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 90.229 53.604 34.435 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 89.714 53.996 35.141 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 89.760 52.799 34.215 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 63.395 1.997 56.298 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 63.195 1.321 56.946 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 64.083 2.523 56.704 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 24.111 37.413 31.094 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 23.159 37.449 31.193 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 24.317 38.124 30.487 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 50.419 35.916 45.570 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 51.210 35.438 45.820 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 50.690 36.457 44.828 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 36.794 47.511 39.599 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 37.328 48.188 39.181 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 37.373 47.116 40.250 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 43.202 92.271 51.333 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 44.081 92.127 50.985 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 42.734 91.457 51.149 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 79.390 60.370 52.611 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 78.463 60.472 52.397 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 79.524 59.423 52.649 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 74.571 59.363 1.959 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 73.734 59.704 1.644 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 74.344 58.553 2.416 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 47.575 36.415 -10.080 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 46.888 36.343 -10.742 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 47.691 35.521 -9.756 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 76.388 8.890 -11.257 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 77.236 8.653 -11.633 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 76.522 9.766 -10.895 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 33.758 68.208 26.994 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 34.633 68.590 26.925 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 33.195 68.806 26.502 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 46.280 38.589 8.033 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 46.014 39.034 8.838 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 46.894 37.915 8.324 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 29.259 59.270 -11.424 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 30.038 59.081 -10.901 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 29.177 58.519 -12.012 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 33.498 31.157 19.444 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 33.536 32.066 19.146 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 32.632 31.071 19.841 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 35.621 29.219 -7.604 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 34.956 28.935 -8.231 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 35.989 28.405 -7.260 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 20.333 88.111 36.630 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 20.939 87.455 36.974 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 20.492 88.113 35.686 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 37.476 61.414 -12.228 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 37.676 60.830 -11.497 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 36.935 62.104 -11.843 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 78.258 7.579 -8.543 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 78.740 7.586 -9.370 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 78.375 8.460 -8.189 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 87.657 69.412 7.266 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 87.205 70.247 7.385 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 87.031 68.755 7.570 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 61.082 75.466 57.486 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 61.349 74.547 57.472 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 60.328 75.506 56.899 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 70.990 51.583 39.075 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 70.120 51.765 38.720 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 71.308 50.840 38.562 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 52.781 50.883 40.665 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 52.663 49.933 40.651 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 53.400 51.038 41.378 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 58.994 53.347 -11.690 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 59.222 52.844 -10.908 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 58.074 53.580 -11.567 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 35.603 24.184 -19.290 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 34.792 24.569 -18.959 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 35.538 23.256 -19.065 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 49.471 38.371 60.952 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 49.677 39.024 60.283 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 50.273 38.294 61.468 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 83.220 50.827 18.593 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 83.961 50.383 19.005 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 82.587 50.129 18.422 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 83.865 70.093 50.581 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 83.719 69.559 49.801 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 84.448 69.566 51.127 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 66.370 23.601 60.282 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 65.511 23.808 59.914 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 66.191 22.944 60.955 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 73.766 66.325 17.768 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 74.419 65.631 17.854 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 73.367 66.390 18.636 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 88.718 92.765 11.792 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 88.036 93.410 11.605 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 89.183 93.120 12.549 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 30.651 26.739 31.491 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 29.999 27.407 31.277 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 31.488 27.135 31.249 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 80.750 53.582 2.099 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 81.335 53.220 1.433 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 79.890 53.599 1.679 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 31.794 71.470 12.715 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 31.494 71.431 13.623 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 32.188 70.612 12.555 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 28.842 24.295 39.717 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 28.990 23.872 38.872 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 27.892 24.266 39.837 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 30.867 67.011 18.728 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 31.624 66.690 18.237 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 31.211 67.207 19.599 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 34.490 42.166 26.417 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 33.865 41.717 25.847 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 34.956 42.766 25.835 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 75.093 76.594 28.080 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 75.294 75.896 28.703 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 74.141 76.680 28.113 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 69.346 59.810 16.336 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 68.726 60.197 16.953 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 70.113 59.597 16.868 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 77.740 70.687 63.842 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 76.992 71.284 63.834 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 77.819 70.388 62.936 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 87.423 18.249 -2.078 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 87.638 19.180 -2.027 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 87.422 18.053 -3.015 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 73.748 44.020 50.584 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 73.922 43.847 51.509 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 74.436 44.630 50.320 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 46.508 12.558 58.209 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 47.299 12.672 58.736 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 46.556 13.252 57.551 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 76.078 33.584 29.838 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 75.639 33.425 29.002 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 75.620 33.020 30.461 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 32.276 17.823 4.523 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 33.152 18.104 4.786 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 31.804 17.705 5.347 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 26.433 63.873 0.780 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 26.788 64.704 0.464 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 26.866 63.733 1.622 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 35.484 6.451 5.144 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 35.381 5.868 5.896 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 34.713 6.284 4.602 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 60.825 72.969 3.434 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 60.586 73.517 4.182 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 60.311 72.170 3.549 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 64.568 31.425 55.777 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 64.818 32.094 56.414 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 64.897 31.755 54.941 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 40.302 79.450 8.369 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 39.625 79.086 7.799 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 40.006 79.243 9.255 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 72.254 24.583 -14.903 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 72.273 23.649 -14.694 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 73.128 24.898 -14.671 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 43.008 90.960 17.734 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 42.874 90.305 18.420 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 43.849 90.728 17.342 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 26.695 57.898 31.260 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 26.485 57.546 30.395 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 27.609 58.174 31.191 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 28.536 61.914 4.886 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 27.809 61.732 5.481 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 29.318 61.666 5.379 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 81.362 33.664 -13.195 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 82.245 33.829 -13.528 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 81.322 32.715 -13.081 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 81.843 57.406 62.021 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 81.739 57.165 62.941 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 81.014 57.826 61.788 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 23.056 85.280 16.295 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 23.837 85.687 16.668 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 22.709 85.936 15.690 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 62.744 65.085 39.686 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 61.909 64.668 39.472 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 63.151 64.495 40.320 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 39.004 68.601 54.535 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 39.464 67.968 55.087 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 38.660 68.081 53.809 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 26.402 94.080 49.318 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 26.781 94.800 49.822 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 27.156 93.561 49.036 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 90.455 3.089 55.126 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 89.846 2.592 54.580 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 90.329 2.738 56.007 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 22.670 84.988 20.049 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 23.616 84.866 20.127 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 22.406 85.357 20.892 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 60.125 7.049 -6.651 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 60.401 6.151 -6.834 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 59.759 7.361 -7.478 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 30.266 93.507 55.607 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 30.146 94.452 55.696 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 30.591 93.389 54.715 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 42.585 47.274 54.974 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 41.878 46.639 55.090 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 42.925 47.418 55.858 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 62.708 61.314 61.716 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 63.318 61.625 62.385 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 61.864 61.264 62.164 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 56.102 9.919 13.079 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 55.629 9.992 12.250 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 55.764 10.639 13.612 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 54.892 92.264 -15.851 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 54.527 92.026 -16.704 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 54.665 91.531 -15.280 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 75.871 41.371 1.835 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 76.364 42.184 1.942 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 75.229 41.567 1.153 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 29.681 13.339 -11.940 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 29.730 14.285 -11.804 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 30.383 13.149 -12.562 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 82.551 39.203 -7.572 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 81.609 39.361 -7.513 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 82.852 39.204 -6.664 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 54.600 34.873 3.890 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 55.452 35.304 3.815 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 53.974 35.592 3.972 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 27.013 82.705 3.705 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 27.504 83.027 4.460 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 27.536 82.969 2.948 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 85.630 40.764 51.130 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 84.899 40.828 50.516 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 85.671 41.625 51.545 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 78.000 72.346 54.442 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 77.910 72.945 55.184 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 77.608 71.527 54.746 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 23.771 45.143 12.213 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 24.391 45.864 12.102 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 23.747 44.992 13.158 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 21.593 27.952 51.520 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 21.779 28.144 50.601 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 21.612 26.996 51.574 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 63.501 36.480 65.984 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 63.881 37.145 66.558 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 63.854 35.652 66.310 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 69.848 2.143 19.865 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 70.208 2.737 20.524 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 69.588 2.714 19.143 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 79.571 42.712 -18.109 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 80.160 43.204 -18.681 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 78.916 43.352 -17.831 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 32.104 15.232 -11.809 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 32.125 14.922 -10.904 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 31.922 16.169 -11.738 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 64.678 89.563 45.275 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 63.957 89.682 45.894 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 64.371 89.972 44.467 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 21.014 68.443 -15.068 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 21.077 68.454 -14.112 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 21.815 68.872 -15.366 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 67.075 62.801 -14.019 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 66.702 63.671 -13.876 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 66.421 62.199 -13.666 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 65.014 50.106 6.925 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 65.247 49.680 7.750 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 64.647 50.951 7.187 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 32.015 32.759 25.685 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 32.149 31.965 25.167 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 32.479 32.591 26.505 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 78.250 66.190 0.519 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 77.625 65.577 0.906 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 79.074 66.013 0.974 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 34.070 21.913 14.853 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 34.935 21.977 15.258 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 33.991 22.709 14.328 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 63.633 42.295 64.197 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 63.441 41.367 64.332 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 62.773 42.712 64.138 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 23.281 85.990 36.846 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 22.450 85.571 37.071 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 23.854 85.265 36.594 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 29.878 46.742 23.852 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 30.168 47.612 24.126 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 29.243 46.479 24.519 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 32.397 30.445 59.793 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 32.833 30.014 59.057 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 31.600 30.816 59.414 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 73.709 43.418 -4.444 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 73.409 43.474 -3.537 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 73.754 42.479 -4.624 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 32.245 21.411 16.773 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 31.615 22.108 16.589 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 33.024 21.655 16.274 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 39.721 59.367 13.243 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 40.304 59.588 13.970 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 39.431 60.213 12.902 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 79.247 24.027 66.004 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 78.878 24.317 66.838 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 79.866 24.716 65.763 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 51.740 62.282 11.735 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 51.639 62.252 12.686 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 52.674 62.444 11.598 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 65.436 44.592 -8.805 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 65.276 44.485 -9.742 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 66.083 45.295 -8.750 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 51.640 6.269 4.898 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 51.712 5.663 5.636 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 50.793 6.063 4.501 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 33.516 84.615 -7.122 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 33.564 85.121 -7.934 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 34.164 83.919 -7.235 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 63.320 49.771 52.345 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 64.160 49.572 51.933 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 62.702 49.167 51.934 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 77.551 49.699 47.528 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 78.277 49.525 48.127 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 77.770 49.209 46.736 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 85.042 10.446 -5.186 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 85.367 11.345 -5.233 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 85.679 9.934 -5.685 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 41.841 87.174 47.517 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 42.673 87.598 47.304 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 41.961 86.263 47.249 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 85.170 58.226 4.596 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 84.394 57.914 5.061 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 85.043 59.173 4.525 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 28.428 85.203 -5.725 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 27.785 85.909 -5.646 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 28.657 84.985 -4.822 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 77.144 74.040 25.828 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 76.362 73.489 25.795 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 77.874 73.421 25.808 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 22.177 64.702 11.451 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 21.464 65.090 10.943 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 22.967 65.129 11.119 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 48.899 90.471 9.899 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 49.311 90.799 10.698 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 47.978 90.355 10.133 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 38.587 37.706 67.150 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 38.798 37.523 66.234 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 37.715 37.332 67.275 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 64.161 32.223 22.433 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 63.414 32.583 21.953 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 64.500 31.531 21.865 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 71.442 73.752 28.751 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 70.501 73.728 28.581 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 71.674 74.679 28.685 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 60.587 7.809 -2.790 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 60.278 8.496 -2.199 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 61.249 7.338 -2.284 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 35.404 92.824 55.695 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 34.448 92.848 55.695 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 35.640 92.652 56.607 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 74.039 50.596 23.476 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 73.118 50.627 23.216 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 74.485 51.155 22.840 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 73.482 66.837 58.177 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 72.769 67.130 58.746 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 73.126 66.909 57.292 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 67.874 47.786 57.973 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 67.204 48.086 57.358 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 68.522 48.490 57.983 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 63.779 48.212 0.815 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 63.095 48.829 1.073 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 63.812 47.576 1.530 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 77.968 0.358 -16.046 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 77.352 0.071 -15.372 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 77.442 0.894 -16.639 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 63.747 83.294 -17.292 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 64.146 82.559 -17.759 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 62.994 82.911 -16.843 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 26.875 80.380 -13.519 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 26.829 80.739 -14.405 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 27.488 79.648 -13.589 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 66.023 86.105 25.874 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 65.089 85.980 26.041 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 66.096 86.119 24.920 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 49.423 82.146 16.221 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 49.733 82.419 17.085 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 48.612 81.670 16.397 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 53.747 26.111 16.272 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 53.234 26.377 15.509 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 53.167 26.270 17.018 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 79.194 70.997 20.607 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 78.337 71.181 20.221 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 79.112 70.111 20.960 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 72.553 38.353 26.880 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 72.635 38.225 25.935 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 72.866 37.532 27.261 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 88.982 65.217 44.357 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 88.103 65.045 44.695 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 88.838 65.525 43.462 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 80.337 62.879 -10.351 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 80.972 62.714 -11.048 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 80.216 63.829 -10.358 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 69.640 23.096 24.294 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 70.504 23.299 23.935 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 69.063 23.764 23.924 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 60.716 89.371 38.358 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 60.976 89.022 37.506 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 60.596 88.597 38.908 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 68.310 37.051 -8.678 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 68.194 36.415 -9.383 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 69.245 37.258 -8.693 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 24.646 58.024 38.834 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 24.978 57.408 39.487 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 24.915 57.651 37.994 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 87.429 23.606 -9.722 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 87.534 23.291 -8.824 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 88.281 23.980 -9.946 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 45.162 93.808 15.319 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 44.411 93.694 14.737 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 45.795 93.153 15.025 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 36.812 1.011 60.792 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 35.889 0.882 61.010 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 37.131 1.625 61.453 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 34.260 75.311 30.889 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 34.877 75.550 30.198 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 34.659 74.553 31.315 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 31.955 18.403 18.182 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 31.659 18.208 19.071 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 31.894 19.356 18.111 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 71.543 46.455 29.351 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 71.681 45.674 28.814 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 71.497 46.124 30.248 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 75.071 32.181 45.292 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 75.989 31.918 45.353 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 74.662 31.504 44.753 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 66.779 31.911 -3.878 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 67.439 32.248 -4.484 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 67.270 31.353 -3.275 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 72.989 84.443 9.707 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 73.330 83.651 10.122 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 73.770 84.933 9.449 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 85.837 16.333 -13.742 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 86.680 16.524 -13.331 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 85.696 17.058 -14.350 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 74.537 27.791 -17.285 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 74.343 28.456 -17.946 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 74.263 26.966 -17.686 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 26.118 6.037 43.228 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 26.663 6.682 42.778 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 26.683 5.681 43.914 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 80.444 20.873 10.419 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 80.108 20.034 10.103 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 79.661 21.371 10.655 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 65.186 30.580 35.745 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 64.391 31.088 35.579 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 65.150 29.864 35.112 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 36.109 16.974 -2.333 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 36.916 17.447 -2.129 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 36.052 17.000 -3.288 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 47.201 82.329 21.333 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 46.534 81.792 21.760 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 47.841 82.509 22.022 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 59.449 69.888 -17.915 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 59.849 69.037 -17.738 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 58.919 69.746 -18.699 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 33.566 77.069 -9.903 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 33.763 77.999 -10.015 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 34.421 76.639 -9.915 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 63.905 36.514 -1.991 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 63.336 36.224 -1.278 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 64.730 36.742 -1.563 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 35.692 52.379 -4.649 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 35.133 52.564 -3.893 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 36.529 52.789 -4.435 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 52.156 42.007 1.215 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 53.085 42.078 0.995 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 51.975 42.784 1.744 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 25.421 11.205 -2.575 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 26.026 11.912 -2.354 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 24.777 11.210 -1.867 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 79.034 37.126 -14.214 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 79.264 36.945 -15.126 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 79.437 36.414 -13.719 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 25.789 11.611 -5.366 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 26.161 11.532 -4.487 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 25.600 10.710 -5.628 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 50.744 81.643 48.222 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 50.881 82.393 47.643 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 50.255 81.016 47.690 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 51.012 7.951 19.411 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 51.033 7.874 20.365 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 50.748 8.857 19.249 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 69.602 64.654 35.350 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 70.345 64.192 34.962 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 69.228 65.158 34.628 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 55.795 55.909 65.773 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 55.930 55.026 66.118 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 54.846 55.987 65.678 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 32.782 92.794 56.088 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 32.743 92.320 56.919 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 31.872 93.028 55.902 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 51.352 17.643 61.190 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 51.748 16.802 60.962 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 50.568 17.412 61.688 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 71.936 91.339 16.786 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 71.590 92.066 17.303 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 72.753 91.100 17.224 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 86.226 84.593 15.115 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 86.983 85.088 14.801 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 86.451 84.354 16.014 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 45.676 77.393 4.821 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 45.830 76.452 4.908 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 46.550 77.769 4.711 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 70.854 38.656 -19.198 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 70.013 39.078 -19.024 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 71.421 38.947 -18.484 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 74.833 58.965 56.765 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 73.981 59.210 56.406 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 74.641 58.656 57.651 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 33.387 74.585 -17.483 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 33.857 75.134 -18.111 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 33.810 74.764 -16.643 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 27.462 14.486 -7.704 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 27.595 14.413 -6.759 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 28.253 14.109 -8.089 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 48.384 15.983 59.670 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 47.493 15.670 59.827 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 48.350 16.380 58.800 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 70.000 81.963 31.151 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 69.301 82.557 30.875 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 70.601 81.938 30.406 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 22.103 45.713 -7.279 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 21.405 46.188 -6.829 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 22.740 46.388 -7.515 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 27.772 10.496 1.547 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 28.046 11.249 2.070 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 28.518 9.898 1.577 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 56.317 30.490 -1.547 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 55.520 31.012 -1.450 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 56.887 31.022 -2.102 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 39.984 82.051 11.691 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 39.096 81.856 11.991 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 40.494 81.277 11.930 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 20.790 80.146 14.634 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 20.705 80.432 15.543 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 19.964 80.401 14.224 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 70.304 24.808 15.794 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 70.622 25.679 16.033 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 69.470 24.722 16.256 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 29.252 18.295 12.732 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 30.013 18.112 13.283 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 29.509 19.057 12.213 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 81.295 68.784 21.665 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 81.905 68.511 20.980 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 80.452 68.421 21.394 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 46.727 49.233 -0.459 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 46.842 49.727 0.353 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 47.340 48.501 -0.383 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 31.909 79.200 46.430 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 32.596 78.548 46.568 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 31.104 78.688 46.355 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 34.799 14.065 50.360 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 34.517 13.150 50.368 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 35.438 14.113 49.649 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 64.198 86.133 11.507 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 64.094 85.207 11.287 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 64.613 86.130 12.370 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 84.321 80.142 5.664 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 84.931 80.706 6.140 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 84.282 80.519 4.785 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 88.920 1.467 20.717 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 89.159 1.306 19.804 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 88.500 0.655 21.002 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 58.019 33.136 47.010 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 57.379 33.836 46.877 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 58.665 33.267 46.317 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 80.597 9.917 37.751 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 80.587 9.863 38.706 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 79.950 9.270 37.468 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 43.831 66.708 1.558 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 43.272 65.931 1.573 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 44.435 66.555 0.831 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 43.745 88.190 16.320 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 43.228 87.412 16.529 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 44.568 88.064 16.792 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 36.874 8.760 38.508 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 36.285 8.250 37.951 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 37.041 9.560 38.011 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 32.154 15.611 51.219 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 32.408 15.078 51.973 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 31.198 15.582 51.216 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 27.659 63.411 33.987 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 28.093 63.205 33.159 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 28.196 62.980 34.652 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 23.571 28.070 36.217 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 23.218 28.477 35.426 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 23.449 27.131 36.079 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 75.818 47.151 17.133 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 76.088 47.926 16.639 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 75.941 47.395 18.050 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 74.166 90.845 21.458 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 74.471 91.727 21.671 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 74.286 90.771 20.511 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 53.902 23.254 59.616 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 54.104 22.890 58.754 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 53.301 23.977 59.436 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 40.542 86.472 -9.555 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 40.478 85.822 -8.856 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 40.449 87.314 -9.109 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 49.632 26.872 18.348 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 49.344 27.783 18.401 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 48.823 26.370 18.252 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 87.440 56.733 29.832 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 86.624 57.207 29.992 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 87.748 56.485 30.704 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 52.727 2.609 24.263 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 51.880 2.361 23.893 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 52.975 1.867 24.814 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 79.111 35.297 41.960 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 79.337 34.737 42.703 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 78.166 35.187 41.855 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 24.872 89.168 52.324 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 25.520 89.872 52.353 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 24.041 89.599 52.526 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 51.503 75.561 57.977 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 50.720 75.052 58.186 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 52.226 75.050 58.342 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 75.986 41.295 13.235 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 75.126 41.715 13.249 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 76.208 41.175 14.159 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 54.055 4.766 15.558 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 53.615 3.963 15.837 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 53.465 5.469 15.826 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 76.581 75.630 39.046 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 75.894 74.992 38.855 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 77.263 75.451 38.398 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 33.414 34.219 -10.447 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 33.894 34.258 -9.619 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 32.541 33.910 -10.205 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 22.207 40.375 -12.309 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 21.784 41.187 -12.590 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 22.603 40.590 -11.465 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 27.399 62.302 63.469 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 27.014 61.855 64.223 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 27.376 63.230 63.701 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 83.200 60.003 29.835 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 83.814 60.524 29.316 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 82.440 59.889 29.264 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 24.291 39.728 -10.002 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 23.464 39.969 -9.585 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 24.939 40.309 -9.605 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 44.351 15.929 17.958 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 44.839 16.152 17.166 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 44.472 16.683 18.535 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 39.638 8.302 14.504 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 39.142 9.120 14.521 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 39.621 7.992 15.410 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 51.752 21.691 56.080 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 52.062 22.151 55.300 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 52.534 21.578 56.619 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 46.106 44.207 -6.084 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 45.204 43.930 -6.250 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 46.071 44.638 -5.231 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 72.740 96.621 61.742 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 73.530 96.446 61.230 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 72.115 95.956 61.455 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 81.680 44.227 35.041 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 80.998 44.235 34.369 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 82.424 43.793 34.623 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 74.255 26.531 15.810 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 74.216 27.013 16.636 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 73.459 26.788 15.344 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 46.601 23.295 -12.820 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 47.230 23.969 -13.077 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 45.748 23.722 -12.895 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 65.878 70.660 16.302 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 65.429 70.764 17.141 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 65.485 69.877 15.916 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 30.263 73.301 63.081 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 29.514 72.707 63.040 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 30.371 73.489 64.013 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 55.405 31.243 9.455 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 55.261 32.157 9.211 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 54.574 30.962 9.837 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 56.481 91.000 64.295 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 57.428 91.080 64.403 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 56.373 90.397 63.559 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 89.259 14.144 35.949 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 88.949 14.756 35.281 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 89.022 14.556 36.780 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 40.709 0.936 -12.547 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 40.488 0.771 -11.631 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 40.381 1.819 -12.718 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 36.229 14.311 -18.630 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 35.860 13.865 -19.393 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 36.461 15.183 -18.951 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 79.334 73.477 23.940 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 79.245 72.525 23.973 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 78.608 73.805 24.471 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 84.974 36.452 52.689 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 85.771 36.981 52.703 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 85.139 35.751 53.320 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 71.083 17.400 65.908 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 70.165 17.146 65.815 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 71.064 18.163 66.486 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 79.104 34.551 2.974 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 78.530 34.188 2.301 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 78.513 34.800 3.685 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 78.039 32.563 6.497 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 77.395 33.162 6.876 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 78.874 32.840 6.873 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 39.809 20.207 60.958 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 40.094 19.794 60.142 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 39.802 19.495 61.597 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 49.581 67.399 -6.426 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 49.050 66.978 -5.750 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 50.364 67.699 -5.965 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 82.644 20.769 -11.336 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 83.244 21.182 -10.715 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 81.772 20.954 -10.986 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 23.062 63.715 8.029 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 22.470 63.170 8.548 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 23.937 63.488 8.346 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 24.296 45.032 42.507 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 23.347 45.027 42.381 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 24.599 44.231 42.080 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 83.073 20.158 -16.362 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 83.055 19.206 -16.456 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 82.371 20.351 -15.740 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 69.435 68.862 22.267 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 68.741 68.547 21.687 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 70.137 69.132 21.675 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 37.945 67.562 11.565 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 38.618 67.187 12.133 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 38.435 68.028 10.888 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 84.043 30.194 59.051 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 83.837 29.346 58.657 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 83.720 30.837 58.420 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 66.830 15.462 29.978 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 67.334 15.722 30.748 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 66.888 16.213 29.388 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 80.482 33.417 32.520 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 79.974 33.758 31.785 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 80.248 33.982 33.257 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 40.526 30.053 -2.810 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 40.656 29.347 -2.177 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 40.565 29.621 -3.663 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 35.795 14.461 11.306 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 36.572 13.995 10.995 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 35.789 14.313 12.252 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 56.216 19.505 43.568 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 56.096 20.430 43.785 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 56.997 19.489 43.013 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 56.276 29.307 -9.440 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 55.616 29.987 -9.574 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 56.754 29.586 -8.659 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 22.690 2.835 -13.122 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 22.009 2.218 -12.856 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 22.240 3.461 -13.690 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 49.034 34.789 7.941 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 49.849 34.944 7.465 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 49.146 33.922 8.333 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 68.628 45.421 37.101 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 68.807 46.342 37.288 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 68.568 45.009 37.963 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 89.525 81.901 8.798 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 89.953 82.621 9.261 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 89.520 81.180 9.427 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 28.564 40.806 10.366 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 28.966 41.351 11.043 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 29.018 41.052 9.560 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 32.343 28.873 27.121 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 32.641 28.420 27.910 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 31.556 29.342 27.396 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 25.104 17.406 3.472 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 25.531 16.716 2.964 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 25.646 17.498 4.256 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 85.315 37.569 13.075 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 84.613 36.965 13.315 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 84.926 38.138 12.411 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 35.271 49.990 0.970 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 36.226 49.934 0.983 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 35.082 50.910 1.157 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 22.260 10.759 9.066 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 22.018 11.668 8.885 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 21.452 10.354 9.380 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 67.612 72.385 -16.536 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 68.227 71.728 -16.208 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 68.151 72.979 -17.058 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 22.429 33.261 14.843 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 23.336 33.146 15.127 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 22.036 33.820 15.513 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 53.731 10.716 -3.618 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 54.616 10.370 -3.508 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 53.665 10.913 -4.552 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 77.582 84.730 47.138 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 78.343 84.901 46.584 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 77.726 83.848 47.480 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 33.894 90.649 -12.038 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 33.517 90.768 -11.166 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 34.471 91.403 -12.155 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 21.131 84.151 41.017 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 20.197 83.998 41.156 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 21.236 85.098 41.108 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 38.136 70.825 -9.227 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 37.183 70.851 -9.143 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 38.382 69.958 -8.906 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 40.642 24.563 30.744 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 40.130 24.702 29.947 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 41.433 25.085 30.614 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 23.910 35.454 51.331 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 24.493 36.197 51.490 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 23.460 35.673 50.515 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 86.995 74.628 21.056 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 86.372 75.347 20.954 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 86.706 73.969 20.424 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 25.650 89.196 65.782 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 25.861 88.308 66.069 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 24.707 89.277 65.927 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 39.894 21.439 15.937 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 40.478 22.039 15.472 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 40.311 21.311 16.789 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 72.594 72.243 3.905 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 72.260 71.738 3.164 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 72.217 71.818 4.676 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 66.142 20.104 38.937 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 65.636 19.781 39.683 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 65.945 21.040 38.901 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 48.851 42.600 -5.408 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 48.862 43.450 -4.969 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 47.962 42.518 -5.752 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 66.126 81.647 -11.257 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 66.793 81.431 -11.909 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 65.721 80.807 -11.042 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 33.818 14.508 -13.760 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 33.320 14.645 -14.565 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 33.156 14.478 -13.070 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 80.669 49.644 40.093 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 80.767 48.824 40.577 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 79.871 49.523 39.577 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 50.039 28.947 50.820 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 49.400 29.459 51.315 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 49.548 28.612 50.069 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 26.227 90.538 49.041 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 25.974 90.465 48.121 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 25.459 90.237 49.526 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 37.949 17.314 36.078 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 37.653 17.723 36.891 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 37.479 17.781 35.388 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 22.013 66.379 32.629 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 21.263 65.784 32.660 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 22.284 66.376 31.711 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 50.739 12.783 10.689 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 50.031 12.898 11.322 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 50.431 13.228 9.900 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 43.331 2.829 57.412 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 43.061 2.515 58.275 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 44.287 2.848 57.452 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 70.441 79.642 59.980 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 70.169 79.323 60.840 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 71.347 79.347 59.890 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 29.309 70.191 -5.390 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 29.913 70.840 -5.030 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 29.785 69.801 -6.124 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 48.610 12.016 43.591 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 48.917 11.109 43.600 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 48.087 12.084 42.793 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 22.720 27.887 31.398 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 22.538 28.191 30.509 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 23.089 27.012 31.281 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 37.325 15.478 15.157 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 37.226 14.905 15.917 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 37.451 16.351 15.529 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 85.291 89.138 31.292 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 86.119 88.820 31.651 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 84.623 88.787 31.882 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 65.888 24.827 19.895 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 65.850 25.783 19.857 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 65.179 24.535 19.322 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 67.235 36.793 50.873 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 67.741 37.474 50.430 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 66.322 37.033 50.717 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 78.349 28.279 42.015 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 77.943 28.338 41.150 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 77.633 28.443 42.628 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 54.128 79.794 24.987 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 54.499 78.914 24.918 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 53.285 79.734 24.538 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 85.167 20.527 -9.589 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 85.298 19.613 -9.840 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 85.936 20.983 -9.931 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 23.044 54.528 2.518 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 22.980 54.744 3.448 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 23.401 53.640 2.502 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 23.765 26.708 8.987 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 23.356 26.615 9.847 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 24.699 26.576 9.150 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 78.538 67.334 -2.154 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 79.208 66.764 -2.531 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 78.438 67.023 -1.254 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 59.489 1.426 11.033 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 60.013 1.639 11.806 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 59.824 0.577 10.743 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 58.084 78.030 31.105 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 57.204 77.655 31.063 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 58.035 78.678 31.807 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 40.766 71.684 12.901 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 41.213 72.526 12.986 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 41.430 71.034 13.130 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 50.533 42.369 5.162 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 50.283 42.419 6.085 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 51.428 42.708 5.137 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 23.320 20.494 65.085 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 23.544 21.219 65.669 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 22.400 20.641 64.863 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 27.323 2.387 25.250 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 27.563 2.409 24.323 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 26.970 1.508 25.385 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 53.659 24.365 50.033 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 52.963 25.021 50.069 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 53.204 23.527 50.118 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 60.307 26.864 35.982 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 61.011 27.509 35.923 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 60.178 26.565 35.082 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 71.691 91.202 52.419 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 71.717 90.335 52.015 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 72.176 91.764 51.814 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 21.647 43.113 -3.295 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 20.863 43.018 -2.754 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 21.541 43.964 -3.722 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 46.208 26.185 -6.203 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 45.815 25.313 -6.174 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 47.129 26.026 -6.409 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 54.071 79.565 66.204 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 53.771 79.049 66.952 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 55.022 79.600 66.303 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 68.425 67.793 39.618 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 68.043 67.861 40.493 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 67.946 67.078 39.201 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 37.188 94.472 12.779 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 37.550 93.647 12.456 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 37.610 95.145 12.244 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 88.760 40.977 32.497 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 89.666 40.682 32.581 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 88.519 40.760 31.596 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 32.044 45.957 43.279 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 32.300 45.516 44.089 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 31.697 46.802 43.565 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 59.651 29.792 48.713 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 59.007 30.497 48.652 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 60.260 30.081 49.392 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 57.990 38.653 55.659 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 57.462 37.951 56.041 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 57.349 39.270 55.306 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 86.277 28.578 7.019 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 86.971 28.225 7.577 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 86.504 28.282 6.138 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 51.639 30.543 52.516 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 52.418 30.845 52.049 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 51.158 30.024 51.871 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 61.252 48.303 -19.732 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 61.648 48.484 -18.880 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 61.907 47.781 -20.195 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 43.312 18.174 -11.214 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 42.827 18.073 -12.033 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 43.236 17.322 -10.784 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 21.551 36.565 -13.426 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 21.548 35.842 -12.798 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 21.515 36.139 -14.282 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 80.486 1.871 35.192 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 79.711 1.363 35.434 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 81.206 1.446 35.657 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 75.254 28.356 9.494 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 74.812 28.717 10.263 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 75.236 27.409 9.630 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 81.377 58.080 16.081 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 81.694 58.964 15.893 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 81.492 57.605 15.258 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 68.302 29.715 -2.153 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 67.928 29.786 -1.275 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 68.539 28.792 -2.239 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 47.477 48.517 -8.682 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 46.520 48.549 -8.696 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 47.750 49.316 -9.134 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 74.834 55.793 26.024 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 74.251 56.469 25.678 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 74.523 54.981 25.624 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 44.705 39.556 22.796 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 45.015 39.175 21.974 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 45.350 40.231 23.006 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 29.759 11.243 35.198 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 29.711 10.568 35.875 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 30.628 11.132 34.811 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 56.864 87.922 13.721 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 56.821 87.423 14.537 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 57.765 88.242 13.683 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 28.266 13.859 9.508 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 28.575 14.713 9.808 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 29.040 13.442 9.130 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 33.497 86.022 30.152 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 33.824 85.151 30.375 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 33.716 86.563 30.910 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 30.253 33.535 24.002 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 30.678 33.369 24.843 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 30.953 33.867 23.440 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 81.123 17.896 61.284 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 81.427 17.751 60.389 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 81.816 18.415 61.692 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 34.650 23.623 -15.688 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 34.473 23.306 -16.574 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 34.421 24.552 -15.716 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 32.282 46.819 -2.686 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 31.912 46.043 -2.265 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 33.011 47.074 -2.121 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 23.446 52.791 56.916 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 23.820 52.156 56.306 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 22.507 52.778 56.731 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 83.670 70.395 29.638 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 83.549 69.625 30.194 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 83.561 70.066 28.746 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 26.214 74.245 13.400 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 27.042 74.492 13.812 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 25.641 74.017 14.132 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 39.370 51.083 10.493 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 39.694 50.519 11.195 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 39.012 51.847 10.944 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 65.618 20.596 64.736 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 66.523 20.295 64.655 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 65.593 21.058 65.574 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 54.683 22.839 32.959 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 54.567 23.693 32.544 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 54.783 22.228 32.229 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 48.077 5.176 -1.631 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 47.937 4.886 -2.532 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 47.280 5.658 -1.408 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 73.081 51.288 57.524 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 72.474 52.027 57.546 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 73.568 51.402 56.708 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 50.817 49.032 61.924 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 51.065 49.299 61.039 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 50.249 49.737 62.236 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 64.686 24.453 54.439 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 64.206 25.192 54.814 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 64.889 24.728 53.545 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 24.174 78.699 39.518 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 23.534 79.234 39.049 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 24.713 78.309 38.829 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 79.606 55.400 27.366 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 78.830 55.051 26.928 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 79.352 56.281 27.640 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 73.704 72.312 28.083 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 74.011 71.495 28.475 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 73.065 72.653 28.709 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 72.170 28.283 8.147 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 72.131 27.413 7.751 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 71.709 28.188 8.980 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 89.449 79.833 63.857 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 88.623 80.204 64.166 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 90.123 80.380 64.259 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 71.222 92.055 41.748 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 71.865 91.394 42.004 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 70.410 91.564 41.623 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 87.199 29.400 44.425 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 87.334 29.034 45.299 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 86.546 28.827 44.023 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 39.962 8.228 -11.657 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 40.505 8.638 -10.983 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 39.839 8.912 -12.315 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 81.969 48.821 3.700 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 81.949 49.449 2.977 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 82.529 49.231 4.359 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 79.523 41.473 20.401 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 80.239 41.964 20.805 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 78.903 41.322 21.114 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 69.911 21.479 15.331 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 69.166 21.100 15.798 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 70.132 22.265 15.829 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 55.527 71.507 40.635 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 54.709 71.019 40.540 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 55.278 72.303 41.104 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 46.764 89.435 7.970 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 47.675 89.154 8.050 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 46.492 89.624 8.868 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 24.083 47.542 -1.412 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 23.130 47.629 -1.410 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 24.273 46.965 -0.673 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 85.714 12.330 -0.976 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 86.154 12.991 -0.441 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 85.069 12.823 -1.483 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 84.383 76.410 51.844 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 83.659 76.910 52.222 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 84.664 76.928 51.090 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 41.046 18.205 15.596 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 40.953 18.967 16.168 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 41.990 18.118 15.464 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 27.084 37.063 2.841 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 27.746 37.334 3.478 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 27.073 37.767 2.193 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 27.210 42.686 21.117 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 27.672 43.342 20.595 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 26.294 42.770 20.852 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 64.781 19.521 -9.177 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 65.027 19.805 -10.057 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 65.603 19.235 -8.779 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 79.446 42.115 59.636 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 79.850 42.877 59.221 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 79.105 41.597 58.907 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 66.390 95.042 -3.347 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 66.536 95.034 -4.293 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 65.905 95.851 -3.187 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 58.120 59.254 44.991 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 58.780 59.729 44.487 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 57.287 59.505 44.592 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 49.918 12.114 52.659 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 49.752 11.180 52.787 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 50.022 12.211 51.713 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 56.699 55.528 -17.485 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 56.018 55.929 -16.945 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 56.279 54.756 -17.865 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 25.792 92.140 14.312 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 25.301 91.342 14.117 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 25.355 92.509 15.080 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 72.451 35.071 65.522 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 72.134 35.699 64.873 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 71.783 35.077 66.207 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 24.460 70.869 5.293 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 24.486 71.731 5.707 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 25.280 70.451 5.558 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 75.945 39.792 -14.262 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 75.691 39.907 -13.346 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 76.772 40.266 -14.342 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 66.063 55.253 35.472 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 65.517 55.904 35.912 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 65.831 55.332 34.546 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 41.996 44.017 20.563 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 42.868 43.680 20.769 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 41.561 44.093 21.412 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 54.498 22.531 9.932 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 55.000 21.857 10.391 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 54.462 23.264 10.546 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 50.151 16.934 19.746 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 49.232 16.790 19.519 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 50.180 17.835 20.068 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 45.880 41.614 31.527 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 46.448 41.414 30.783 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 45.039 41.843 31.132 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 44.080 19.873 -18.204 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 43.191 20.224 -18.240 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 43.986 19.025 -17.770 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 82.813 76.550 -5.714 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 83.256 76.166 -4.957 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 82.608 77.445 -5.444 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 64.074 61.712 -2.604 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 64.318 62.282 -1.875 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 63.835 60.882 -2.190 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 47.217 91.966 0.646 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 48.075 92.390 0.640 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 46.720 92.419 -0.035 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 63.091 23.768 -5.845 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 63.182 23.991 -4.918 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 63.845 23.209 -6.032 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 85.134 28.832 3.247 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 84.627 28.493 2.509 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 84.637 28.567 4.021 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 70.832 38.282 53.253 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 70.199 38.985 53.102 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 70.530 37.564 52.697 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 62.433 16.321 18.703 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 63.154 15.949 19.212 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 62.711 17.217 18.515 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 55.049 50.023 45.496 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 55.484 49.253 45.863 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 55.445 50.763 45.956 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 65.279 46.522 36.586 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 66.154 46.394 36.219 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 65.385 47.236 37.214 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 75.531 6.556 59.070 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 76.262 6.527 58.453 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 74.857 6.008 58.669 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 48.758 44.883 41.154 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 49.120 44.051 41.458 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 47.936 44.646 40.726 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 57.019 29.686 31.726 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 56.538 30.079 30.998 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 56.914 28.743 31.603 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 75.068 86.559 52.881 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 75.090 87.098 52.090 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 74.598 85.767 52.619 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 30.639 91.305 20.350 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 30.192 91.355 19.505 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 30.888 90.385 20.436 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 63.536 12.876 12.832 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 62.912 12.579 12.171 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 63.472 12.226 13.532 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 67.326 35.093 -10.607 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 67.629 34.209 -10.814 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 66.782 35.342 -11.355 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 72.790 34.042 3.454 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 72.789 33.421 2.725 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 72.882 33.496 4.235 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 41.885 34.964 11.031 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 41.553 35.806 11.342 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 42.780 34.920 11.367 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 84.364 92.900 0.147 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 84.648 93.308 -0.671 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 83.441 92.690 0.004 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 36.835 64.453 20.655 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 37.251 65.308 20.542 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 37.445 63.835 20.252 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 38.355 82.152 58.631 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 37.424 82.221 58.421 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 38.802 82.469 57.846 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 47.196 23.807 38.146 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 47.230 24.764 38.139 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 46.791 23.576 37.310 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 53.373 86.298 58.712 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 53.503 87.108 58.218 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 52.882 86.567 59.488 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 85.843 28.936 66.722 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 85.275 28.174 66.837 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 85.393 29.643 67.185 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 26.554 45.071 -9.437 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 26.040 44.671 -8.735 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 26.465 46.013 -9.293 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 86.164 50.599 -14.050 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 87.088 50.369 -14.144 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 85.796 49.900 -13.509 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 35.738 46.372 -6.647 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 34.990 45.800 -6.821 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 35.651 47.081 -7.283 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 90.656 37.119 41.568 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 90.877 36.342 42.081 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 89.933 37.524 42.047 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 74.080 35.773 24.499 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 73.327 36.351 24.620 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 73.882 35.285 23.700 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 83.757 56.139 19.507 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 83.038 56.732 19.290 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 83.328 55.359 19.858 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 74.770 73.472 33.774 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 74.511 73.103 32.930 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 75.457 72.886 34.091 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 25.828 24.205 39.705 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 26.035 24.049 40.627 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 24.930 24.536 39.714 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 68.690 40.315 10.476 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 68.227 39.748 11.092 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 68.208 41.142 10.502 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 55.785 55.418 14.934 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 56.215 54.563 14.962 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 55.706 55.677 15.852 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 63.783 70.383 23.777 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 63.543 69.458 23.837 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 62.992 70.853 24.039 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 27.476 93.961 5.938 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 26.993 93.428 6.570 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 27.205 93.624 5.084 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 79.967 47.970 -4.200 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 80.767 48.285 -4.621 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 79.348 48.695 -4.289 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 72.496 30.145 62.826 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 72.550 31.096 62.730 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 73.340 29.824 62.506 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 73.819 7.445 -14.982 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 74.140 8.336 -15.121 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 74.493 6.884 -15.364 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 57.703 77.728 55.165 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 56.938 77.913 55.711 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 58.088 78.587 54.991 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 89.447 24.742 60.945 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 88.709 25.134 60.478 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 89.048 24.084 61.515 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 43.987 62.105 11.288 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 44.858 61.820 11.013 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 44.030 63.061 11.273 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 20.942 64.193 -5.043 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 21.476 64.554 -5.751 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 20.044 64.426 -5.277 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 51.086 54.723 1.442 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 51.718 55.075 2.069 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 50.856 53.862 1.791 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 51.948 65.595 18.541 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 51.436 66.391 18.398 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 52.531 65.812 19.268 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 86.482 50.364 29.240 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 85.781 50.321 28.590 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 86.561 51.295 29.446 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 39.382 29.985 26.302 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 39.263 30.508 25.509 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 39.265 30.607 27.020 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 49.007 54.864 39.589 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 48.942 55.657 39.058 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 48.707 55.132 40.458 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 66.152 90.151 25.432 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 66.651 89.560 25.997 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 66.810 90.730 25.049 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 40.192 54.180 -3.938 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 40.062 55.088 -3.666 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 41.141 54.060 -3.932 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 84.238 18.424 62.128 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 85.018 18.897 62.416 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 84.212 17.644 62.682 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 78.071 57.016 54.815 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 78.993 57.274 54.801 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 78.090 56.059 54.780 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 53.947 51.194 65.603 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 54.537 50.441 65.618 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 53.570 51.222 66.482 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 32.312 39.699 11.025 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 32.649 40.593 11.080 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 31.458 39.737 11.456 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 72.631 1.028 -18.726 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 72.599 1.963 -18.932 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 71.902 0.891 -18.121 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 26.460 86.608 -4.320 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 27.271 87.033 -4.040 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 26.129 86.179 -3.531 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 75.966 58.457 10.839 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 76.756 58.163 11.293 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 75.277 57.871 11.153 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 25.960 32.004 0.836 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 25.378 32.212 1.567 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 25.486 31.342 0.333 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 39.424 3.297 7.062 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 39.174 3.931 7.734 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 40.294 2.999 7.327 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 23.817 37.637 -6.130 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 24.216 38.352 -6.625 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 23.520 38.044 -5.317 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 44.425 84.088 23.768 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 44.608 83.278 23.291 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 44.866 84.769 23.261 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 69.683 44.868 66.267 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 69.553 44.121 66.851 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 69.328 45.615 66.750 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 63.735 33.473 -7.396 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 64.536 33.971 -7.558 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 63.943 32.923 -6.641 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 82.997 40.635 19.667 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 82.215 40.643 19.115 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 83.353 39.753 19.566 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 43.732 42.595 46.881 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 44.539 42.141 46.638 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 43.613 43.254 46.198 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 78.235 61.535 45.377 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 78.035 61.664 46.304 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 79.184 61.646 45.318 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 39.156 63.575 -11.509 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 38.843 63.828 -12.377 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 38.402 63.154 -11.095 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 74.039 20.051 13.186 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 73.233 19.891 13.677 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 73.764 20.592 12.445 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 53.069 48.418 -1.418 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 52.946 48.690 -0.508 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 53.015 49.230 -1.921 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 57.448 92.856 32.083 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 56.736 92.609 32.673 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 57.731 92.030 31.690 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 78.475 7.424 40.088 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 77.935 7.579 39.313 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 79.277 7.920 39.925 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 66.033 28.151 -16.462 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 65.517 27.795 -17.185 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 65.518 27.954 -15.680 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 55.691 68.944 10.113 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 56.220 69.343 10.804 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 55.681 68.011 10.327 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 74.354 23.844 19.626 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 73.792 23.581 18.897 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 75.228 23.548 19.374 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 56.935 64.418 -16.310 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 56.128 64.469 -16.823 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 56.644 64.206 -15.424 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 71.412 52.255 19.910 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 70.582 51.918 19.574 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 71.208 53.139 20.213 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 32.084 81.353 -7.589 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 32.401 80.775 -6.894 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 31.719 82.107 -7.126 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 54.053 92.960 36.490 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 54.226 92.032 36.648 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 53.104 93.010 36.369 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 90.270 31.896 13.712 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 90.082 32.590 13.080 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 91.167 32.070 14.000 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 77.487 55.343 -0.139 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 78.085 55.915 -0.619 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 77.867 55.280 0.738 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 68.947 49.804 6.292 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 68.526 48.945 6.327 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 68.300 50.403 6.667 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 75.787 26.268 35.290 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 76.164 27.131 35.119 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 75.518 25.949 34.428 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 67.806 56.459 37.230 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 68.521 55.895 37.527 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 67.284 55.900 36.654 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 83.051 71.057 23.991 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 83.295 70.202 23.636 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 83.731 71.253 24.635 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 62.363 20.001 45.046 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 62.031 20.157 44.162 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 61.821 20.555 45.607 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 52.199 23.115 -2.207 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 52.835 22.963 -1.508 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 51.412 23.419 -1.754 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 33.768 29.236 38.834 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 34.013 28.435 39.298 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 33.165 29.683 39.428 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 75.925 41.327 43.242 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 76.333 41.675 42.449 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 76.102 41.987 43.913 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 40.839 78.734 4.961 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 40.262 79.415 4.614 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 40.546 77.931 4.532 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 68.413 23.939 38.012 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 69.015 23.333 37.579 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 68.722 23.977 38.918 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 43.435 60.423 54.623 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 43.484 60.030 53.751 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 43.683 61.338 54.487 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 21.703 41.370 10.709 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 22.493 41.752 11.091 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 21.436 41.997 10.036 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 48.600 89.077 50.480 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 48.722 88.360 49.858 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 48.422 88.644 51.315 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 41.692 68.164 -16.809 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 40.992 68.754 -16.528 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 41.262 67.544 -17.398 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 87.266 41.395 6.176 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 86.579 41.949 5.806 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 87.637 40.936 5.422 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 23.165 4.865 36.411 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 23.075 5.168 35.507 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 22.341 4.416 36.596 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 78.168 24.889 56.296 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 77.518 24.721 55.614 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 78.175 25.841 56.393 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 51.825 38.882 3.952 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 51.585 38.535 3.093 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 52.686 38.504 4.131 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 84.835 9.250 5.576 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 84.818 9.003 4.651 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 84.589 10.175 5.583 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 82.752 66.020 -0.629 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 83.435 65.742 -1.239 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 81.932 65.864 -1.098 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 53.083 32.407 11.359 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 52.378 31.954 10.897 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 52.826 32.376 12.280 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 82.262 49.209 -5.200 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 83.059 48.761 -4.917 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 82.575 49.943 -5.730 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 40.814 33.496 48.732 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 40.929 33.694 49.661 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 41.678 33.643 48.346 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 30.365 22.036 19.163 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 30.087 22.535 19.931 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 31.242 22.368 18.966 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 72.935 56.975 52.532 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 73.685 56.766 51.976 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 72.198 56.521 52.123 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 43.784 29.263 -0.950 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 44.690 28.958 -0.986 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 43.852 30.192 -0.728 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 37.932 0.631 64.572 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 38.469 1.098 63.933 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 38.368 0.786 65.410 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 34.471 64.499 44.620 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 35.111 65.209 44.650 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 34.566 64.126 43.744 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 84.936 62.133 14.372 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 85.230 61.584 15.099 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 85.576 62.843 14.333 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 26.555 40.834 -12.983 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 27.021 41.637 -13.216 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 25.874 41.120 -12.375 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 73.067 2.424 27.936 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 72.781 2.655 28.819 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 73.174 1.473 27.959 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 70.283 82.786 -10.523 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 70.095 83.690 -10.271 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 70.086 82.273 -9.739 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 28.889 62.118 31.779 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 28.902 61.308 31.269 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 29.782 62.205 32.113 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 39.781 86.710 9.487 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 39.842 86.190 8.686 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 40.548 86.454 9.999 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 30.431 26.945 57.550 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 30.941 27.755 57.576 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 30.808 26.402 58.242 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 45.466 49.769 9.989 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 45.957 50.327 9.386 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 46.132 49.394 10.566 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 63.640 32.888 -0.551 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 62.759 33.067 -0.222 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 64.179 32.809 0.236 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 61.839 91.353 20.511 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 61.917 91.956 21.250 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 62.601 90.779 20.587 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 49.386 30.876 3.783 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 49.774 30.356 4.487 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 48.845 31.525 4.234 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 55.579 44.753 -0.666 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 55.338 43.830 -0.591 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 55.622 45.064 0.238 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 62.515 1.494 27.440 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 61.686 1.935 27.254 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 62.904 2.004 28.151 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 60.808 44.461 -5.744 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 60.716 44.426 -4.792 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 61.737 44.293 -5.902 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 53.654 40.101 35.939 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 53.255 39.677 35.180 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 52.933 40.573 36.357 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 32.443 16.770 61.678 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 31.879 16.504 62.404 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 32.123 16.268 60.928 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 80.549 86.857 -12.758 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 80.856 85.959 -12.637 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 80.510 86.972 -13.707 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 74.308 70.440 41.456 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 73.743 71.033 40.961 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 73.731 69.724 41.721 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 60.284 62.890 25.882 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 59.635 63.561 25.671 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 59.833 62.301 26.487 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 58.084 84.287 32.858 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 57.678 84.509 32.020 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 58.003 83.335 32.918 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 70.465 30.923 59.158 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 69.780 31.432 59.593 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 71.031 31.579 58.752 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 43.649 37.677 -16.872 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 43.534 38.236 -16.103 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 44.288 37.019 -16.598 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 55.495 5.536 50.247 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 55.564 4.620 50.514 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 56.401 5.836 50.179 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 29.154 82.169 65.337 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 28.714 82.483 64.548 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 30.075 82.388 65.202 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 59.705 84.233 -10.919 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 60.582 84.532 -10.679 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 59.649 83.346 -10.564 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 38.039 87.392 18.931 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 38.022 86.471 18.671 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 38.933 87.677 18.745 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 51.929 49.758 50.840 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 52.814 49.443 50.658 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 51.845 50.554 50.314 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 32.109 58.994 58.926 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 31.412 58.634 58.378 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 32.909 58.584 58.598 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 67.243 59.936 18.192 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 66.624 60.636 18.400 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 66.746 59.129 18.323 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 85.371 47.245 7.709 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 84.994 48.078 7.425 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 85.336 46.689 6.931 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 57.098 1.093 37.984 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 57.302 1.385 37.095 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 57.226 1.870 38.527 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 72.180 73.918 -16.818 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 72.417 73.222 -17.431 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 73.007 74.361 -16.628 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 34.890 54.055 20.793 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 35.698 54.341 21.220 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 34.831 53.121 20.991 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 79.438 25.193 10.254 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 79.058 24.339 10.461 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 80.381 25.032 10.211 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 68.058 17.557 25.213 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 67.817 17.119 24.397 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 68.236 18.462 24.957 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 44.347 4.053 66.065 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 44.317 3.198 65.637 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 44.110 3.875 66.976 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 55.631 68.683 28.682 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 54.984 69.347 28.441 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 55.338 67.890 28.234 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 49.601 51.979 -1.355 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 50.397 51.849 -0.840 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 49.000 52.425 -0.760 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 25.725 50.804 24.356 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 25.648 50.305 25.170 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 26.652 50.746 24.125 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 38.561 84.447 -3.062 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 37.821 84.448 -3.668 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 39.120 85.163 -3.364 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 82.443 34.940 -18.544 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 82.284 35.352 -19.393 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 83.166 35.441 -18.166 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 65.971 64.631 2.919 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 66.515 65.412 3.015 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 65.081 64.934 3.101 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 42.531 76.351 19.970 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 42.300 75.460 19.705 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 42.850 76.259 20.868 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 40.258 91.565 22.533 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 39.559 91.376 23.159 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 39.857 92.155 21.896 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 56.334 28.850 61.497 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 56.150 28.998 62.425 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 55.640 29.321 61.037 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 38.264 36.232 61.357 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 38.105 37.154 61.559 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 38.840 36.250 60.593 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 42.699 33.004 34.628 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 43.233 33.789 34.747 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 42.298 33.115 33.766 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 81.321 93.658 27.052 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 82.156 93.501 27.494 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 80.785 94.109 27.704 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 77.922 1.444 60.719 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 78.076 1.954 61.514 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 78.120 0.542 60.970 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 55.949 48.158 61.901 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 56.118 49.042 61.573 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 55.341 48.284 62.628 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 88.628 7.106 -13.122 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 89.502 7.270 -12.767 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 88.121 6.789 -12.374 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 37.211 65.625 58.418 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 38.036 66.111 58.426 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 37.395 64.849 57.888 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 48.651 38.257 63.995 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 48.905 38.542 63.117 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 49.206 38.769 64.583 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 55.392 57.111 9.759 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 55.719 57.037 10.655 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 56.083 56.726 9.219 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 28.674 67.582 39.492 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 29.442 68.027 39.849 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 28.292 68.215 38.883 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 34.872 63.719 6.169 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 34.411 62.889 6.287 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 35.712 63.591 6.609 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 31.642 63.960 39.896 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 30.943 64.306 39.342 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 32.441 64.091 39.385 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 30.948 33.304 47.684 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 30.657 34.147 48.032 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 30.506 32.653 48.229 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 57.907 8.628 31.434 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 58.478 8.196 30.798 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 57.904 8.042 32.190 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 84.006 56.301 24.232 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 83.187 56.099 24.685 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 84.688 56.133 24.881 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 79.389 51.917 61.598 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 80.220 51.917 61.123 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 79.618 52.202 62.483 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 54.044 82.975 -5.341 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 54.303 82.294 -4.720 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 53.444 82.535 -5.944 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 77.044 48.954 58.977 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 77.500 48.127 58.820 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 77.139 49.440 58.158 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 32.712 3.714 27.708 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 31.874 3.673 27.248 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 33.353 3.406 27.067 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 61.795 74.574 34.355 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 61.902 73.946 33.641 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 61.080 74.218 34.883 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 82.005 37.880 10.000 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 81.704 37.072 10.414 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 81.804 38.566 10.638 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 52.019 8.835 -8.839 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 52.808 8.752 -9.376 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 51.454 9.428 -9.333 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 50.346 29.362 -1.424 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 50.137 29.749 -0.573 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 50.209 30.073 -2.050 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 44.289 11.416 21.022 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 45.192 11.604 20.766 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 43.760 11.750 20.298 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 84.820 38.531 3.455 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 85.027 38.523 2.521 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 85.658 38.370 3.888 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 74.880 87.141 27.386 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 73.937 87.061 27.534 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 74.953 87.670 26.591 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 70.035 72.706 5.728 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 70.122 73.593 6.075 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 69.189 72.705 5.280 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 70.183 0.282 58.038 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 70.395 0.546 57.143 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 70.360 1.061 58.566 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 28.760 95.606 -19.513 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 29.353 95.160 -20.119 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 28.160 94.921 -19.216 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 38.889 38.791 0.159 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 39.556 39.440 -0.066 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 38.097 39.305 0.316 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 66.533 87.454 -3.884 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 67.273 87.900 -4.298 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 66.876 86.593 -3.644 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 53.347 31.080 21.164 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 53.723 31.876 20.787 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 52.750 30.755 20.490 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 42.060 85.218 57.611 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 42.159 84.800 58.466 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 41.519 85.990 57.782 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 50.245 87.320 65.053 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 50.314 86.722 65.797 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 49.959 88.149 65.437 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 23.447 75.295 59.904 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 23.953 74.888 59.201 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 23.394 74.622 60.582 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 65.935 71.664 22.100 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 65.491 71.093 22.728 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 65.232 72.184 21.710 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 65.441 60.900 -16.376 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 64.926 60.285 -16.898 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 66.166 60.377 -16.034 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 39.098 62.266 15.245 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 39.986 62.592 15.395 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 39.133 61.347 15.510 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 50.137 90.793 -5.580 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 49.606 91.332 -6.166 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 49.501 90.282 -5.081 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 30.903 96.345 17.485 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 30.744 95.495 17.896 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 30.414 96.309 16.662 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 50.151 43.678 54.735 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 49.721 42.931 54.318 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 49.555 43.937 55.438 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 76.509 22.446 -17.661 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 76.850 21.564 -17.811 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 76.331 22.787 -18.537 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 38.295 6.734 -14.978 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 38.012 5.918 -15.390 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 38.709 7.228 -15.685 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 44.503 22.887 64.212 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 45.004 23.700 64.145 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 44.509 22.529 63.324 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 29.578 32.738 -2.673 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 28.629 32.861 -2.629 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 29.860 33.304 -3.391 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 72.278 63.790 -9.453 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 71.890 63.604 -10.308 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 71.802 64.557 -9.135 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 49.549 14.882 9.225 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 49.744 15.192 8.340 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 49.713 15.640 9.786 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 76.190 80.814 7.877 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 76.777 80.114 8.161 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 76.774 81.534 7.635 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 81.167 9.389 62.359 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 80.693 9.737 61.604 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 80.939 8.460 62.377 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 33.710 2.067 51.676 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 34.542 2.151 51.211 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 33.768 2.704 52.388 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 28.136 86.531 52.600 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 28.669 85.929 52.080 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 28.373 86.338 53.507 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 59.151 57.989 37.691 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 58.387 58.538 37.518 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 58.898 57.120 37.379 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 61.651 31.780 61.030 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 62.067 31.636 60.180 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 61.602 32.732 61.115 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 86.135 79.665 62.231 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 85.963 80.600 62.122 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 85.523 79.386 62.913 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 88.156 59.138 9.385 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 88.156 58.732 8.519 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 89.083 59.212 9.616 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 35.275 92.076 63.208 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 35.163 92.104 62.258 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 36.034 92.633 63.377 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 26.838 67.703 56.834 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 27.350 66.982 56.468 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 27.181 68.485 56.401 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 68.163 3.305 11.250 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 67.749 2.988 10.447 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 68.545 4.149 11.006 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 39.092 35.188 27.022 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 39.316 35.834 27.692 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 39.607 35.447 26.258 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 25.476 46.731 5.264 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 26.412 46.817 5.081 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 25.431 46.534 6.200 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 20.338 1.819 -9.350 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 19.956 2.216 -10.132 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 21.020 1.237 -9.685 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 58.352 38.766 -2.665 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 57.870 39.017 -3.453 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 57.748 38.951 -1.945 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 35.179 23.999 -1.064 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 35.672 23.475 -0.432 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 34.273 23.711 -0.961 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 38.527 45.613 61.431 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 38.575 45.187 60.576 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 38.016 45.010 61.971 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 39.426 68.501 19.051 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 40.048 68.886 18.434 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 39.337 67.592 18.767 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 77.662 79.915 56.297 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 77.711 79.791 57.245 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 77.351 79.075 55.961 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 55.935 30.568 29.388 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 55.149 30.845 29.859 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 55.665 30.535 28.470 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 71.291 22.676 48.678 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 70.613 22.189 49.147 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 71.034 23.594 48.769 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 89.887 28.641 -3.868 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 89.470 28.937 -4.677 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 89.690 29.327 -3.231 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 24.355 75.741 20.549 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 24.976 75.023 20.424 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 23.988 75.592 21.420 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 35.123 51.409 19.647 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 35.640 50.839 20.215 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 35.608 51.429 18.822 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 44.482 26.476 38.751 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 44.550 26.383 39.702 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 44.139 27.360 38.622 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 50.249 70.249 -16.418 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 50.106 69.509 -15.828 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 50.060 71.021 -15.884 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 70.063 95.955 42.628 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 69.902 96.816 42.241 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 70.813 96.089 43.208 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 56.214 13.974 53.067 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 55.942 14.478 53.833 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 57.163 13.887 53.162 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 38.848 76.102 26.226 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 39.733 75.822 25.988 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 38.868 76.176 27.180 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 53.779 59.652 59.254 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 53.517 59.950 58.383 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 53.257 60.182 59.856 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 81.242 73.647 67.113 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 80.800 74.288 66.556 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 81.030 72.801 66.719 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 68.378 54.829 57.459 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 68.567 55.762 57.558 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 67.808 54.779 56.692 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 63.890 87.939 -4.757 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 64.797 87.909 -4.454 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 63.538 88.746 -4.382 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 33.953 70.123 19.067 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 34.741 69.621 18.858 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 34.254 70.803 19.670 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 79.059 48.941 -8.740 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 79.472 49.621 -8.206 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 79.372 48.118 -8.364 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 38.048 4.594 4.408 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 37.127 4.684 4.654 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 38.530 4.759 5.218 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 44.578 38.663 30.327 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 45.447 38.619 30.725 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 44.504 37.854 29.821 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 49.195 46.061 -13.693 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 49.442 45.646 -12.866 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 48.378 46.518 -13.497 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 67.193 55.109 48.397 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 66.367 54.634 48.488 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 67.851 54.519 48.765 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 40.154 10.926 39.996 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 40.865 10.513 39.506 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 39.622 11.360 39.328 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 54.301 2.369 47.621 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 53.590 2.962 47.865 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 55.044 2.946 47.444 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 55.610 7.676 3.539 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 55.984 8.065 4.329 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 56.264 7.838 2.859 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 58.824 20.685 12.212 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 57.984 21.021 11.898 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 58.854 19.782 11.896 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 71.564 69.068 65.989 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 71.135 68.309 66.385 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 72.020 69.492 66.715 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 25.244 15.580 37.696 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 25.749 15.485 38.504 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 25.284 16.515 37.496 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 65.457 82.711 25.991 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 64.944 82.849 26.787 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 66.213 82.199 26.279 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 51.606 86.858 -11.952 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 50.773 86.972 -11.496 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 51.585 85.956 -12.270 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 48.504 92.102 58.063 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 47.835 91.622 57.574 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 49.319 91.921 57.595 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 30.046 96.082 27.130 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 30.846 96.159 27.651 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 30.350 96.076 26.223 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 70.088 64.974 26.688 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 69.153 65.144 26.571 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 70.412 64.799 25.804 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 49.893 20.675 53.848 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 49.808 19.795 53.480 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 49.752 20.557 54.787 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 83.748 43.864 11.107 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 83.583 43.111 11.676 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 84.663 43.769 10.843 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 27.947 31.965 -17.601 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 28.521 32.705 -17.404 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 28.491 31.192 -17.449 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 34.207 20.709 19.358 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 34.011 21.645 19.403 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 34.416 20.552 18.437 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 86.325 30.204 40.384 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 85.467 30.224 40.808 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 86.132 30.268 39.448 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 37.034 31.626 11.424 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 37.121 32.039 12.283 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 37.287 30.714 11.570 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 32.748 50.712 13.624 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 33.398 50.372 14.237 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 33.082 51.573 13.372 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 71.228 22.799 -4.779 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 71.806 23.509 -5.060 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 70.894 23.084 -3.928 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 68.136 91.531 15.005 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 68.656 90.941 15.552 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 67.454 90.973 14.633 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 69.474 56.618 64.275 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 70.156 57.278 64.404 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 69.793 56.082 63.549 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 38.035 15.482 38.426 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 38.944 15.755 38.548 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 38.089 14.720 37.848 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 35.659 89.867 32.647 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 36.186 90.191 33.378 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 35.101 89.192 33.034 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 27.775 38.212 10.493 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 28.067 39.081 10.770 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 28.583 37.733 10.314 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 43.693 25.504 60.316 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 42.820 25.854 60.142 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 43.855 25.711 61.237 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 60.577 91.199 -18.793 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 61.500 91.436 -18.882 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 60.389 90.672 -19.570 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 39.122 86.069 48.292 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 39.820 86.712 48.166 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 38.748 86.284 49.146 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 23.742 67.196 0.347 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 24.523 67.719 0.528 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 23.870 66.873 -0.545 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 86.992 21.704 38.468 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 86.575 22.470 38.864 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 87.912 21.952 38.377 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 66.385 58.461 32.716 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 65.434 58.553 32.763 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 66.659 58.336 33.625 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 65.160 46.909 52.704 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 65.334 47.800 52.400 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 64.221 46.786 52.563 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 90.144 9.564 10.027 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 90.659 8.917 10.507 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 89.290 9.560 10.459 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 60.717 24.306 61.528 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 60.698 25.037 60.910 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 59.848 23.910 61.459 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 43.192 85.339 33.951 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 42.947 85.703 33.100 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 43.570 84.484 33.747 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 38.117 11.682 -9.466 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 37.271 11.514 -9.883 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 38.172 12.636 -9.410 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 25.643 53.898 6.432 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 25.472 54.233 7.313 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 25.307 54.578 5.848 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 71.955 18.291 46.485 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 71.685 18.044 45.601 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 71.416 19.053 46.697 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 52.724 37.919 -17.089 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 51.879 37.469 -17.109 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 53.110 37.668 -16.250 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 50.988 80.793 -12.527 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 51.554 80.051 -12.317 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 50.129 80.403 -12.686 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 49.469 95.416 12.033 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 48.618 95.026 12.232 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 49.447 96.271 12.462 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 85.094 26.738 -5.610 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 84.387 26.661 -4.969 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 85.210 25.850 -5.948 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 36.011 34.689 -15.257 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 36.776 34.120 -15.170 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 36.376 35.563 -15.397 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 88.339 47.573 33.080 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 87.693 47.285 32.436 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 87.975 47.302 33.923 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 79.801 38.378 29.493 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 79.871 38.569 30.429 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 80.427 38.973 29.080 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 45.774 20.228 19.785 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 45.587 20.109 20.716 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 46.445 20.910 19.761 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 38.428 38.282 12.814 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 38.859 39.095 12.551 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 38.894 38.007 13.603 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 31.959 76.331 64.217 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 31.899 75.752 63.458 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 32.070 75.740 64.962 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 82.058 46.782 -1.837 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 82.566 46.917 -1.037 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 81.778 47.660 -2.095 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 76.965 11.376 44.807 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 76.604 11.154 43.949 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 77.685 11.977 44.617 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 83.860 87.940 52.855 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 83.179 88.288 52.280 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 83.823 86.993 52.728 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 24.511 66.952 51.098 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 23.923 67.349 51.740 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 24.398 67.483 50.310 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 59.700 45.869 -9.750 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 58.751 45.932 -9.858 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 59.849 46.049 -8.822 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 43.740 84.625 18.011 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 44.304 84.368 17.282 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 43.885 83.951 18.675 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 58.523 92.940 14.496 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 59.474 92.835 14.525 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 58.311 93.431 15.290 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 24.178 81.889 16.681 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 24.480 80.994 16.837 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 23.223 81.827 16.702 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 63.153 26.467 7.661 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 62.763 26.199 8.493 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 63.367 25.645 7.221 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 22.516 21.521 33.387 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 22.721 20.663 33.016 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 23.357 21.978 33.415 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 57.758 86.460 39.588 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 58.589 86.009 39.733 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 57.242 85.849 39.062 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 25.992 60.637 -10.703 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 25.835 60.123 -9.912 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 25.789 60.039 -11.423 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 26.065 88.873 62.752 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 26.325 89.084 63.649 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 26.613 89.437 62.205 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 36.912 64.838 12.972 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 37.020 65.756 12.723 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 37.552 64.368 12.437 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 36.081 70.977 -12.140 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 36.934 71.407 -12.082 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 36.278 70.093 -12.448 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 76.893 29.640 12.220 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 76.504 29.635 11.346 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 76.155 29.500 12.813 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 32.985 90.439 49.128 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 33.480 90.026 48.420 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 32.890 89.752 49.787 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 34.111 88.559 65.656 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 33.838 88.419 66.563 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 34.979 88.956 65.726 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 81.703 88.410 -8.871 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 81.296 89.050 -8.288 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 81.505 88.728 -9.752 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 25.460 44.866 16.528 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 25.657 45.637 15.997 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 25.397 45.201 17.423 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 29.329 33.259 61.082 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 29.672 32.493 60.621 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 28.484 33.430 60.666 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 41.569 5.732 -2.229 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 42.337 5.410 -1.758 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 41.837 5.742 -3.147 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 65.752 32.034 30.699 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 65.325 31.196 30.521 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 65.220 32.679 30.232 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 38.542 93.506 21.503 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 38.264 93.570 22.417 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 37.729 93.378 21.014 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 55.031 84.197 -15.330 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 55.934 84.433 -15.543 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 54.795 84.780 -14.608 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 28.773 44.303 45.130 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 29.288 45.003 45.531 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 28.093 44.107 45.775 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 40.909 32.671 30.041 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 40.830 32.671 30.995 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 41.740 33.114 29.870 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 79.069 55.987 19.353 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 78.611 56.827 19.328 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 79.893 56.150 18.893 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 64.087 52.568 64.395 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 63.956 51.732 64.842 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 63.319 53.089 64.632 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 36.590 53.529 45.421 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 36.545 53.643 44.472 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 37.497 53.275 45.591 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 43.336 47.334 48.812 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 43.877 46.548 48.884 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 43.043 47.341 47.901 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 57.858 8.400 9.781 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 57.748 7.606 10.304 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 56.980 8.778 9.731 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 56.999 30.976 17.016 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 56.096 31.285 17.088 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 57.290 30.871 17.922 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 71.402 35.518 31.865 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 72.292 35.743 32.135 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 70.848 35.832 32.579 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 31.091 69.500 35.407 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 30.670 68.952 36.070 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 31.866 69.004 35.142 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 31.349 89.286 32.325 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 30.794 88.882 31.659 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 31.897 89.903 31.839 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 89.440 76.633 28.727 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 90.369 76.828 28.849 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 89.383 76.285 27.837 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 40.563 21.137 44.524 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 41.299 21.080 43.915 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 40.101 21.935 44.269 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 89.960 54.263 41.929 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 90.783 53.813 41.738 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 89.802 54.090 42.857 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 88.749 56.778 20.266 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 89.337 56.097 20.591 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 87.879 56.381 20.301 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 77.701 80.593 33.486 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 78.038 81.246 34.099 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 77.682 81.043 32.641 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 73.757 45.771 12.981 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 74.213 45.270 13.658 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 73.540 46.602 13.403 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 87.112 56.913 6.283 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 86.457 57.579 6.074 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 86.706 56.087 6.020 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 25.133 54.128 -15.122 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 24.882 53.385 -14.573 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 24.407 54.228 -15.738 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 21.704 21.327 6.717 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 21.671 22.212 7.081 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 22.288 20.848 7.306 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 90.126 71.641 -14.058 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 89.676 70.797 -14.087 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 89.738 72.093 -13.308 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 56.726 58.778 -12.519 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 57.322 58.658 -11.780 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 56.922 58.049 -13.107 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 55.739 35.199 15.193 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 55.195 34.482 15.518 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 56.139 35.572 15.978 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 71.858 42.509 5.005 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 72.114 42.403 5.921 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 71.577 41.636 4.732 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 86.031 29.616 63.627 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 85.895 28.710 63.348 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 85.707 29.641 64.527 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 33.932 33.281 11.778 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 33.558 33.307 10.898 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 34.870 33.413 11.645 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 21.519 63.321 38.929 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 21.959 62.472 38.904 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 21.955 63.838 38.251 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 30.108 4.927 24.212 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 30.491 5.790 24.055 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 29.414 4.850 23.557 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 28.455 17.925 57.771 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 28.396 18.735 58.278 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 29.372 17.879 57.497 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 59.134 57.261 65.823 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 59.162 58.178 66.096 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 58.477 56.861 66.393 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 29.715 49.847 36.974 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 30.189 49.068 36.681 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 29.600 49.717 37.916 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 25.575 55.924 33.058 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 25.546 55.046 32.678 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 26.144 56.421 32.470 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 34.109 57.235 0.539 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 35.019 56.960 0.651 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 33.822 57.478 1.420 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 56.111 25.945 4.207 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 56.856 26.546 4.221 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 55.400 26.435 4.621 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 82.783 27.657 58.734 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 82.082 28.098 58.254 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 82.534 26.733 58.727 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 41.277 49.209 46.734 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 41.935 48.621 46.363 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 41.766 49.763 47.342 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 61.165 2.438 -2.493 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 61.370 3.184 -1.929 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 61.496 1.678 -2.016 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 45.848 9.322 -16.470 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 45.610 10.163 -16.080 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 45.294 9.254 -17.248 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 40.409 13.855 -3.712 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 40.233 14.697 -4.132 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 40.587 14.075 -2.797 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 37.674 32.549 55.045 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 38.187 32.482 54.239 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 37.464 31.643 55.271 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 76.458 33.097 66.708 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 76.061 33.894 66.357 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 77.175 32.899 66.105 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 25.815 64.732 4.618 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 26.670 64.548 4.229 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 25.778 65.687 4.674 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 71.884 15.745 -16.807 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 72.472 15.858 -17.553 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 71.199 15.158 -17.127 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 47.562 70.422 -1.056 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 48.403 70.601 -1.476 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 47.677 69.565 -0.644 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 47.783 54.982 8.913 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 47.048 55.166 9.498 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 48.491 55.539 9.234 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 70.205 60.431 -2.763 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 69.935 60.540 -1.851 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 69.400 60.548 -3.267 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 23.994 21.940 10.913 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 23.852 22.522 11.659 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 24.764 22.300 10.472 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 83.056 40.467 16.062 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 82.135 40.577 16.298 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 83.422 39.931 16.766 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 30.596 39.062 57.450 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 31.542 39.158 57.341 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 30.219 39.704 56.847 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 57.446 25.681 44.466 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 56.895 26.462 44.515 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 57.805 25.696 43.579 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 39.714 21.675 51.755 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 39.175 22.446 51.931 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 40.022 21.797 50.857 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 75.883 66.514 56.411 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 75.971 67.005 55.593 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 75.448 67.121 57.009 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 41.755 17.697 49.109 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 41.758 16.970 48.486 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 42.568 18.170 48.930 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 33.077 41.802 21.672 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 32.464 41.569 20.975 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 33.833 42.170 21.214 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 82.229 90.740 48.741 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 82.230 91.022 47.827 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 82.624 91.470 49.218 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 49.843 44.615 12.631 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 50.549 44.903 13.209 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 49.050 44.992 13.014 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 78.040 12.430 -16.820 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 77.188 12.134 -17.140 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 78.333 11.730 -16.236 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 22.671 49.912 -5.070 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 23.476 49.445 -4.845 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 21.968 49.316 -4.811 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 52.974 67.075 45.868 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 52.991 66.989 44.915 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 52.106 66.761 46.123 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 35.850 35.092 45.183 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 35.023 34.733 44.861 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 35.729 35.162 46.130 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 75.806 12.122 57.248 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 75.383 11.565 56.594 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 76.595 11.641 57.499 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 23.965 9.046 2.256 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 23.353 8.639 2.869 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 24.549 8.335 1.993 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 34.029 3.645 -1.590 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 34.264 3.041 -2.295 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 34.480 3.300 -0.819 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 57.519 51.043 66.330 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 57.735 50.876 65.412 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 58.323 50.837 66.806 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 46.993 1.153 -2.850 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 46.608 0.288 -2.990 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 47.146 1.197 -1.906 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 38.017 68.267 28.106 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 37.687 67.396 27.882 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 38.939 68.247 27.851 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 37.133 68.395 65.008 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 38.017 68.027 65.024 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 37.267 69.343 65.012 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 62.684 30.963 34.745 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 63.269 31.281 34.057 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 62.013 31.641 34.821 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 78.674 21.246 65.749 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 77.742 21.060 65.860 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 78.723 22.200 65.687 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 20.618 63.698 20.876 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 20.047 63.183 21.447 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 21.362 63.122 20.698 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 88.574 11.830 38.956 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 89.511 11.633 38.965 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 88.254 11.509 39.799 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 74.293 17.614 44.656 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 73.428 17.624 44.248 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 74.424 16.703 44.919 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 38.697 95.790 46.252 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 39.342 96.325 46.715 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 38.433 96.327 45.504 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 25.621 42.077 44.194 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 26.032 41.436 44.774 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 24.891 41.605 43.793 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 53.237 85.787 -18.747 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 52.565 86.184 -19.301 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 52.856 84.956 -18.465 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 47.092 28.503 57.733 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 46.348 28.912 58.174 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 46.851 28.501 56.807 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 54.737 40.182 66.801 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 54.743 39.686 67.620 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 55.550 39.930 66.363 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 31.339 0.593 29.814 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 31.327 0.290 30.722 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 32.155 1.088 29.737 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 79.348 43.599 47.170 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 79.532 44.095 47.967 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 78.395 43.514 47.155 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 46.263 5.665 30.421 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 46.594 5.749 31.316 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 46.815 4.992 30.023 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 65.483 42.850 55.455 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 65.677 43.595 56.024 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 65.273 42.136 56.057 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 42.578 10.818 1.525 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 42.248 11.288 2.291 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 43.265 10.249 1.871 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 71.256 2.848 48.482 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 70.679 2.170 48.834 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 70.863 3.086 47.642 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 86.976 25.541 59.711 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 86.623 26.181 59.093 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 86.311 24.853 59.750 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 55.812 83.182 -2.407 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 56.318 82.393 -2.597 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 55.381 82.996 -1.573 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 87.483 38.498 1.153 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 87.593 38.179 2.049 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 87.069 37.770 0.689 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 62.019 10.525 46.054 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 62.210 10.075 45.231 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 61.314 10.011 46.449 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 85.672 57.122 42.312 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 85.332 57.730 41.655 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 85.125 57.272 43.083 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 28.570 91.322 -13.824 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 29.017 91.030 -13.029 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 29.262 91.370 -14.484 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 77.256 23.191 -7.457 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 77.090 23.549 -8.329 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 76.997 23.890 -6.856 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 72.303 12.104 45.526 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 71.692 11.464 45.890 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 72.776 11.624 44.846 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 58.238 18.749 -18.686 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 57.300 18.933 -18.738 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 58.377 18.465 -17.782 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 48.048 45.844 43.876 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 47.177 46.201 43.706 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 48.219 45.263 43.135 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 45.667 31.478 40.734 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 44.900 32.008 40.517 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 46.412 32.007 40.449 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 89.722 53.331 -13.134 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 90.139 52.470 -13.138 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 90.408 53.930 -12.839 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 49.167 76.701 14.512 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 48.861 77.126 15.313 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 49.724 75.986 14.818 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 22.361 70.934 55.058 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 23.185 70.843 54.578 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 22.449 70.338 55.801 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 72.732 65.588 -12.933 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 71.795 65.723 -12.795 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 72.810 65.378 -13.864 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 41.698 43.858 15.617 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 41.683 44.391 16.413 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 41.981 42.993 15.913 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 45.395 67.147 57.709 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 46.318 67.386 57.797 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 45.170 67.384 56.809 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 54.262 13.418 -14.914 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 54.899 13.123 -15.565 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 53.411 13.202 -15.296 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 61.132 17.192 44.503 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 61.499 17.879 43.946 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 61.140 16.408 43.954 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 53.438 66.518 64.401 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 52.869 67.046 64.961 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 53.103 66.662 63.516 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 88.037 79.735 51.840 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 88.608 80.294 51.313 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 88.637 79.168 52.324 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 23.899 39.774 8.759 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 24.752 39.354 8.869 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 24.103 40.653 8.439 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 34.013 45.482 0.149 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 34.329 46.346 -0.116 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 34.743 44.892 -0.035 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 65.078 52.584 35.325 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 64.181 52.881 35.477 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 65.625 53.282 35.686 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 61.138 93.025 -3.639 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 62.086 93.136 -3.700 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 60.803 93.905 -3.471 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 65.273 16.939 33.922 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 66.148 16.600 33.737 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 65.361 17.889 33.842 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 22.491 33.567 1.861 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 23.239 33.090 2.220 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 22.249 34.186 2.550 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 37.219 44.783 52.486 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 37.664 44.945 51.655 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 37.168 45.643 52.903 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 69.353 95.225 -2.917 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 70.009 95.152 -2.224 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 68.538 94.933 -2.507 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 80.815 60.709 11.644 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 81.396 59.975 11.844 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 80.061 60.583 12.220 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 37.159 31.796 8.920 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 37.563 32.628 8.673 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 37.065 31.848 9.871 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 46.516 5.238 -4.271 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 45.960 5.978 -4.024 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 46.020 4.465 -4.001 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 50.522 79.500 -8.700 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 50.031 78.835 -9.184 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 50.034 80.311 -8.847 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 30.803 61.253 20.175 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 31.634 61.124 20.632 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 30.723 62.203 20.086 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 48.581 37.127 26.255 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 48.897 36.267 25.978 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 47.815 36.938 26.796 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 74.186 88.710 65.564 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 73.906 89.617 65.434 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 74.541 88.445 64.715 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 53.741 66.660 24.619 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 53.618 65.929 24.014 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 53.632 67.441 24.076 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 57.264 21.575 54.719 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 57.538 22.321 55.253 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 56.432 21.849 54.333 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 58.929 31.445 -15.719 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 59.750 31.078 -15.391 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 58.657 32.068 -15.045 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 69.202 23.381 -6.978 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 69.827 23.234 -6.268 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 69.627 24.027 -7.542 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 58.931 35.067 13.651 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 58.833 35.507 14.496 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 58.698 35.734 13.005 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 36.861 92.637 25.890 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 36.594 91.858 26.379 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 36.212 93.300 26.123 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 90.033 73.874 31.980 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 89.396 73.963 31.271 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 89.812 74.578 32.590 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 30.672 68.660 -1.807 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 30.329 69.544 -1.943 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 31.586 68.794 -1.557 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 38.528 36.635 48.361 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 38.929 36.469 49.213 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 39.267 36.794 47.774 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 27.269 88.663 27.974 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 26.694 87.899 28.022 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 28.121 88.341 28.270 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 27.674 50.283 35.168 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 28.420 50.340 35.764 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 27.441 49.354 35.163 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 46.843 48.302 40.612 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 46.417 49.148 40.474 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 47.250 48.098 39.770 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 43.465 55.660 8.104 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 44.184 56.102 8.555 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 43.464 54.773 8.464 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 82.920 76.739 18.425 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 82.546 75.984 18.879 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 82.866 76.513 17.497 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 30.254 60.964 39.048 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 29.766 61.664 38.614 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 30.398 61.287 39.937 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 71.957 46.061 52.504 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 72.045 45.181 52.137 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 71.112 46.372 52.181 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 31.176 92.979 35.150 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 30.471 92.444 34.784 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 31.135 92.818 36.092 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 23.955 51.925 52.594 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 24.072 52.855 52.786 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 23.033 51.843 52.351 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 52.296 18.682 39.348 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 51.576 18.786 38.727 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 52.074 19.264 40.075 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 90.181 80.847 41.949 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 89.526 81.235 42.529 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 89.771 80.854 41.084 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 82.783 56.387 48.812 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 83.544 55.870 48.547 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 82.824 57.172 48.266 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 85.414 74.220 64.680 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 85.113 74.450 63.800 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 84.735 73.637 65.020 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 76.123 95.331 36.242 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 75.295 95.807 36.178 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 76.105 94.934 37.113 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 57.811 78.414 45.870 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 57.310 78.260 46.671 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 58.223 77.571 45.680 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 85.715 11.059 -8.976 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 86.553 11.355 -9.329 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 85.221 10.766 -9.742 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 77.230 87.434 -8.739 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 77.876 86.795 -8.437 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 77.588 87.768 -9.561 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 57.669 40.385 44.487 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 56.887 40.414 45.039 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 57.974 41.292 44.456 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 43.751 46.203 40.620 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 43.394 46.413 39.757 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 43.283 46.782 41.221 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 62.297 16.700 33.142 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 63.196 16.488 33.391 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 61.785 15.940 33.418 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 37.943 4.081 48.751 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 38.065 4.213 49.691 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 38.597 4.647 48.342 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 77.817 48.368 52.861 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 77.493 49.260 52.736 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 78.741 48.411 52.613 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 42.810 87.634 -11.002 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 42.146 87.166 -10.496 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 42.451 87.675 -11.889 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 60.623 21.731 22.566 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 59.851 21.827 23.123 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 60.509 20.881 22.142 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 29.161 49.073 27.208 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 29.386 49.621 27.960 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 29.377 48.183 27.486 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 64.790 25.731 34.093 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 65.740 25.785 34.202 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 64.578 26.438 33.485 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 63.980 59.878 21.924 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 63.159 60.169 21.526 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 64.159 59.032 21.514 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 66.765 37.015 -12.633 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 67.534 37.381 -12.196 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 66.877 37.249 -13.554 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 55.981 41.045 2.472 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 56.197 40.453 3.193 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 55.363 40.551 1.933 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 84.687 27.715 60.945 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 85.360 28.383 61.072 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 84.260 27.957 60.123 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 67.602 31.544 56.948 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 67.299 30.979 56.237 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 67.937 32.325 56.508 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 39.908 83.368 30.851 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 40.463 83.516 30.086 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 39.032 83.232 30.490 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 50.431 48.955 -10.354 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 50.712 49.295 -11.204 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 49.612 49.416 -10.170 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 32.947 90.618 30.337 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 33.486 89.885 30.044 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 32.280 90.713 29.657 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 21.916 80.268 65.382 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 22.661 80.314 65.981 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 21.508 81.132 65.439 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 61.347 30.226 28.615 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 62.112 29.935 28.119 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 61.150 31.095 28.265 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 76.081 32.710 18.895 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 76.611 32.045 18.455 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 75.878 32.329 19.749 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 30.803 53.123 14.384 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 31.512 52.525 14.621 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 31.051 53.459 13.523 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 67.811 38.896 2.135 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 67.765 38.464 2.988 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 68.704 38.732 1.831 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 42.923 12.963 24.318 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 42.604 13.232 23.456 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 43.836 13.250 24.337 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 65.030 46.201 40.213 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 65.149 47.026 39.742 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 64.597 45.625 39.584 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 72.155 52.795 41.194 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 71.441 53.425 41.295 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 72.113 52.531 40.275 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 39.961 62.489 39.827 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 40.748 62.864 39.430 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 39.315 63.194 39.789 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 85.802 60.733 28.361 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 86.561 60.156 28.278 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 85.208 60.449 27.666 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 32.902 10.085 31.332 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 32.460 10.178 30.488 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 33.789 10.408 31.176 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 51.259 41.587 39.702 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 52.031 42.131 39.860 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 50.701 42.121 39.136 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 26.920 56.230 60.814 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 26.185 55.620 60.874 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 26.785 56.839 61.541 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 24.577 91.541 24.305 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 23.720 91.610 23.885 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 25.194 91.852 23.644 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 51.345 41.484 53.122 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 51.607 41.867 53.960 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 52.158 41.145 52.748 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 55.674 42.496 45.327 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 56.328 42.852 45.928 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 55.347 43.258 44.849 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 42.125 40.156 -16.965 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 41.298 40.466 -16.595 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 42.778 40.780 -16.648 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 38.879 34.223 -4.939 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 39.751 34.171 -4.547 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 38.298 33.836 -4.283 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 31.347 12.588 -14.342 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 31.017 11.808 -14.788 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 32.197 12.320 -13.990 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 31.878 41.772 63.597 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 31.321 42.070 64.316 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 32.409 41.073 63.978 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 74.280 53.078 60.793 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 73.326 53.144 60.813 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 74.453 52.157 60.597 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 43.243 36.107 50.178 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 43.320 36.696 50.929 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 43.920 36.404 49.570 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 48.606 34.672 21.174 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 48.639 33.900 21.739 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 49.348 35.207 21.456 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 85.822 45.033 9.848 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 85.657 45.591 10.608 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 86.148 45.633 9.176 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 46.510 84.185 -4.770 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 47.011 84.048 -3.966 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 47.170 84.386 -5.433 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 44.118 38.276 43.320 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 44.379 38.913 43.986 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 44.022 38.792 42.520 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 89.147 34.003 38.359 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 89.993 34.225 38.747 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 88.775 33.351 38.954 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 51.960 72.009 58.132 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 51.208 72.513 57.820 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 52.295 72.511 58.874 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 70.017 58.704 36.450 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 70.093 59.151 35.607 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 69.081 58.529 36.545 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 90.350 34.570 26.891 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 89.601 35.162 26.814 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 91.029 34.972 26.349 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 63.025 34.943 37.410 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 62.708 34.614 36.569 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 63.911 35.256 37.226 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 56.606 46.828 32.946 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 56.416 47.572 32.374 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 56.704 46.086 32.350 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 25.666 71.529 -11.790 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 26.120 71.222 -11.006 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 24.799 71.787 -11.480 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 49.418 85.133 28.366 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 49.255 85.088 27.424 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 49.275 84.240 28.678 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 54.346 75.330 33.128 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 54.697 74.555 33.566 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 53.533 75.028 32.722 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 81.194 39.605 -3.171 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 80.424 39.891 -2.679 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 81.938 39.941 -2.671 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 23.283 36.868 46.389 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 24.172 36.933 46.737 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 23.172 37.661 45.864 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 80.915 45.387 56.256 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 80.864 46.010 56.981 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 80.089 45.498 55.786 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 85.509 54.246 20.437 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 85.224 54.657 19.621 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 84.698 54.085 20.921 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 35.877 61.996 65.328 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 35.121 62.267 65.850 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 36.251 61.260 65.812 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 26.733 55.239 13.619 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 27.441 55.724 13.194 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 27.174 54.693 14.270 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 80.488 3.068 39.031 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 80.998 3.504 38.349 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 81.056 2.363 39.342 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 81.500 93.795 56.419 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 81.557 93.720 55.467 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 81.620 92.901 56.739 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 24.473 16.259 -18.706 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 24.533 15.326 -18.909 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 23.734 16.572 -19.228 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 85.184 45.141 30.173 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 85.425 44.215 30.222 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 84.271 45.167 30.460 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 35.698 60.170 61.430 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 36.340 59.634 60.964 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 35.179 60.579 60.737 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 28.875 41.510 22.725 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 29.265 42.078 23.389 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 28.242 42.067 22.273 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 26.410 54.399 21.615 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 26.986 54.869 21.011 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 26.353 53.515 21.253 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 24.378 3.236 3.670 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 23.705 2.567 3.795 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 24.092 3.723 2.898 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 37.250 45.430 8.536 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 36.400 45.011 8.672 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 37.847 44.706 8.347 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 77.994 46.562 58.881 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 77.846 46.157 58.026 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 77.716 45.899 59.513 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 58.570 11.127 52.613 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 58.484 11.268 51.670 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 59.149 10.369 52.691 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 28.987 17.932 29.663 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 29.061 18.352 30.520 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 28.427 17.171 29.817 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 56.019 41.275 -2.651 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 56.815 41.387 -2.131 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 55.920 42.103 -3.120 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 25.689 91.319 55.469 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 25.013 91.231 54.797 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 26.368 90.696 55.210 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 21.368 58.367 29.105 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 21.747 59.240 29.205 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 20.551 58.513 28.628 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 70.171 44.823 44.701 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 70.713 44.035 44.672 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 70.698 45.493 44.265 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 39.747 38.453 -9.263 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 39.035 38.302 -8.641 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 39.306 38.653 -10.089 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 59.763 65.637 -19.506 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 59.760 64.900 -18.896 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 59.107 66.240 -19.158 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 53.115 5.745 59.311 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 54.038 5.645 59.078 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 52.731 6.220 58.574 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 55.769 30.532 -19.490 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 55.007 31.004 -19.824 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 56.370 31.220 -19.202 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 33.392 11.718 26.756 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 32.851 10.929 26.734 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 33.085 12.240 26.015 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 73.606 64.071 -6.995 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 73.062 64.057 -6.207 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 72.987 63.953 -7.715 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 39.960 58.038 5.865 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 40.176 57.112 5.978 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 39.811 58.360 6.753 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 85.811 32.669 56.217 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 85.018 33.059 56.585 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 86.382 32.530 56.972 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 25.480 70.009 57.809 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 24.704 70.044 57.250 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 25.989 69.273 57.468 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 77.207 90.304 32.365 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 76.279 90.237 32.588 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 77.218 90.761 31.524 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 65.929 20.761 62.023 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 65.182 20.419 61.532 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 65.626 20.790 62.931 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 49.958 10.273 29.605 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 49.257 10.745 29.157 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 50.528 9.965 28.901 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 50.764 46.100 35.230 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 51.562 45.741 34.840 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 50.786 47.030 35.006 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 62.936 27.722 24.787 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 62.266 27.085 24.539 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 63.766 27.279 24.607 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 90.235 25.948 -3.145 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 91.066 26.039 -2.677 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 89.986 26.845 -3.367 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 27.024 68.560 -16.520 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 27.630 68.778 -17.229 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 27.361 69.037 -15.762 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 21.064 50.381 29.759 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 20.290 50.284 30.314 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 20.745 50.835 28.979 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 87.280 74.833 -14.947 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 88.099 74.712 -14.467 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 86.614 74.425 -14.392 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 21.095 61.642 47.896 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 20.503 60.924 47.671 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 21.173 62.151 47.089 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 28.666 65.700 14.000 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 28.288 66.139 14.763 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 29.610 65.716 14.157 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 57.596 78.432 -1.716 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 57.457 77.917 -0.922 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 56.970 78.076 -2.347 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 87.887 55.867 12.749 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 87.762 56.772 12.462 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 87.214 55.733 13.417 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 32.901 77.090 11.801 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 33.595 76.518 12.128 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 32.102 76.570 11.886 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 35.228 67.430 23.867 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 35.995 67.318 24.428 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 35.373 66.827 23.138 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 46.674 55.408 19.267 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 46.017 54.882 18.810 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 47.510 55.112 18.909 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 27.015 58.189 5.051 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 27.864 58.061 5.473 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 26.462 58.570 5.734 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 72.755 59.737 8.213 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 73.373 60.364 8.588 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 71.895 60.050 8.492 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 88.137 43.116 8.275 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 87.944 42.255 7.906 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 87.798 43.076 9.169 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 87.166 28.484 -8.231 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 86.276 28.387 -8.570 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 87.490 27.587 -8.149 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 67.077 58.636 35.553 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 67.273 57.846 36.057 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 66.362 59.055 36.032 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 46.678 63.556 10.150 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 45.820 63.982 10.147 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 47.285 64.243 10.425 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 29.507 21.397 33.234 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 29.614 22.025 32.519 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 28.569 21.405 33.422 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 46.986 36.705 60.471 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 46.589 36.866 61.327 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 47.787 37.230 60.475 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 41.646 10.106 60.398 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 40.855 10.537 60.722 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 42.254 10.134 61.137 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 62.006 56.270 -7.890 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 61.123 56.256 -7.519 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 62.534 56.723 -7.233 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 23.848 22.721 -9.018 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 23.954 22.989 -8.106 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 23.250 21.974 -8.982 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 43.546 48.259 12.464 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 44.041 48.273 13.283 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 43.118 49.115 12.428 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 30.580 21.659 -2.404 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 30.166 21.237 -3.157 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 29.980 21.494 -1.677 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 76.434 38.594 -18.117 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 76.790 38.244 -18.934 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 76.612 39.534 -18.161 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 65.677 16.610 16.077 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 64.872 17.023 15.764 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 65.442 15.690 16.200 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 32.577 78.753 37.524 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 32.068 79.513 37.240 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 33.173 78.579 36.796 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 85.737 8.143 -0.955 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 85.925 7.377 -0.413 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 85.939 8.891 -0.393 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 85.344 2.002 43.346 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 85.889 1.446 42.789 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 84.519 1.525 43.428 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 46.013 4.127 15.091 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 46.752 3.746 15.566 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 45.579 4.689 15.732 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 81.262 71.795 29.356 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 82.025 71.947 29.914 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 81.601 71.285 28.621 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 37.516 48.862 14.272 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 37.673 48.499 15.144 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 37.935 49.723 14.292 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 38.695 37.161 37.224 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 38.113 36.987 36.484 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 38.694 38.114 37.310 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 58.206 66.131 35.498 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 57.501 66.696 35.183 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 58.255 65.425 34.853 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 35.310 18.076 5.207 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 36.013 17.847 5.816 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 35.714 18.018 4.342 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 84.390 31.173 9.760 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 84.452 31.397 8.832 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 84.796 30.308 9.826 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 40.579 8.158 -16.774 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 40.502 7.953 -17.705 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 40.135 9.000 -16.675 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 78.065 86.500 20.037 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 77.302 85.951 19.860 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 77.745 87.169 20.642 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 42.607 22.098 2.137 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 42.746 21.445 2.822 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 43.348 22.698 2.224 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 83.440 57.297 6.210 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 83.064 56.417 6.189 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 83.388 57.558 7.129 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 70.659 28.159 -7.421 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 69.990 27.538 -7.711 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 70.246 28.636 -6.701 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 78.629 81.997 0.342 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 78.015 82.723 0.229 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 79.405 82.397 0.734 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 36.154 8.965 2.165 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 36.790 9.380 1.582 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 36.453 8.058 2.240 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 76.363 85.223 2.945 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 75.872 84.427 3.147 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 76.121 85.837 3.639 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 85.210 41.842 -12.163 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 84.672 41.264 -12.703 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 85.015 42.722 -12.485 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 40.878 34.166 65.610 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 40.292 33.669 66.181 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 40.303 34.535 64.939 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 61.060 94.409 34.527 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 60.778 93.602 34.095 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 60.344 94.623 35.126 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 47.041 7.361 9.725 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 47.115 8.277 9.994 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 46.395 6.986 10.323 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 65.073 33.527 57.692 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 64.854 34.055 58.460 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 65.764 34.021 57.251 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 51.233 48.071 38.107 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 51.716 48.513 37.409 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 51.540 48.487 38.913 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 26.457 4.991 1.970 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 26.561 5.307 2.867 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 25.511 4.991 1.824 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 50.535 32.596 48.680 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 51.069 33.376 48.834 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 51.158 31.935 48.377 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 64.240 34.930 59.806 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 63.357 34.560 59.788 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 64.108 35.870 59.682 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 81.047 24.914 -2.296 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 80.391 24.516 -2.868 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 81.689 24.220 -2.147 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 36.360 9.217 30.238 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 36.191 9.139 29.299 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 36.073 10.103 30.460 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 22.637 5.111 -1.098 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 23.257 4.389 -1.204 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 22.937 5.778 -1.715 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 88.879 48.820 61.640 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 89.602 48.326 61.252 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 88.390 48.172 62.147 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 65.798 61.082 54.234 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 65.142 61.770 54.126 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 65.988 60.789 53.343 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 42.137 23.679 55.878 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 42.133 24.507 55.397 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 42.431 23.031 55.237 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 58.924 2.785 23.539 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 59.127 2.542 22.635 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 59.626 2.389 24.056 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 37.630 67.630 39.357 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 37.382 67.298 38.494 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 38.421 68.145 39.197 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 86.935 63.327 -10.336 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 87.453 63.033 -11.085 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 87.541 63.293 -9.596 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 52.997 58.908 53.900 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 53.235 59.822 53.745 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 53.240 58.456 53.092 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 51.844 31.885 40.041 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 51.446 31.427 39.300 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 52.666 32.232 39.695 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 65.460 75.426 41.040 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 65.658 74.547 41.362 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 65.589 75.370 40.093 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 82.717 49.724 -15.314 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 81.980 49.839 -15.914 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 82.335 49.825 -14.442 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 62.096 39.191 61.726 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 61.900 40.123 61.624 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 61.428 38.870 62.331 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 44.907 34.417 59.877 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 44.333 35.163 59.703 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 45.775 34.805 59.993 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 64.367 31.934 6.404 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 63.911 31.098 6.502 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 63.675 32.593 6.459 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 42.995 72.376 51.562 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 43.101 72.932 50.790 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 43.086 71.484 51.229 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 89.176 39.820 24.161 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 89.024 40.682 23.774 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 89.906 39.457 23.660 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 89.832 86.081 -0.753 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 90.643 86.460 -1.090 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 89.371 86.817 -0.352 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 74.011 14.501 49.774 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 73.796 15.329 49.344 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 73.431 13.860 49.363 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 72.527 47.276 23.677 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 72.021 46.674 23.132 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 71.975 47.426 24.445 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 50.910 6.466 -9.244 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 51.234 7.324 -8.969 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 51.299 6.328 -10.108 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 62.208 41.613 43.558 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 62.000 42.541 43.455 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 62.282 41.283 42.662 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 24.152 33.472 54.646 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 24.976 33.957 54.681 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 23.513 34.107 54.321 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 58.886 3.464 50.668 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 58.386 2.947 50.036 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 58.224 3.838 51.248 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 33.619 78.070 14.493 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 33.611 79.022 14.597 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 33.206 77.919 13.643 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 83.358 92.872 50.150 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 82.753 93.197 50.817 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 83.909 92.240 50.614 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 80.775 28.842 49.914 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 81.725 28.954 49.872 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 80.535 28.509 49.049 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 56.581 78.993 28.458 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 56.320 79.880 28.707 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 55.767 78.572 28.182 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 74.413 1.796 49.195 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 73.764 1.092 49.235 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 75.216 1.365 48.903 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 30.150 26.293 -18.285 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 29.298 26.117 -18.685 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 30.283 27.233 -18.409 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 64.723 26.919 -14.367 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 64.356 26.084 -14.657 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 63.974 27.515 -14.344 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 63.044 47.253 -1.863 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 62.814 47.042 -0.958 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 62.787 48.168 -1.969 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 53.461 3.803 -3.147 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 53.558 4.193 -4.015 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 52.652 4.183 -2.802 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 72.554 47.235 -2.256 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 71.958 47.835 -1.808 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 73.399 47.684 -2.244 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 64.176 65.093 59.702 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 63.973 64.324 59.170 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 64.812 65.584 59.183 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 70.219 72.361 -3.174 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 69.988 71.432 -3.141 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 69.642 72.728 -3.843 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 22.121 33.352 9.542 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 22.170 33.794 10.390 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 22.733 33.833 8.985 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 26.594 2.726 29.590 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 26.016 2.212 29.026 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 27.440 2.280 29.537 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 51.230 93.643 38.574 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 51.384 93.949 37.680 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 50.781 92.805 38.466 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 87.406 13.835 62.937 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 88.233 13.404 62.722 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 87.190 13.516 63.814 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 78.061 76.573 57.913 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 78.649 76.744 58.649 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 77.196 76.487 58.312 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 86.341 95.305 57.376 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 85.389 95.214 57.387 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 86.596 95.271 58.298 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 57.231 18.714 5.197 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 58.095 18.469 5.526 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 57.386 19.505 4.681 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 44.716 74.315 2.093 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 43.826 73.963 2.078 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 45.222 73.713 1.548 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 84.865 18.413 3.412 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 85.348 19.177 3.099 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 83.946 18.680 3.378 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 34.315 86.665 9.676 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 33.387 86.504 9.847 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 34.474 86.266 8.820 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 84.580 94.566 -13.227 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 84.811 95.106 -12.471 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 83.975 93.911 -12.879 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 43.557 29.311 31.865 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 44.335 29.193 31.321 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 43.778 28.891 32.696 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 56.733 70.469 30.787 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 56.193 70.376 31.571 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 56.496 69.719 30.241 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 29.633 60.855 7.011 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 29.624 59.950 6.699 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 30.506 60.971 7.386 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 32.001 90.152 65.617 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 32.229 91.003 65.993 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 32.844 89.744 65.421 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 67.102 0.881 58.353 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 68.053 0.811 58.443 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 66.974 1.501 57.635 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 48.683 19.139 16.471 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 48.784 20.039 16.782 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 48.723 19.208 15.518 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 25.242 79.287 16.912 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 26.045 79.033 16.457 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 24.827 78.457 17.147 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 29.579 5.228 33.982 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 29.724 4.518 33.357 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 29.848 6.018 33.515 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 40.308 75.162 13.238 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 39.773 75.511 13.951 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 40.985 74.646 13.675 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 60.347 78.938 43.344 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 60.332 78.279 42.650 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 59.867 79.682 42.979 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 84.162 72.827 10.101 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 84.612 72.120 10.564 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 84.664 72.943 9.294 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 71.740 37.724 11.197 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 71.870 38.513 10.670 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 71.104 37.984 11.864 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 23.603 11.957 6.484 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 23.257 12.258 7.323 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 24.534 12.178 6.515 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 69.510 41.668 -0.909 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 68.687 41.180 -0.880 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 69.818 41.674 -0.003 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 37.322 77.512 30.549 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 38.021 77.313 31.171 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 37.645 77.181 29.711 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 20.450 80.525 -12.128 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 21.096 80.064 -12.663 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 20.605 80.208 -11.239 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 43.493 26.462 -16.606 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 42.578 26.197 -16.697 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 43.469 27.212 -16.013 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 79.932 20.286 46.510 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 79.686 19.763 45.747 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 80.700 19.841 46.869 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 23.772 49.915 33.860 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 24.652 49.983 33.489 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 23.187 50.086 33.122 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 81.743 31.929 19.865 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 81.963 32.123 20.776 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 82.200 32.602 19.360 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 26.449 5.252 58.080 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 26.946 6.063 58.184 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 27.116 4.570 58.002 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 25.197 76.797 50.576 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 25.012 76.355 49.747 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 24.526 76.473 51.176 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 44.523 79.905 5.815 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 44.737 79.001 5.582 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 44.846 80.425 5.080 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 55.217 94.129 24.608 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 55.928 93.766 25.137 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 54.738 94.699 25.210 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 36.398 94.435 -16.311 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 36.714 95.109 -15.708 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 37.040 94.428 -17.021 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 75.873 30.999 23.961 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 76.784 30.849 24.212 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 75.579 31.708 24.533 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 49.943 56.930 -0.202 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 49.632 57.607 0.400 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 50.555 56.409 0.318 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 51.939 47.286 66.081 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 51.532 46.558 65.611 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 51.347 48.025 65.940 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 26.685 76.915 -1.605 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 26.688 76.460 -2.447 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 27.593 76.877 -1.307 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 73.368 41.255 62.627 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 72.807 40.483 62.557 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 73.404 41.443 63.565 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 28.732 59.268 54.833 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 28.338 59.949 55.377 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 29.405 59.723 54.327 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 54.594 0.696 44.053 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 54.333 0.740 43.133 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 55.502 1.000 44.059 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 27.145 18.713 -2.079 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 26.681 18.751 -1.243 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 28.072 18.730 -1.840 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 35.852 92.127 47.013 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 35.950 93.047 46.771 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 35.602 92.147 47.937 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 26.655 33.685 -10.004 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 27.244 34.312 -10.423 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 25.892 34.205 -9.751 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 43.627 4.820 -0.448 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 42.762 4.920 -0.051 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 43.789 3.876 -0.436 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 67.448 21.254 12.492 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 67.144 21.241 13.399 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 67.170 22.107 12.158 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 77.042 25.714 -0.546 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 77.685 25.856 0.150 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 77.568 25.547 -1.328 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 21.069 40.353 44.690 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 20.809 41.177 44.278 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 20.443 39.710 44.356 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 27.099 20.947 34.352 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 26.835 21.168 35.245 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 27.159 19.991 34.350 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 34.376 22.186 25.947 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 34.546 22.684 26.746 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 33.512 22.480 25.659 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 30.662 36.951 47.539 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 31.037 36.821 46.667 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 31.420 37.081 48.109 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 82.369 94.852 12.475 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 82.856 94.490 11.734 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 82.101 94.086 12.982 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 36.534 55.953 36.205 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 36.486 56.156 37.139 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 37.374 56.316 35.924 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 53.524 79.607 15.934 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 53.835 80.315 15.371 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 54.321 79.230 16.308 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 83.592 77.932 7.642 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 83.601 78.635 6.993 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 84.407 77.453 7.488 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 28.329 35.003 -6.709 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 27.609 35.303 -7.264 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 28.530 34.124 -7.031 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 65.573 40.826 46.031 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 65.820 41.109 45.151 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 64.721 40.406 45.918 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 79.485 35.957 16.573 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 79.005 35.484 15.893 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 79.864 35.269 17.120 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 57.081 13.210 30.256 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 57.743 13.598 29.684 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 56.941 13.866 30.939 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 41.266 5.753 9.818 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 40.400 6.122 9.648 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 41.743 6.455 10.261 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 26.210 85.917 16.933 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 26.378 85.017 16.653 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 26.766 86.037 17.702 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 25.617 63.855 35.744 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 24.896 64.229 35.238 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 26.306 63.696 35.099 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 32.823 22.393 54.117 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 33.482 23.064 54.296 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 33.018 22.097 53.227 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 64.676 38.348 49.031 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 65.247 37.774 48.520 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 64.677 37.967 49.909 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 31.675 42.537 13.820 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 32.132 42.985 13.108 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 32.073 42.886 14.617 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 30.728 87.719 41.684 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 30.723 87.216 40.870 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 31.551 88.207 41.661 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 66.451 19.917 1.885 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 66.287 19.887 2.828 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 67.083 20.627 1.774 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 55.244 27.496 51.509 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 54.388 27.641 51.912 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 55.572 28.375 51.319 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 36.535 38.203 64.558 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 35.986 37.431 64.699 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 37.346 37.855 64.186 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 26.001 93.118 -7.185 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 25.358 92.415 -7.093 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 25.867 93.668 -6.414 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 73.065 30.118 33.267 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 73.434 30.055 32.386 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 72.206 30.522 33.139 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 37.228 5.857 10.030 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 36.572 5.978 10.716 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 37.955 5.415 10.468 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 62.737 25.607 42.699 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 62.177 26.166 42.161 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 63.143 25.004 42.077 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 66.568 14.077 3.327 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 65.946 14.718 2.982 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 66.507 14.170 4.278 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 64.778 5.607 48.752 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 65.358 4.932 49.102 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 63.936 5.446 49.179 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 39.110 91.672 57.811 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 39.429 91.533 56.920 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 39.583 91.027 58.338 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 45.861 68.028 62.929 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 46.780 68.202 63.133 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 45.890 67.424 62.187 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 36.348 23.052 63.464 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 36.457 22.688 62.586 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 36.682 22.371 64.049 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 84.275 66.256 49.939 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 84.092 67.146 49.639 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 83.631 65.713 49.484 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 35.362 76.403 33.583 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 36.253 76.078 33.714 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 35.210 76.313 32.643 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 71.819 30.440 51.298 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 71.226 30.680 52.011 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 72.634 30.900 51.499 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 50.369 14.511 54.134 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 50.149 13.663 53.749 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 50.883 14.954 53.460 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 41.939 30.835 59.872 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 41.021 30.580 59.776 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 42.317 30.700 59.002 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 89.299 7.811 61.370 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 90.244 7.716 61.494 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 89.201 8.634 60.893 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 46.783 11.424 17.645 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 47.664 11.082 17.794 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 46.902 12.126 17.006 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 41.807 61.550 -17.232 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 42.619 61.123 -17.504 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 42.029 61.986 -16.410 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 59.259 44.394 32.406 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 60.140 44.142 32.131 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 59.305 45.343 32.523 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 54.889 3.239 58.628 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 55.392 3.471 57.847 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 55.404 3.586 59.357 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 37.163 38.702 6.034 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 37.965 38.241 5.788 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 36.873 38.270 6.837 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 37.205 38.300 18.724 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 38.149 38.321 18.882 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 37.069 38.908 17.997 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 39.111 51.025 14.786 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 38.781 51.657 15.425 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 40.041 50.937 14.993 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 30.079 66.427 64.283 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 30.937 66.390 63.861 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 30.145 65.813 65.015 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 39.197 29.337 44.124 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 38.798 29.006 43.319 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 39.353 30.266 43.950 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 44.809 20.869 -2.202 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 44.508 20.418 -2.990 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 45.758 20.741 -2.200 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 69.342 4.100 17.990 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 68.800 4.817 18.321 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 69.632 4.397 17.127 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 66.066 32.889 16.031 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 65.144 32.735 15.823 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 66.172 32.544 16.918 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 31.355 16.659 24.187 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 31.230 17.412 24.764 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 31.994 16.957 23.539 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 88.283 30.423 47.799 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 88.947 29.793 48.077 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 88.764 31.243 47.682 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 33.705 32.051 14.297 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 34.142 32.647 13.688 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 33.044 32.591 14.730 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 47.503 11.672 -12.723 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 47.332 10.865 -12.236 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 47.995 12.221 -12.113 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 78.490 45.510 42.299 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 77.686 45.979 42.078 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 78.821 45.955 43.079 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 61.051 44.538 53.099 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 61.071 43.794 52.498 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 60.162 44.536 53.454 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 60.780 54.872 37.249 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 60.170 54.396 36.686 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 60.990 55.667 36.758 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 27.474 7.961 -18.662 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 27.692 7.562 -17.820 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 27.170 7.231 -19.202 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 48.072 21.693 5.301 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 48.092 22.578 5.666 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 48.938 21.334 5.495 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 88.447 29.696 67.232 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 88.343 30.645 67.169 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 87.725 29.340 66.714 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 65.317 93.835 61.765 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 65.419 93.663 60.829 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 65.416 92.978 62.179 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 22.496 93.717 0.879 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 21.795 93.123 0.610 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 22.143 94.174 1.642 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 28.532 47.553 51.839 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 28.586 47.009 51.053 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 27.595 47.706 51.960 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 35.957 89.779 13.711 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 35.481 89.692 14.537 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 36.771 89.294 13.850 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 64.077 81.060 -9.377 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 65.026 81.063 -9.499 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 63.952 81.309 -8.461 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 21.793 94.111 -17.251 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 22.735 94.174 -17.409 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 21.514 95.014 -17.101 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 26.416 32.760 -2.099 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 26.024 33.404 -2.689 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 25.876 32.800 -1.309 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 76.827 72.256 38.904 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 77.769 72.156 38.770 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 76.431 71.868 38.124 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 52.488 38.957 40.760 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 52.447 38.284 40.080 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 52.049 39.715 40.374 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 22.899 41.673 0.332 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 22.828 42.561 0.682 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 23.128 41.134 1.089 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 33.114 36.658 10.459 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 32.699 36.273 11.231 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 33.481 37.485 10.771 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 34.314 78.990 21.927 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 33.655 79.682 21.869 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 33.806 78.182 22.003 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 34.932 9.550 27.800 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 34.291 8.956 27.408 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 34.692 10.415 27.468 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 23.383 15.176 54.342 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 22.770 15.681 54.876 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 23.908 14.689 54.977 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 75.582 39.596 58.680 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 74.835 39.117 58.322 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 76.340 39.242 58.216 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 66.469 32.119 18.466 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 66.358 31.278 18.909 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 65.935 32.730 18.974 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 82.521 29.136 64.094 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 82.248 29.149 63.176 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 82.844 30.021 64.262 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 72.735 26.642 11.388 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 72.821 25.993 12.087 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 73.275 26.300 10.676 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 74.250 26.238 54.710 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 74.764 25.657 54.149 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 73.661 26.694 54.108 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 58.107 45.606 -1.422 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 57.258 45.165 -1.410 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 57.904 46.523 -1.238 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 45.409 46.203 -1.182 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 46.185 45.718 -0.903 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 45.171 46.734 -0.422 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 80.502 57.567 49.167 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 80.258 57.793 50.065 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 81.382 57.199 49.244 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 49.034 12.382 57.121 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 48.288 11.808 56.949 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 49.531 11.932 57.804 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 84.962 13.909 4.554 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 85.918 13.865 4.548 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 84.763 14.783 4.890 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 56.438 65.307 41.328 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 56.101 64.882 42.116 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 56.280 64.674 40.627 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 61.403 71.140 28.192 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 61.601 71.014 27.264 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 60.589 70.657 28.333 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 28.218 45.867 65.775 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 29.044 45.677 66.220 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 28.277 45.391 64.947 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 70.844 40.487 22.855 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 70.415 40.716 22.031 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 70.561 41.165 23.469 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 34.618 6.342 -3.234 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 34.574 7.114 -2.669 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 34.505 5.602 -2.638 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 76.324 36.549 15.461 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 77.013 36.884 14.887 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 76.726 35.807 15.911 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 39.052 65.274 41.713 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 39.930 65.138 41.355 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 39.161 65.980 42.351 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 75.626 36.350 60.086 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 75.671 36.138 59.154 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 75.763 35.513 60.530 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 34.396 79.430 -12.514 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 34.366 79.584 -11.570 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 34.730 80.249 -12.881 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 62.795 39.816 65.322 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 62.212 39.057 65.352 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 63.621 39.499 65.687 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 40.192 26.501 -2.819 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 41.128 26.603 -2.994 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 40.070 25.558 -2.711 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 75.937 77.129 18.838 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 75.339 76.494 19.233 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 75.784 77.050 17.897 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 71.269 45.830 21.501 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 70.827 46.064 20.685 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 71.018 44.919 21.657 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 41.793 80.004 12.279 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 42.731 80.032 12.091 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 41.632 79.104 12.563 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 84.287 68.119 0.617 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 83.733 67.416 0.279 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 83.738 68.570 1.259 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 25.781 9.692 50.886 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 24.976 9.515 50.399 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 25.679 9.204 51.703 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 77.928 46.716 48.791 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 77.368 47.492 48.836 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 77.361 45.995 49.065 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 86.455 27.742 20.566 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 85.941 28.400 20.099 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 85.862 27.406 21.238 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 62.688 20.625 6.161 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 61.772 20.795 5.941 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 63.086 20.348 5.336 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 39.587 60.104 -19.149 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 40.145 60.881 -19.187 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 40.198 59.373 -19.065 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 42.679 72.579 64.057 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 43.117 71.740 63.916 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 43.047 73.157 63.387 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 61.170 20.555 42.433 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 61.867 20.220 41.869 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 61.292 21.505 42.426 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 39.866 77.030 -11.400 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 39.277 77.403 -12.055 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 39.919 76.101 -11.627 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 80.668 48.262 51.813 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 80.889 48.598 52.682 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 80.611 49.043 51.262 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 41.516 73.066 28.556 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 41.720 73.994 28.677 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 42.179 72.753 27.941 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 89.692 8.479 46.881 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 89.490 9.266 46.375 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 90.466 8.111 46.455 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 65.563 93.457 13.523 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 66.242 93.623 12.869 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 65.609 92.514 13.683 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 36.843 42.784 34.853 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 37.620 42.313 35.153 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 37.189 43.523 34.352 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 50.841 64.180 -14.369 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 50.952 64.148 -15.319 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 49.949 64.504 -14.241 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 33.385 28.318 -11.880 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 33.458 27.366 -11.950 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 32.466 28.472 -11.662 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 36.739 56.933 5.018 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 36.893 57.863 5.183 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 37.162 56.486 5.750 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 48.555 25.409 -7.041 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 49.179 26.126 -7.157 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 49.016 24.778 -6.487 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 25.011 31.975 26.424 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 25.871 31.560 26.356 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 24.959 32.546 25.657 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 53.909 73.630 26.834 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 54.081 74.048 25.991 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 53.012 73.305 26.762 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 67.615 48.733 -14.203 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 67.074 48.948 -13.443 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 68.427 48.390 -13.830 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 34.241 10.698 41.015 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 34.879 11.303 40.636 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 34.064 10.067 40.318 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 30.014 79.195 1.182 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 30.192 79.931 0.595 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 29.614 78.532 0.621 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 43.533 44.205 37.346 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 44.293 44.005 37.892 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 43.356 45.131 37.511 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 35.872 1.168 -15.302 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 36.348 0.732 -14.595 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 36.527 1.302 -15.987 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 20.945 6.413 -6.234 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 20.791 5.674 -6.821 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 20.346 7.093 -6.541 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 85.889 20.477 62.989 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 86.746 20.103 63.192 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 85.596 20.866 63.813 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 43.678 50.259 25.710 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 44.292 50.283 24.975 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 43.975 49.524 26.246 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 56.275 54.821 19.692 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 55.829 54.799 20.539 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 55.897 54.090 19.203 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 83.794 24.386 31.641 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 84.508 24.659 32.217 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 84.184 24.366 30.767 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 35.388 78.431 43.869 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 35.026 78.437 42.983 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 36.031 77.722 43.860 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 34.602 8.893 58.365 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 33.906 9.471 58.678 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 34.509 8.099 58.891 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 72.177 43.957 25.301 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 72.965 43.570 24.919 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 71.457 43.439 24.942 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 68.965 0.988 39.335 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 69.447 1.799 39.172 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 69.373 0.345 38.756 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 27.957 42.392 58.515 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 27.766 41.855 57.746 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 28.738 41.993 58.898 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 25.423 34.944 -7.338 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 25.104 35.414 -8.109 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 25.450 34.027 -7.611 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 46.801 41.150 38.872 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 46.833 40.586 38.099 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 46.675 42.032 38.521 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 47.312 40.024 -5.926 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 48.111 40.090 -5.402 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 47.510 39.353 -6.580 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 26.512 68.372 -12.825 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 27.460 68.373 -12.959 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 26.375 68.954 -12.077 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 74.511 34.338 -9.166 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 75.126 34.003 -8.513 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 73.682 33.909 -8.957 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 44.123 6.105 34.295 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 44.895 5.977 33.744 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 44.472 6.426 35.126 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 24.391 23.404 1.111 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 24.308 24.348 1.243 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 24.477 23.301 0.163 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 40.657 15.549 26.016 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 40.401 15.276 25.135 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 40.696 14.734 26.517 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 40.162 73.798 -9.736 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 40.720 73.710 -8.963 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 39.339 74.153 -9.398 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 40.254 36.955 33.360 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 40.024 37.720 33.887 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 40.763 37.309 32.630 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 64.803 24.706 64.649 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 65.700 24.719 64.981 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 64.869 25.071 63.766 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 57.563 46.550 17.862 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 57.226 46.534 18.757 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 57.651 47.481 17.655 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 83.895 22.777 -8.217 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 82.969 22.536 -8.180 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 84.331 22.000 -8.568 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 31.971 51.034 42.504 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 32.894 51.151 42.730 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 31.515 51.719 42.994 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 41.336 19.334 10.956 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 42.090 19.458 10.378 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 41.429 18.439 11.283 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 81.707 62.350 9.762 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 82.030 61.808 9.042 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 81.182 61.753 10.295 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 33.599 30.537 62.237 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 33.499 31.488 62.283 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 33.418 30.320 61.322 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 67.825 1.621 52.289 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 67.491 0.735 52.142 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 68.586 1.689 51.713 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 82.756 31.683 -7.328 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 83.689 31.606 -7.528 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 82.711 32.357 -6.650 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 34.474 56.954 42.972 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 35.101 57.151 43.668 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 34.794 56.139 42.585 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 39.499 45.997 -5.227 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 39.850 45.616 -6.032 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 40.273 46.236 -4.718 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 56.812 62.752 45.078 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 56.106 62.892 44.448 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 56.892 61.801 45.142 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 81.829 60.867 -8.280 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 82.070 60.763 -7.360 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 81.428 61.735 -8.326 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 38.585 58.133 3.288 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 39.322 57.715 2.844 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 38.631 57.807 4.187 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 32.585 66.489 63.165 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 32.933 65.912 63.844 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 32.998 66.186 62.357 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 81.948 48.725 17.948 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 81.552 48.234 17.228 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 82.626 48.143 18.292 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 68.671 51.943 37.686 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 67.837 52.130 38.117 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 68.568 52.291 36.801 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 68.978 41.358 43.783 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 69.790 41.767 44.082 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 68.702 41.888 43.036 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 88.214 33.944 -17.825 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 88.341 34.565 -17.108 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 88.999 34.036 -18.364 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 56.729 84.751 56.051 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 57.535 85.171 56.352 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 56.556 85.147 55.197 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 33.646 56.030 5.433 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 34.083 55.266 5.808 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 34.283 56.394 4.819 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 83.744 43.145 0.691 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 83.032 42.572 0.974 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 83.678 43.910 1.263 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 76.528 75.271 13.907 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 76.520 74.722 13.123 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 76.974 76.073 13.635 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 77.444 33.818 33.775 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 77.964 34.621 33.778 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 77.868 33.256 34.424 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 23.847 42.506 62.436 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 23.444 43.354 62.254 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 24.713 42.721 62.782 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 47.174 46.481 37.106 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 47.617 45.931 36.460 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 47.859 47.063 37.435 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 43.145 88.211 54.423 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 44.005 88.008 54.057 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 43.335 88.681 55.235 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 63.194 58.279 1.410 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 62.780 58.489 0.573 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 63.020 59.041 1.962 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 47.904 45.138 47.744 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 48.855 45.055 47.822 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 47.776 45.860 47.130 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 22.619 90.714 -0.407 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 22.628 89.767 -0.543 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 22.805 90.824 0.526 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 49.921 94.637 -14.302 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 49.506 95.075 -15.045 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 50.656 94.159 -14.685 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 80.573 22.825 44.504 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 79.927 23.509 44.329 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 80.628 22.783 45.458 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 66.877 35.428 64.493 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 66.387 34.658 64.207 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 67.175 35.208 65.376 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 88.832 61.382 63.939 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 88.020 61.767 63.610 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 88.647 61.182 64.857 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 32.607 12.002 3.416 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 31.721 12.120 3.759 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 33.161 12.522 3.999 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 64.839 82.005 62.989 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 64.932 81.386 62.265 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 63.895 82.151 63.060 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 55.959 11.329 26.032 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 56.122 11.195 26.965 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 55.172 10.816 25.849 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 33.324 1.319 -14.450 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 32.923 0.801 -15.148 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 34.246 1.060 -14.459 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 83.026 52.789 -9.684 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 82.618 53.108 -10.488 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 82.791 51.862 -9.647 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 79.184 82.720 53.229 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 78.784 82.922 52.383 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 80.059 82.401 53.011 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 74.416 70.068 47.888 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 74.287 70.914 47.459 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 75.024 70.253 48.604 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 26.955 61.802 7.263 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 26.998 62.616 7.765 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 27.856 61.480 7.250 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 74.068 90.578 47.017 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 73.185 90.605 46.649 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 74.448 91.428 46.792 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 57.437 27.131 35.509 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 58.372 27.325 35.438 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 57.009 27.830 35.015 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 39.890 42.043 19.675 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 40.509 42.736 19.443 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 40.434 41.353 20.056 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 46.822 96.792 -0.226 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 47.602 96.309 -0.497 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 46.431 96.252 0.461 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 29.026 46.137 40.999 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 29.829 46.647 41.109 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 28.641 46.106 41.875 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 20.625 24.842 15.613 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 20.744 24.084 16.185 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 20.032 24.535 14.927 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 51.461 6.770 23.505 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 50.715 6.588 24.077 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 51.757 7.642 23.767 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 86.075 13.048 -5.461 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 85.779 13.472 -4.656 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 85.528 13.428 -6.149 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 31.001 2.730 66.375 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 31.494 2.204 65.745 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 31.648 3.331 66.744 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 34.263 47.401 20.853 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 34.691 47.952 20.198 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 34.753 46.579 20.832 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 75.154 42.890 59.328 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 75.862 42.974 58.688 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 74.355 43.036 58.821 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 89.015 1.559 -0.121 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 89.884 1.580 0.282 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 88.442 1.211 0.562 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 56.052 20.241 -6.018 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 55.808 19.361 -6.304 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 56.997 20.192 -5.872 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 49.353 70.094 63.164 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 50.111 70.501 63.584 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 49.500 70.223 62.227 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 38.769 91.848 12.851 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 39.624 92.171 12.565 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 38.724 90.955 12.508 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 44.097 42.191 4.735 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 43.415 42.412 5.369 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 44.570 41.461 5.136 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 62.144 82.337 62.438 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 61.703 83.185 62.389 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 62.253 82.070 61.525 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 78.303 87.092 60.994 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 79.175 86.976 60.618 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 78.025 86.208 61.233 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 37.017 71.659 55.225 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 36.444 72.410 55.380 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 37.193 71.683 54.284 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 27.882 61.782 41.435 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 28.116 62.709 41.470 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 28.679 61.322 41.699 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 67.791 35.344 42.061 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 67.938 35.028 42.952 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 68.660 35.602 41.751 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 58.224 95.333 31.713 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 58.383 94.415 31.932 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 57.321 95.492 31.987 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 67.644 13.073 44.607 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 68.311 12.522 44.197 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 68.097 13.494 45.338 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 43.456 53.138 64.099 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 42.569 53.476 63.975 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 44.018 53.910 64.027 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 58.839 58.448 15.971 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 59.105 57.794 15.324 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 57.887 58.496 15.885 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 82.468 32.877 29.042 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 83.155 33.439 28.684 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 81.742 32.961 28.424 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 45.227 55.330 63.249 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 44.710 55.409 62.448 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 45.289 56.224 63.584 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 21.154 30.495 65.472 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 21.856 30.909 65.974 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 20.465 31.159 65.431 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 56.890 69.406 21.483 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 57.310 68.557 21.341 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 57.304 69.749 22.276 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 30.964 40.035 5.452 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 31.434 39.539 4.781 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 30.548 40.752 4.973 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 29.042 87.214 23.582 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 29.707 87.657 24.109 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 28.633 86.593 24.185 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 66.253 44.616 51.271 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 65.391 44.336 50.965 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 66.073 45.344 51.865 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 83.008 82.046 -6.807 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 82.073 81.972 -7.000 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 83.046 82.542 -5.989 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 39.089 93.665 62.557 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 38.694 92.798 62.470 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 39.368 93.892 61.670 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 28.741 74.606 14.743 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 28.243 74.216 15.461 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 29.656 74.432 14.963 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 70.529 43.011 -5.152 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 70.698 43.691 -4.500 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 70.111 43.473 -5.878 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 88.880 59.097 53.051 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 88.041 58.887 52.640 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 88.755 59.973 53.417 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 61.041 28.894 39.501 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 60.474 29.643 39.314 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 60.652 28.170 39.010 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 87.173 78.826 20.217 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 87.388 78.328 21.006 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 86.376 78.415 19.883 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 55.517 90.632 18.516 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 54.791 91.214 18.741 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 55.094 89.817 18.244 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 80.114 77.894 13.017 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 80.542 77.651 13.839 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 80.290 78.830 12.922 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 79.616 40.379 -11.269 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 79.257 40.608 -12.125 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 80.480 40.792 -11.252 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 34.228 65.744 56.435 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 33.733 65.625 57.246 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 33.566 65.965 55.780 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 50.960 82.610 40.871 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 51.284 82.614 39.970 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 50.179 82.059 40.843 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 38.769 14.242 24.187 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 39.474 13.669 23.884 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 38.329 14.525 23.385 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 43.172 12.053 7.860 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 43.650 12.669 8.415 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 42.558 12.599 7.369 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 66.343 58.555 1.956 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 66.756 59.225 2.502 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 66.076 57.874 2.574 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 76.323 65.544 -4.021 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 75.462 65.955 -4.103 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 76.914 66.267 -3.811 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 52.093 67.112 -8.433 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 52.962 66.810 -8.167 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 51.486 66.581 -7.919 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 85.370 57.373 -11.691 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 86.143 57.030 -12.139 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 85.368 56.930 -10.843 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 36.847 72.541 34.983 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 37.629 72.930 34.589 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 37.179 72.027 35.719 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 75.493 50.744 4.798 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 74.598 50.409 4.734 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 75.387 51.679 4.972 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 37.239 25.673 23.962 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 37.246 25.728 23.007 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 36.814 24.837 24.151 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 22.061 65.505 1.496 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 21.490 65.237 0.776 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 22.617 66.188 1.120 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 63.757 59.647 -18.404 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 63.081 59.060 -18.066 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 64.184 59.146 -19.098 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 55.661 47.270 -1.574 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 55.557 46.647 -0.855 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 55.049 47.977 -1.371 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 45.665 5.654 7.163 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 45.105 5.416 7.902 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 46.101 4.837 6.920 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 87.470 46.446 35.750 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 86.622 46.889 35.740 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 87.575 46.147 36.653 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 52.337 37.871 53.078 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 52.506 37.886 52.136 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 51.383 37.901 53.151 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 80.631 58.047 0.608 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 79.707 58.267 0.487 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 80.694 57.770 1.522 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 59.659 38.457 -16.120 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 59.488 38.857 -15.267 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 58.822 38.070 -16.376 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 64.141 30.397 11.965 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 64.766 30.184 11.271 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 63.557 31.045 11.572 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 23.953 15.935 43.982 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 23.835 15.974 43.033 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 23.993 15.000 44.181 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 89.991 66.560 46.812 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 89.399 66.208 46.148 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 90.164 65.822 47.396 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 27.543 49.611 66.148 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 28.232 49.841 66.771 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 27.088 50.436 65.978 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 60.140 45.506 55.993 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 59.371 45.159 55.540 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 59.852 46.350 56.341 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 81.025 80.830 13.511 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 81.677 80.244 13.127 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 80.453 81.064 12.780 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 49.274 61.858 2.668 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 50.224 61.822 2.558 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 49.145 62.311 3.501 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 24.325 55.115 39.600 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 24.255 54.218 39.927 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 23.791 55.124 38.806 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 27.229 47.573 46.293 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 27.630 47.920 45.496 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 26.463 48.129 46.438 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 85.626 45.406 62.057 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 85.173 46.226 61.858 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 85.487 45.277 62.995 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 68.432 11.362 64.263 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 67.749 10.694 64.222 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 69.244 10.868 64.381 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 45.333 68.625 -3.728 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 45.802 68.118 -3.065 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 45.986 68.794 -4.407 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 35.318 2.472 17.284 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 34.452 2.555 17.682 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 35.858 3.114 17.747 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 90.233 54.625 47.562 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 90.205 54.157 46.727 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 90.530 53.970 48.194 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 27.434 7.628 58.479 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 28.310 7.968 58.663 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 26.895 8.409 58.356 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 42.086 54.358 38.935 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 42.590 55.150 38.745 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 41.690 54.119 38.097 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 62.314 45.358 45.943 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 62.410 46.290 46.137 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 63.168 45.095 45.599 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 87.329 80.186 0.351 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 86.847 79.796 1.080 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 88.189 79.768 0.381 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 78.307 69.503 50.251 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 78.834 68.713 50.133 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 77.907 69.655 49.394 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 35.383 89.074 57.624 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 34.501 89.372 57.402 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 35.924 89.358 56.888 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 34.955 0.632 34.265 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 35.276 -0.241 34.490 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 34.082 0.481 33.904 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 71.897 4.888 57.274 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 72.729 4.419 57.212 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 72.007 5.650 56.706 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 34.174 58.377 3.141 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 35.017 57.984 2.914 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 34.402 59.201 3.571 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 66.030 91.412 49.227 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 66.383 91.512 48.343 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 66.708 90.933 49.703 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 68.348 88.858 40.068 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 68.594 88.003 39.716 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 67.461 88.733 40.405 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 40.530 24.608 -19.162 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 39.619 24.881 -19.271 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 40.995 25.411 -18.926 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 51.172 50.707 0.789 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 51.068 51.289 1.542 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 51.798 50.045 1.083 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 60.511 82.694 7.176 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 60.513 81.771 7.429 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 60.069 82.710 6.327 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 64.435 94.136 40.993 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 64.876 94.337 40.168 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 64.795 93.289 41.258 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 36.701 5.526 41.641 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 37.561 5.908 41.812 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 36.150 6.271 41.402 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 51.817 83.211 34.245 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 51.430 83.156 33.371 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 51.982 82.301 34.492 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 80.239 24.581 -8.360 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 79.574 25.244 -8.545 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 81.011 25.082 -8.097 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 87.938 88.110 42.369 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 87.796 87.224 42.703 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 87.909 88.015 41.417 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 25.898 51.229 37.302 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 25.044 51.521 36.983 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 26.431 51.136 36.513 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 69.544 41.508 55.127 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 69.448 41.062 54.285 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 69.533 42.439 54.907 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 89.471 92.690 8.474 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 89.335 92.054 9.176 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 88.588 92.910 8.175 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 65.708 18.156 12.358 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 65.880 17.814 11.481 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 66.317 17.681 12.924 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 29.424 52.108 41.345 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 28.869 52.846 41.596 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 30.289 52.329 41.689 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 41.542 41.873 33.067 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 41.927 41.383 32.340 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 42.293 42.213 33.553 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 57.063 76.758 59.025 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 56.956 75.824 59.202 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 57.656 77.066 59.710 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 85.467 38.578 59.272 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 85.603 39.515 59.412 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 86.168 38.321 58.673 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 77.050 73.059 43.921 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 77.925 73.368 44.157 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 77.178 72.580 43.102 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 87.446 57.153 62.869 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 86.840 57.428 62.182 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 86.918 56.605 63.450 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 59.394 25.603 53.117 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 59.034 26.388 53.530 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 59.614 25.879 52.227 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 71.682 3.755 -9.081 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 71.361 3.020 -8.558 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 72.624 3.774 -8.915 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 81.209 38.702 32.029 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 81.634 37.982 31.563 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 80.940 38.322 32.865 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 85.892 46.181 -16.553 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 85.398 46.042 -17.361 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 86.376 45.365 -16.424 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 37.361 66.108 -9.370 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 38.301 66.018 -9.215 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 37.144 65.386 -9.959 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 63.147 60.486 50.166 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 63.576 59.707 49.812 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 62.217 60.261 50.182 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 67.291 88.869 12.276 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 67.074 88.316 11.526 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 68.177 88.602 12.522 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 21.499 94.374 37.148 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 20.654 93.933 37.062 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 21.713 94.659 36.260 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 69.796 82.097 -7.780 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 70.110 81.418 -7.183 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 68.843 82.077 -7.687 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 84.896 43.617 -8.385 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 84.821 43.807 -7.450 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 84.211 44.146 -8.793 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 85.821 26.422 -1.034 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 85.902 26.904 -1.857 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 86.700 26.444 -0.656 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 82.193 76.111 39.129 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 81.733 75.299 39.344 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 83.114 75.919 39.303 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 52.505 9.434 23.368 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 51.640 9.600 22.994 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 52.827 10.298 23.623 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 73.918 29.281 58.786 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 74.348 29.130 57.944 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 74.630 29.520 59.379 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 33.012 24.500 0.519 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 32.843 25.361 0.137 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 32.476 23.898 0.002 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 74.163 91.282 65.125 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 74.424 92.068 65.606 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 74.579 91.376 64.268 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 31.903 17.876 1.841 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 31.342 18.620 1.621 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 32.138 18.015 2.758 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 77.309 7.809 43.781 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 78.050 8.404 43.664 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 76.865 7.810 42.933 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 68.151 5.731 14.490 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 68.959 5.970 14.036 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 68.365 4.918 14.949 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 38.273 73.790 -16.834 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 37.895 74.011 -17.685 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 37.628 74.098 -16.197 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 20.158 12.756 -11.948 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 20.458 13.392 -11.298 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 20.835 12.766 -12.624 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 39.649 56.475 35.172 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 39.391 55.842 34.501 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 40.603 56.516 35.108 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 83.888 59.128 -13.301 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 83.009 59.094 -13.680 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 83.960 58.321 -12.791 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 41.916 95.682 33.894 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 41.518 96.508 34.168 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 42.827 95.747 34.181 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 54.769 78.663 44.043 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 54.281 79.486 44.080 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 54.220 78.083 43.515 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 52.505 49.875 46.927 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 53.414 50.075 46.704 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 52.031 49.960 46.099 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 54.892 45.502 -6.950 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 55.651 46.065 -6.803 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 54.322 46.012 -7.526 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 46.705 63.884 53.937 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 47.076 63.142 53.459 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 46.686 64.596 53.298 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 88.188 87.396 2.560 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 87.905 87.826 1.753 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 87.518 86.733 2.727 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 32.135 52.763 33.923 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 31.457 52.884 34.588 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 32.896 53.230 34.269 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 29.256 19.782 15.539 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 29.981 19.164 15.635 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 29.104 19.827 14.595 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 69.122 37.346 61.220 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 69.517 38.217 61.192 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 69.739 36.787 60.747 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 61.159 19.310 -2.619 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 61.680 19.730 -3.303 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 61.600 18.475 -2.460 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 62.293 78.810 67.143 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 62.536 79.549 66.586 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 62.733 78.057 66.749 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 57.851 72.573 56.545 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 57.098 72.085 56.211 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 57.996 72.220 57.423 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 47.729 33.759 -9.388 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 48.564 33.902 -8.942 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 47.334 33.019 -8.928 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 56.039 30.097 38.672 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 55.682 30.817 39.191 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 55.386 29.948 37.987 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 35.935 90.763 39.463 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 36.680 91.360 39.533 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 36.214 90.104 38.827 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 42.246 54.273 18.639 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 41.324 54.187 18.883 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 42.322 55.164 18.298 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 41.302 30.857 32.625 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 41.579 30.452 33.447 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 42.099 30.891 32.094 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 62.656 5.187 56.737 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 63.212 5.272 57.511 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 61.942 4.614 57.017 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 71.316 13.200 -4.501 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 70.510 13.048 -4.008 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 71.893 13.650 -3.883 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 76.034 47.684 -4.746 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 75.323 48.143 -4.298 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 76.096 46.841 -4.297 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 52.913 77.996 -1.044 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 53.073 77.839 -1.974 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 52.368 77.259 -0.767 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 46.348 46.378 -4.061 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 46.098 47.221 -4.440 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 45.864 46.332 -3.237 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 57.772 68.204 58.525 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 56.865 68.151 58.825 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 58.258 68.523 59.286 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 32.354 25.786 59.466 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 33.017 25.316 59.971 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 32.385 25.385 58.597 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 28.055 33.688 9.068 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 27.588 33.140 8.437 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 27.561 34.508 9.084 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 47.524 16.197 19.474 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 47.190 17.043 19.773 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 47.453 16.235 18.520 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 32.188 15.513 0.272 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 32.142 16.115 1.015 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 32.343 16.078 -0.485 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 42.553 25.864 34.948 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 43.216 25.240 34.652 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 41.781 25.664 34.418 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 88.877 94.229 64.400 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 89.577 94.346 63.756 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 88.396 95.057 64.383 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 21.037 66.405 22.399 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 21.080 65.594 21.891 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 21.041 66.116 23.311 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 75.799 72.970 16.917 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 75.667 72.209 16.353 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 75.090 73.569 16.683 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 86.832 72.523 22.676 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 87.363 71.916 22.161 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 86.829 73.332 22.165 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 64.989 33.147 39.221 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 64.448 33.894 38.965 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 65.481 32.924 38.431 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 42.156 19.462 42.777 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 41.356 18.943 42.695 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 42.853 18.876 42.485 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 65.678 66.224 57.564 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 65.056 66.471 56.879 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 65.973 65.348 57.315 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 86.040 13.801 52.881 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 85.863 14.446 52.196 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 86.052 14.309 53.692 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 84.753 41.678 -5.111 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 85.405 41.152 -4.648 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 84.114 41.041 -5.430 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 77.391 33.360 -3.621 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 76.578 33.189 -3.144 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 77.521 34.305 -3.543 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 33.451 8.005 -18.846 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 32.533 8.135 -18.610 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 33.936 8.220 -18.050 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 47.070 77.041 -16.766 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 46.318 77.623 -16.658 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 46.841 76.491 -17.516 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 54.618 18.773 -0.556 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 54.346 19.313 -1.298 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 54.671 19.385 0.179 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 89.012 36.964 32.721 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 89.662 37.194 33.385 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 89.378 36.197 32.283 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 31.474 58.975 37.439 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 31.275 59.757 37.953 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 32.191 59.241 36.863 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 52.260 83.649 56.910 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 51.874 84.282 57.515 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 53.173 83.577 57.188 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 84.147 81.830 17.290 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 84.653 81.788 18.101 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 83.314 81.412 17.504 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 20.852 20.262 -15.270 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 21.246 20.082 -16.124 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 20.873 21.216 -15.193 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 46.158 27.982 -0.838 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 45.499 27.291 -0.906 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 46.988 27.515 -0.752 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 71.942 89.273 48.785 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 72.526 88.559 48.530 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 71.647 89.039 49.665 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 44.156 4.458 61.962 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 45.018 4.521 62.375 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 44.128 5.194 61.352 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 81.091 92.133 -3.548 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 81.642 92.077 -4.329 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 80.274 91.703 -3.799 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 73.116 12.236 48.243 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 73.058 12.234 47.288 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 73.898 11.720 48.438 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 36.867 15.192 25.672 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 37.654 14.972 25.173 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 37.069 16.034 26.081 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 55.304 71.788 -1.054 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 56.080 71.951 -1.590 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 55.463 70.934 -0.654 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 61.986 94.711 -18.771 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 61.746 95.537 -18.352 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 61.152 94.324 -19.036 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 64.392 36.626 44.786 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 64.967 37.056 44.153 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 64.256 37.281 45.470 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 26.009 67.336 30.972 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 25.853 66.773 31.730 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 26.761 67.872 31.222 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 83.190 21.743 62.543 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 83.882 22.398 62.451 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 83.403 21.076 61.890 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 70.205 61.572 61.499 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 70.403 62.085 62.283 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 70.237 60.662 61.794 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 61.651 92.331 60.779 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 61.722 91.436 60.448 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 61.089 92.777 60.145 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 29.166 66.575 32.790 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 29.337 66.021 32.029 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 29.860 66.353 33.411 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 42.945 38.094 18.193 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 43.553 38.074 18.932 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 42.834 37.176 17.948 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 66.810 17.670 62.467 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 65.998 17.886 62.009 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 67.167 16.925 61.985 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 88.295 3.868 -1.448 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 87.630 4.219 -0.856 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 88.447 2.976 -1.136 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 31.037 25.610 40.731 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 30.413 25.043 40.278 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 31.740 25.021 41.007 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 47.467 29.242 61.880 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 46.870 28.564 61.565 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 48.060 29.400 61.145 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 22.428 1.038 -6.887 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 22.711 0.740 -6.022 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 23.158 0.820 -7.467 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 51.901 94.955 33.740 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 51.843 94.935 32.785 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 52.831 94.825 33.927 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 89.126 0.571 18.026 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 88.225 0.645 17.712 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 89.599 0.161 17.302 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 37.358 51.640 49.777 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 37.552 52.485 50.184 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 38.066 51.510 49.146 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 40.167 31.253 50.488 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 40.435 30.363 50.717 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 40.838 31.555 49.876 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 83.356 68.847 17.521 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 84.287 68.713 17.696 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 83.272 69.789 17.373 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 79.852 27.115 48.110 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 78.995 26.906 47.738 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 80.397 27.329 47.352 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 56.002 18.482 30.067 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 56.866 18.169 29.798 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 55.832 19.235 29.501 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 75.371 73.549 11.799 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 74.690 74.108 12.173 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 75.298 72.726 12.281 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 31.358 85.443 34.440 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 30.715 85.941 34.946 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 30.838 84.799 33.960 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 38.170 1.718 51.906 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 38.929 2.292 51.804 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 37.455 2.305 52.150 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 41.389 41.052 1.947 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 41.950 41.825 1.891 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 41.674 40.496 1.221 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 60.910 31.959 -1.105 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 60.477 31.312 -0.548 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 61.293 31.446 -1.815 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 74.621 59.359 -5.656 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 74.045 59.873 -6.223 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 74.194 58.505 -5.592 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 45.150 62.876 -4.388 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 45.864 62.398 -3.967 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 44.381 62.321 -4.259 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 26.596 51.078 32.854 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 27.037 50.847 33.672 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 27.034 50.548 32.188 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 59.598 89.189 61.375 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 59.920 89.884 60.801 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 60.390 88.771 61.713 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 59.065 96.623 54.955 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 59.228 96.805 54.030 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 59.678 95.921 55.174 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 41.192 53.294 1.684 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 41.139 53.743 0.841 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 41.998 52.781 1.633 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 20.886 47.067 4.593 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 20.203 47.252 5.237 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 20.410 46.809 3.804 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 87.226 65.005 -16.141 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 86.809 65.042 -15.280 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 87.938 64.375 -16.035 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 51.767 1.847 64.680 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 50.830 1.911 64.862 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 52.115 1.315 65.395 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 65.931 22.293 57.172 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 66.888 22.308 57.183 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 65.674 23.185 57.408 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 38.223 34.496 23.916 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 38.331 34.765 23.004 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 38.810 35.072 24.407 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 28.212 77.524 49.576 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 28.548 77.806 50.427 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 27.355 77.144 49.771 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 76.022 9.839 59.947 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 75.631 9.328 60.656 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 76.587 10.472 60.391 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 27.294 57.052 10.872 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 27.136 57.243 9.948 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 27.923 56.330 10.864 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 60.044 94.662 -16.364 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 59.729 95.142 -17.130 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 59.393 93.974 -16.227 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 51.355 91.377 28.850 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 51.903 92.076 28.492 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 50.488 91.539 28.480 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 81.317 82.052 49.736 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 80.592 81.459 49.537 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 82.069 81.673 49.280 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 86.215 76.107 -17.080 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 86.189 75.396 -17.720 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 86.564 75.703 -16.285 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 47.910 85.202 -11.827 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 46.983 84.967 -11.780 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 47.911 86.149 -11.967 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 83.651 1.703 52.752 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 83.591 2.559 53.176 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 82.812 1.599 52.301 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 45.696 86.949 10.989 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 45.054 86.784 10.298 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 46.070 86.088 11.179 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 42.160 29.134 26.542 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 42.496 29.275 25.656 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 41.309 29.571 26.548 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 45.590 74.713 -2.404 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 44.781 74.305 -2.095 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 46.270 74.366 -1.826 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 73.509 86.976 55.211 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 74.256 87.024 54.614 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 73.889 86.715 56.050 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 60.479 30.516 62.907 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 61.012 31.038 62.307 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 59.579 30.665 62.619 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 22.908 39.181 55.246 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 22.169 39.770 55.397 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 22.955 38.647 56.039 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 66.822 18.354 -11.993 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 66.435 19.180 -12.283 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 67.111 18.525 -11.097 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 77.539 30.089 5.360 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 77.257 29.730 6.201 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 77.442 31.036 5.459 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 26.697 69.749 6.748 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 26.211 70.278 7.381 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 27.617 69.934 6.937 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 55.527 1.448 15.273 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 56.243 1.597 14.656 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 55.938 1.504 16.136 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 34.435 19.400 26.249 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 34.672 20.318 26.117 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 34.166 19.094 25.383 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 24.834 6.216 56.168 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 25.347 5.782 56.850 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 25.485 6.539 55.546 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 77.093 34.273 16.490 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 76.506 33.627 16.098 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 77.077 34.075 17.426 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 84.009 96.367 49.521 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 83.129 96.608 49.811 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 84.481 96.165 50.329 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 71.146 94.463 40.310 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 70.815 95.132 40.909 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 71.232 93.678 40.851 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 53.283 36.359 -5.598 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 53.587 35.778 -6.295 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 53.985 37.002 -5.499 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 41.612 23.933 62.720 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 41.686 24.094 63.660 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 42.202 24.572 62.319 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 33.153 24.901 63.883 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 32.476 25.180 63.267 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 32.731 24.225 64.413 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 60.732 20.098 -14.582 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 60.463 19.455 -15.239 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 61.566 20.438 -14.906 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 81.332 23.495 -14.453 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 81.102 24.387 -14.192 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 82.038 23.605 -15.089 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 48.653 79.690 13.413 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 48.408 78.778 13.256 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 48.697 79.766 14.366 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 53.012 87.521 -9.783 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 53.203 86.621 -9.518 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 52.538 87.432 -10.610 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 35.230 28.284 28.230 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 35.898 27.832 28.746 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 35.693 29.021 27.831 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 78.005 75.566 21.709 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 78.288 74.985 21.003 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 78.738 75.569 22.325 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 44.102 96.562 13.055 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 43.942 95.667 12.756 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 43.262 96.849 13.414 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 29.263 26.988 27.977 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 29.153 26.041 27.894 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 29.084 27.328 27.100 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 35.484 32.296 -11.778 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 35.030 32.872 -11.163 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 36.367 32.661 -11.842 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 45.568 80.603 30.473 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 45.825 79.736 30.157 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 45.429 80.483 31.412 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 64.727 88.227 37.357 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 64.248 87.764 38.045 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 65.646 88.150 37.612 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 62.268 68.690 -7.272 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 61.796 68.587 -6.445 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 63.089 69.117 -7.028 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 64.370 73.810 21.115 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 64.193 73.840 20.175 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 63.510 73.695 21.518 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 37.901 13.854 43.273 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 38.070 14.138 42.375 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 37.677 14.658 43.741 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 45.472 20.241 29.616 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 44.563 20.054 29.380 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 45.934 19.418 29.457 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 71.221 94.648 60.020 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 70.784 94.908 59.209 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 70.568 94.802 60.703 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 81.689 65.223 37.861 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 82.212 65.927 38.244 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 80.856 65.637 37.637 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 33.646 23.347 19.531 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 33.527 23.189 20.468 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 34.563 23.608 19.447 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 61.787 50.105 62.671 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 62.612 50.519 62.419 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 61.488 50.607 63.429 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 64.980 32.307 52.953 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 65.806 32.640 52.600 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 64.390 33.060 52.934 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 80.895 86.331 12.048 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 81.628 86.278 11.434 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 81.132 85.734 12.757 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 41.094 74.493 25.465 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 41.193 74.210 24.556 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 41.704 73.941 25.955 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 89.376 59.703 48.289 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 89.820 58.863 48.407 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 88.768 59.760 49.026 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 25.404 79.373 -11.453 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 26.045 78.767 -11.081 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 25.880 79.828 -12.148 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 26.578 19.656 51.488 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 26.108 19.420 50.688 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 27.287 20.225 51.190 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 37.680 44.824 13.543 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 37.932 44.971 12.631 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 38.472 45.019 14.045 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 78.790 50.446 34.395 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 77.983 50.102 34.778 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 78.903 51.304 34.805 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 21.778 50.839 3.710 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 20.825 50.827 3.798 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 21.932 50.802 2.766 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 20.747 68.272 26.892 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 20.848 67.780 26.077 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 19.812 68.223 27.089 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 66.567 28.185 -11.289 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 66.650 27.314 -10.900 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 66.359 28.758 -10.551 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 45.457 39.686 10.314 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 46.228 39.707 10.881 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 44.742 39.998 10.869 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 84.043 68.010 57.941 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 84.336 67.523 57.172 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 84.827 68.096 58.484 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 85.556 87.866 9.389 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 85.421 88.305 10.229 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 84.675 87.625 9.100 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 49.340 39.805 52.811 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 50.177 40.268 52.860 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 48.742 40.336 53.337 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 48.137 7.777 -17.236 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 47.356 8.185 -16.862 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 48.704 7.610 -16.483 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 36.969 40.071 1.341 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 36.309 40.692 1.033 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 36.571 39.658 2.107 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 59.343 12.857 44.265 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 59.078 13.218 43.419 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 59.494 13.624 44.816 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 43.904 39.385 12.687 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 44.328 38.531 12.770 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 44.055 39.811 13.531 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 36.594 63.768 -10.601 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 35.680 63.812 -10.882 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 36.558 63.375 -9.729 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 21.222 27.029 21.753 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 20.391 27.176 21.301 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 21.085 27.386 22.630 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 26.781 43.973 -5.890 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 26.100 43.301 -5.919 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 26.301 44.797 -5.802 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 74.335 45.006 20.885 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 73.405 45.229 20.937 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 74.737 45.757 20.448 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 62.612 28.286 35.004 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 63.003 28.061 34.160 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 62.594 29.243 35.012 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 65.581 93.790 9.776 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 64.765 93.967 10.244 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 65.887 92.957 10.134 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 28.187 49.879 -3.423 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 27.861 49.082 -3.842 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 27.404 50.410 -3.275 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 21.550 87.600 -3.128 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 21.159 87.510 -3.997 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 21.239 88.448 -2.811 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 47.588 93.512 24.761 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 47.163 92.814 24.262 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 47.517 94.285 24.201 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 49.157 40.222 22.570 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 50.071 40.399 22.350 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 48.654 40.720 21.926 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 58.348 18.672 18.312 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 58.187 19.611 18.405 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 59.227 18.614 17.938 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 86.187 81.946 42.751 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 86.138 81.856 41.800 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 85.787 81.144 43.088 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 29.843 62.559 55.733 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 29.345 61.845 56.130 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 30.756 62.357 55.937 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 88.397 48.498 28.934 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 88.223 48.262 28.023 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 87.824 49.246 29.102 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 35.347 71.967 14.593 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 35.319 71.310 15.289 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 36.274 72.032 14.362 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 58.056 23.830 42.088 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 58.735 23.464 41.522 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 58.224 24.772 42.086 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 49.532 75.755 51.972 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 49.919 75.895 51.107 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 49.226 74.848 51.953 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 41.659 25.980 2.584 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 42.389 26.206 2.009 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 41.426 26.804 3.012 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 57.264 15.002 45.028 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 57.261 14.959 44.072 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 58.136 15.329 45.251 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 64.207 26.248 4.300 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 64.812 26.835 4.753 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 63.359 26.414 4.712 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 31.444 33.170 39.692 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 31.839 34.024 39.514 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 30.501 33.325 39.630 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 79.385 36.635 65.914 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 79.602 37.373 65.344 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 78.549 36.878 66.313 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 87.477 41.882 10.832 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 87.677 42.398 11.613 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 87.777 40.998 11.045 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 67.229 4.756 50.679 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 66.935 4.576 51.572 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 66.848 4.053 50.154 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 41.932 39.338 22.970 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 42.889 39.322 22.950 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 41.684 38.479 23.311 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 40.338 44.080 36.445 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 41.138 44.287 35.962 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 40.552 44.270 37.358 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 67.354 82.047 23.959 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 67.328 82.350 23.052 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 66.704 81.345 23.997 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 58.638 23.342 -8.820 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 58.202 23.514 -9.654 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 58.053 23.716 -8.161 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 63.528 81.028 -4.981 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 63.918 81.882 -4.799 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 63.339 80.662 -4.116 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 37.232 68.156 -1.056 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 37.654 68.688 -0.382 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 36.666 67.556 -0.569 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 55.764 46.074 19.842 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 54.974 46.197 19.316 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 55.910 45.128 19.837 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 25.823 73.101 -9.270 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 25.783 73.695 -10.019 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 25.500 73.620 -8.534 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 56.892 16.195 8.472 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 56.307 15.455 8.635 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 57.771 15.821 8.515 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 36.072 78.119 37.748 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 36.845 78.644 37.957 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 36.168 77.911 36.818 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 75.678 9.641 -15.583 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 75.730 10.062 -14.725 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 76.558 9.299 -15.737 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 41.754 13.342 60.174 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 41.969 13.007 59.304 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 41.238 12.646 60.580 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 88.263 71.303 58.579 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 87.929 71.282 57.682 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 88.755 72.122 58.633 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 39.903 10.428 -7.779 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 39.485 10.758 -8.574 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 40.721 10.034 -8.083 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 28.828 87.952 21.121 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 28.799 87.719 22.049 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 29.655 88.423 21.018 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 51.035 55.330 53.029 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 50.180 55.411 52.607 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 51.660 55.615 52.362 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 84.325 44.188 54.838 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 83.733 43.691 55.402 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 84.652 44.894 55.396 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 38.243 85.416 43.531 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 38.398 85.166 44.441 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 38.152 86.368 43.555 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 42.908 20.237 60.256 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 41.985 20.083 60.052 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 43.258 19.368 60.453 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 89.455 81.565 21.439 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 89.215 82.488 21.353 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 88.930 81.249 22.175 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 37.578 49.609 34.461 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 38.279 49.720 35.103 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 37.533 50.451 34.008 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 27.468 42.189 41.626 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 26.847 42.037 40.913 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 26.924 42.473 42.361 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 50.032 94.679 48.718 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 50.418 95.499 48.410 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 50.728 94.031 48.608 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 75.152 34.940 49.189 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 75.019 34.683 48.277 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 74.544 34.390 49.684 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 27.517 54.563 64.639 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 27.705 55.470 64.396 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 26.762 54.624 65.224 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 33.882 46.237 9.004 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 34.264 45.360 9.026 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 33.827 46.499 9.923 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 53.480 77.335 17.883 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 53.672 77.223 18.814 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 54.131 76.793 17.436 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 87.519 44.308 16.390 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 88.328 44.622 15.986 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 87.179 43.659 15.774 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 70.579 50.282 33.883 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 69.775 50.321 33.366 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 71.090 51.036 33.588 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 39.100 30.027 60.404 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 39.005 29.236 60.934 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 38.806 30.736 60.975 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 40.701 88.083 5.471 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 39.825 88.418 5.664 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 41.161 88.117 6.310 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 35.566 17.763 15.572 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 35.321 18.551 15.087 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 36.452 17.941 15.886 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 75.896 39.768 32.953 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 76.149 38.910 32.612 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 76.629 40.341 32.728 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 73.660 79.591 33.559 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 73.852 79.582 34.497 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 73.503 78.673 33.337 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 63.072 33.159 26.564 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 63.596 32.480 26.139 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 63.132 33.912 25.976 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 58.773 38.212 -13.295 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 59.470 38.279 -12.642 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 58.088 38.799 -12.977 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 60.304 63.473 55.693 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 59.371 63.259 55.673 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 60.655 62.946 56.411 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 83.571 46.743 18.904 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 83.863 47.223 19.679 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 84.368 46.612 18.390 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 23.872 42.271 12.210 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 24.584 41.699 12.496 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 23.628 42.761 12.996 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 39.506 57.029 0.551 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 40.123 57.760 0.527 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 39.792 56.497 1.294 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 37.066 36.830 -16.728 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 36.791 37.727 -16.536 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 36.700 36.648 -17.594 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 31.871 65.018 10.628 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 31.311 64.524 11.227 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 32.745 64.650 10.758 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 27.313 30.345 15.966 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 27.876 31.037 15.617 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 26.422 30.668 15.827 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 68.759 77.018 -5.019 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 69.355 77.263 -5.727 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 68.692 77.805 -4.479 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 30.222 44.610 20.920 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 29.720 44.791 20.125 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 30.983 45.188 20.859 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 61.918 2.500 59.976 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 62.493 2.617 60.732 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 62.500 2.570 59.219 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 47.841 41.791 54.494 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 47.087 41.379 54.073 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 47.518 42.059 55.354 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 43.454 13.141 42.374 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 43.129 13.715 43.068 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 44.147 12.629 42.792 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 86.026 61.539 0.461 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 85.718 61.128 1.269 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 86.420 60.823 -0.038 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 87.629 28.993 15.414 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 86.785 28.554 15.519 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 88.264 28.280 15.351 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 59.546 53.662 35.282 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 58.777 53.218 35.640 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 59.231 54.078 34.480 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 62.654 83.819 13.288 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 62.928 82.935 13.046 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 62.672 83.823 14.245 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 30.967 66.961 -9.110 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 30.364 66.230 -8.976 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 30.689 67.353 -9.937 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 25.101 86.246 0.670 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 25.762 85.576 0.843 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 24.279 85.761 0.606 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 68.770 38.745 43.351 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 67.846 38.502 43.291 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 68.759 39.675 43.578 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 26.185 52.558 1.967 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 27.066 52.305 2.243 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 25.675 52.573 2.777 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 83.997 27.399 8.544 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 83.138 27.223 8.160 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 84.498 27.802 7.835 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 49.103 73.004 1.137 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 49.899 73.523 1.250 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 49.347 72.322 0.511 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 44.460 55.632 14.286 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 45.138 55.330 14.890 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 44.094 56.411 14.706 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 85.413 64.114 25.560 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 85.757 63.289 25.218 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 84.916 63.862 26.338 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 66.323 59.088 55.902 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 66.237 59.941 55.478 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 65.925 58.472 55.287 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 36.475 91.655 -14.554 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 36.954 91.305 -15.305 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 36.378 92.588 -14.744 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 54.676 54.006 60.689 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 54.521 54.881 61.047 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 55.112 53.531 61.396 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 54.194 28.183 4.984 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 54.578 28.713 4.286 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 54.766 28.330 5.738 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 60.654 67.769 48.246 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 61.153 67.054 47.851 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 59.940 67.334 48.713 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 33.438 15.257 7.584 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 33.533 15.677 8.439 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 34.029 14.504 7.619 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 42.339 56.991 -11.109 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 41.685 57.188 -10.439 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 43.176 57.208 -10.698 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 28.066 38.847 60.910 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 27.782 39.464 60.236 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 28.712 39.333 61.423 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 36.469 61.674 37.599 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 36.465 61.548 36.650 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 35.824 61.047 37.927 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 35.772 86.410 26.329 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 36.112 85.572 26.642 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 36.108 86.486 25.436 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 55.516 19.870 -18.387 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 55.424 20.779 -18.670 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 55.572 19.920 -17.433 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 62.794 76.045 40.955 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 62.553 75.431 40.262 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 63.752 76.044 40.954 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 73.133 77.181 -18.111 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 72.231 77.365 -18.374 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 73.657 77.393 -18.883 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 58.201 65.352 -12.642 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 57.913 64.464 -12.431 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 57.630 65.919 -12.125 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 59.994 45.918 60.463 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 60.099 46.263 59.576 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 60.200 46.657 61.034 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 54.890 15.724 37.392 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 55.712 15.750 36.902 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 54.970 16.431 38.032 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 63.635 44.653 35.659 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 63.140 44.826 34.857 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 64.406 45.215 35.591 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 71.401 47.361 40.150 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 72.204 47.649 39.716 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 70.882 48.159 40.249 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 55.336 96.098 57.203 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 54.550 96.593 57.434 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 55.470 96.281 56.273 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 83.887 65.365 60.371 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 84.498 65.674 59.702 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 83.284 64.791 59.899 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 34.313 88.492 -13.608 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 33.970 89.117 -12.970 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 35.211 88.325 -13.322 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 84.856 20.346 8.735 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 84.605 20.625 9.616 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 85.696 20.777 8.578 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 69.788 20.333 44.981 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 70.446 20.423 44.291 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 69.063 19.869 44.562 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 29.069 59.112 -15.054 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 29.296 60.014 -14.826 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 29.473 58.582 -14.366 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 79.486 58.883 -10.980 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 79.240 59.808 -10.963 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 79.729 58.683 -10.077 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 28.725 49.377 5.727 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 28.450 50.291 5.803 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 29.657 49.388 5.945 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 23.875 35.417 16.229 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 23.968 35.561 17.170 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 23.218 36.055 15.952 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 88.461 67.452 66.352 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 88.664 67.082 67.211 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 87.505 67.495 66.330 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 62.323 91.480 63.482 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 62.405 91.775 62.575 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 62.872 90.698 63.531 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 40.215 49.004 12.459 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 39.714 48.750 13.234 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 40.836 49.658 12.779 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 70.418 85.963 9.726 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 71.288 85.635 9.951 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 70.030 85.270 9.192 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 28.002 82.177 20.756 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 28.083 81.226 20.818 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 27.179 82.318 20.288 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 66.625 30.730 -16.045 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 66.950 30.302 -15.252 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 66.299 30.014 -16.589 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 68.438 32.200 42.954 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 68.753 32.848 43.585 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 67.652 32.595 42.577 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 69.523 43.495 11.891 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 69.735 44.385 12.170 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 69.242 43.053 12.692 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 84.321 65.827 46.943 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 83.835 65.851 46.119 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 83.864 65.172 47.472 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 46.717 80.921 -9.124 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 46.990 80.587 -9.978 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 45.960 80.385 -8.886 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 21.235 88.034 8.904 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 22.084 87.853 9.307 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 21.070 88.957 9.097 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 20.462 36.471 45.609 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 20.867 35.733 45.153 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 21.197 36.950 45.992 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 56.916 45.031 43.143 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 57.099 45.969 43.192 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 57.282 44.759 42.302 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 27.654 81.946 -4.252 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 26.708 81.884 -4.125 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 27.765 82.009 -5.201 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 30.552 85.622 -7.387 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 29.750 85.380 -6.923 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 31.177 84.933 -7.163 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 26.994 56.356 57.794 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 26.419 55.979 57.127 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 26.782 55.875 58.594 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 41.156 17.134 9.008 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 41.886 17.743 9.118 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 41.321 16.443 9.649 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 85.673 54.474 57.685 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 85.412 54.328 58.594 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 85.903 55.402 57.647 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 72.916 93.640 9.133 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 72.212 94.234 8.873 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 72.955 93.718 10.087 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 77.768 38.240 -10.229 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 78.579 38.731 -10.359 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 77.888 37.795 -9.390 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 79.057 85.434 -8.448 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 80.010 85.518 -8.482 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 78.879 85.069 -7.582 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 67.134 92.965 7.627 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 66.889 92.145 7.198 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 66.447 93.111 8.276 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 44.991 34.740 9.185 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 44.732 34.150 9.893 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 44.500 35.545 9.353 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 34.937 69.560 66.156 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 34.137 69.047 66.033 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 35.647 68.943 65.980 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 62.761 53.388 26.416 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 62.374 53.038 27.219 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 62.167 54.089 26.149 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 46.950 45.984 23.977 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 46.552 46.398 23.211 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 46.343 46.171 24.694 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 29.983 26.064 0.015 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 29.222 26.465 -0.405 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 30.723 26.321 -0.535 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 75.396 60.318 37.708 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 74.946 60.914 38.307 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 74.731 59.675 37.465 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 39.181 4.366 32.360 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 38.853 4.939 33.053 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 39.572 4.961 31.721 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 25.496 12.626 40.062 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 26.443 12.645 39.921 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 25.366 11.951 40.728 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 50.472 12.527 -5.378 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 51.293 12.721 -4.925 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 50.391 11.575 -5.332 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 32.520 78.984 -14.401 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 33.406 79.085 -14.053 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 31.948 79.249 -13.681 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 48.513 89.092 34.422 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 47.677 88.778 34.076 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 49.165 88.500 34.046 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 34.030 9.892 65.652 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 33.454 9.254 65.232 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 34.067 9.617 66.568 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 77.530 20.015 6.846 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 76.746 20.206 6.331 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 77.210 19.508 7.592 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 75.193 14.950 -7.745 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 74.795 15.820 -7.700 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 74.517 14.360 -7.410 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 56.142 53.038 -11.307 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 55.555 53.661 -10.879 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 56.113 52.260 -10.750 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 29.468 78.743 16.220 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 28.746 78.148 16.419 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 29.462 79.376 16.938 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 30.165 34.017 15.871 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 30.036 34.957 16.002 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 30.710 33.745 16.609 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 50.630 57.237 -16.521 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 50.928 56.620 -17.190 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 51.335 57.881 -16.457 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 46.001 2.415 58.029 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 46.788 2.758 58.451 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 45.740 1.672 58.573 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 77.172 55.036 -8.890 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 76.595 54.670 -9.561 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 77.812 54.345 -8.721 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 42.467 51.065 12.821 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 42.295 51.800 13.410 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 42.870 51.465 12.050 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 69.965 80.374 54.240 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 70.890 80.460 54.471 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 69.543 81.123 54.661 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 31.464 56.155 -5.460 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 31.835 56.826 -4.886 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 30.935 55.609 -4.879 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 69.410 38.519 20.306 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 69.561 39.453 20.451 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 68.585 38.337 20.757 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 86.581 93.930 37.266 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 85.754 93.892 37.746 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 86.323 93.991 36.346 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 76.257 65.533 3.882 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 76.560 64.675 3.582 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 75.489 65.718 3.343 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 41.766 85.807 11.057 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 42.188 85.055 11.472 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 41.846 86.512 11.700 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 60.220 78.140 -5.220 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 61.147 78.087 -5.451 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 60.209 78.129 -4.263 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 50.151 83.696 23.594 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 50.409 83.339 24.444 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 49.297 84.098 23.752 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 37.017 94.329 60.237 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 37.966 94.218 60.179 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 36.897 95.249 60.473 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 62.442 87.458 15.006 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 63.282 87.036 15.187 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 61.801 86.749 15.060 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 83.619 28.806 46.160 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 84.042 27.990 45.894 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 82.704 28.565 46.309 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 55.172 89.401 12.294 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 55.610 89.160 13.110 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 54.264 89.127 12.419 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 40.544 80.710 59.278 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 41.214 81.393 59.315 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 39.729 81.182 59.107 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 34.308 34.793 54.523 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 33.574 35.220 54.965 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 34.030 33.882 54.422 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 73.429 56.362 55.475 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 72.606 55.894 55.337 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 73.625 56.759 54.626 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 29.474 56.171 -0.957 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 28.946 56.955 -0.807 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 29.474 55.717 -0.114 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 62.033 48.574 -5.230 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 62.225 49.266 -4.597 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 61.447 47.977 -4.764 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 24.181 6.880 31.889 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 24.294 7.677 31.371 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 24.842 6.277 31.551 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 21.130 51.411 22.582 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 20.388 51.951 22.855 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 21.902 51.921 22.828 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 22.277 43.897 2.336 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 21.709 43.377 2.905 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 22.527 44.651 2.870 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 29.906 64.438 66.232 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 29.094 63.942 66.337 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 30.574 63.773 66.065 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 28.852 27.360 -5.198 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 29.405 28.078 -5.505 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 27.965 27.613 -5.455 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 88.366 19.911 9.614 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 87.791 20.665 9.485 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 89.229 20.291 9.775 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 25.419 37.580 59.776 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 26.069 36.906 59.578 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 25.935 38.368 59.945 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 34.257 42.550 34.330 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 35.165 42.330 34.539 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 34.119 42.191 33.453 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 33.845 11.957 -18.136 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 33.830 12.428 -18.970 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 34.521 12.400 -17.623 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 37.929 28.741 -9.905 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 37.123 28.910 -9.417 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 38.464 28.215 -9.309 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 28.832 93.571 9.742 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 29.148 93.016 10.454 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 28.217 94.173 10.161 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 79.642 94.172 58.580 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 79.615 95.128 58.626 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 80.179 93.984 57.810 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 90.383 68.816 -4.217 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 89.928 68.656 -5.043 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 89.695 69.094 -3.613 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 85.753 58.200 60.535 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 86.303 58.205 59.751 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 85.338 59.063 60.542 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 48.899 8.917 32.117 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 49.702 8.929 32.637 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 49.192 8.727 31.226 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 62.211 91.982 0.766 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 61.894 91.709 -0.095 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 61.416 92.141 1.275 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 40.542 67.270 12.381 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 41.025 66.636 11.850 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 40.808 68.123 12.038 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 24.665 70.382 35.686 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 23.864 69.895 35.878 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 25.234 69.745 35.253 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 46.911 61.263 -2.963 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 46.944 61.104 -2.020 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 47.212 60.444 -3.356 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 39.424 32.288 27.778 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 39.675 32.364 28.698 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 38.959 33.103 27.588 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 42.948 52.128 6.641 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 42.799 51.287 7.073 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 43.668 52.525 7.131 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 46.236 96.091 16.323 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 46.509 95.705 17.155 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 45.835 95.367 15.842 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 54.872 39.737 21.602 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 54.834 40.686 21.726 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 55.807 39.532 21.603 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 29.961 50.409 51.969 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 29.467 49.975 52.664 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 29.399 50.341 51.196 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 34.578 73.431 -9.994 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 34.338 73.242 -9.087 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 34.220 72.698 -10.495 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 68.104 68.406 32.934 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 67.401 68.804 33.448 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 67.958 67.464 33.017 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 82.506 35.228 38.636 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 82.700 34.750 39.442 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 83.155 34.913 38.007 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 78.712 66.324 25.954 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 78.950 67.220 26.193 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 79.204 66.152 25.151 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 36.489 77.319 11.661 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 37.436 77.462 11.661 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 36.304 76.941 12.521 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 51.858 17.580 5.249 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 51.281 16.817 5.241 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 51.596 18.071 6.028 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 23.681 53.530 30.947 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 24.420 53.016 31.271 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 23.763 53.496 29.994 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 37.633 39.189 58.986 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 38.323 39.848 58.917 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 37.619 38.952 59.914 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 48.636 16.102 -14.514 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 48.121 15.977 -15.311 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 49.524 16.272 -14.827 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 27.193 43.917 5.690 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 27.586 44.700 5.304 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 26.878 44.205 6.547 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 71.080 70.837 1.927 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 71.425 69.951 1.812 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 70.146 70.758 1.732 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 49.069 84.325 36.433 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 48.774 84.287 37.343 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 49.991 84.577 36.490 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 69.019 72.407 36.287 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 68.190 72.629 35.863 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 69.295 73.219 36.713 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 61.426 86.177 12.416 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 61.863 85.372 12.693 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 62.065 86.869 12.589 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 39.991 55.987 -18.347 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 40.582 56.645 -17.981 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 40.542 55.473 -18.938 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 90.385 40.948 13.070 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 90.117 41.860 13.182 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 90.885 40.943 12.254 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 27.463 41.476 33.663 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 28.402 41.597 33.525 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 27.087 41.496 32.783 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 66.355 36.455 47.725 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 65.770 36.455 46.968 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 66.186 35.619 48.160 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 22.550 36.344 48.951 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 23.054 36.382 48.137 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 21.859 36.996 48.835 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 84.243 61.880 41.514 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 84.132 61.054 41.985 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 84.116 61.651 40.593 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 87.618 62.020 41.712 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 88.199 61.967 40.953 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 88.155 61.724 42.447 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 36.988 74.249 12.666 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 36.354 74.020 11.986 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 36.472 74.708 13.329 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 56.468 86.682 22.883 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 57.030 86.764 22.112 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 56.991 87.041 23.600 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 33.864 4.104 60.687 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 34.104 4.429 61.555 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 34.325 4.682 60.079 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 39.090 79.035 -9.457 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 39.137 78.403 -10.175 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 39.481 78.579 -8.711 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 37.806 24.932 -5.882 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 37.792 24.666 -4.963 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 38.682 25.294 -6.014 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 64.205 7.357 3.067 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 63.589 7.923 3.532 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 63.878 6.470 3.220 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 54.042 43.323 -8.422 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 54.485 43.980 -7.886 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 53.768 42.650 -7.799 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 78.837 42.213 44.730 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 79.166 42.852 45.361 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 78.013 42.587 44.416 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 66.473 38.414 53.842 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 65.646 38.250 54.295 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 66.219 38.853 53.030 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 24.307 33.326 38.516 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 24.233 32.438 38.865 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 23.494 33.461 38.029 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 53.662 22.260 0.505 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 53.843 23.103 0.921 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 54.477 21.767 0.597 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 50.918 17.263 15.178 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 50.957 17.720 16.018 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 51.175 17.923 14.534 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 77.718 44.850 -17.751 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 77.193 45.145 -18.496 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 77.078 44.679 -17.060 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 66.140 42.639 43.199 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 65.531 42.969 42.537 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 66.641 43.408 43.469 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 43.342 41.561 35.917 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 43.450 42.510 35.981 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 44.108 41.265 35.425 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 33.764 40.978 -8.723 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 33.968 40.069 -8.941 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 32.844 40.963 -8.462 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 39.976 7.340 2.160 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 39.931 8.213 2.549 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 40.078 7.500 1.222 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 38.689 1.247 5.434 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 38.874 2.020 5.968 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 37.737 1.159 5.460 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 31.020 3.795 0.500 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 30.956 3.907 -0.449 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 31.388 4.621 0.815 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 86.198 82.891 12.459 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 86.457 82.954 11.539 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 85.880 83.767 12.679 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 32.523 56.270 18.188 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 33.467 56.174 18.063 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 32.331 55.755 18.972 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 90.622 15.201 -18.252 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 89.855 14.833 -17.813 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 90.751 16.053 -17.836 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 35.194 90.598 60.468 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 35.111 90.360 59.545 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 34.831 91.482 60.522 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 79.420 33.688 -1.597 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 79.600 33.529 -2.523 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 78.859 32.959 -1.333 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 81.507 53.353 52.852 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 80.704 53.659 52.430 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 82.026 52.982 52.138 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 20.733 68.668 51.082 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 21.068 68.667 50.186 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 19.880 69.099 51.019 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 32.844 91.849 4.439 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 32.997 91.710 5.373 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 32.625 92.778 4.367 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 81.423 10.026 5.666 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 81.849 9.356 5.131 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 82.030 10.765 5.654 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 86.439 47.976 -5.806 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 86.358 48.716 -6.407 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 85.733 48.104 -5.172 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 31.918 18.207 31.242 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 31.323 18.458 31.949 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 32.532 18.938 31.175 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 88.452 25.825 -0.709 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 88.943 26.182 -1.450 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 88.852 26.228 0.061 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 37.286 61.844 8.898 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 37.387 62.322 8.074 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 38.104 61.358 8.995 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 41.304 16.467 54.555 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 40.705 17.213 54.530 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 42.011 16.747 55.138 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 54.570 93.752 -13.310 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 54.043 92.979 -13.110 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 54.975 93.554 -14.155 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 54.528 17.355 26.973 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 54.917 18.174 27.280 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 53.681 17.614 26.609 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 89.958 17.928 65.069 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 89.785 17.329 64.342 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 90.218 18.747 64.648 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 23.845 73.825 39.206 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 24.262 73.073 38.785 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 24.541 74.225 39.727 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 44.107 49.480 7.608 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 44.889 49.494 7.055 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 44.444 49.537 8.502 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 28.889 1.595 28.654 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 28.919 1.051 27.866 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 29.691 1.375 29.128 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 85.296 90.145 7.680 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 86.112 89.733 7.962 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 84.914 89.523 7.061 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 47.096 8.865 36.566 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 46.880 8.889 35.634 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 48.031 9.068 36.601 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 62.382 84.832 -13.086 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 61.935 84.997 -12.256 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 62.762 83.959 -12.984 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 77.785 16.037 2.643 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 78.640 16.192 2.242 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 77.506 16.898 2.955 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 77.918 84.779 8.921 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 78.144 83.905 8.602 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 77.724 84.654 9.850 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 46.808 86.120 64.927 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 46.197 85.433 64.662 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 47.508 86.083 64.274 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 40.935 12.609 52.177 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 41.044 13.516 51.893 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 41.018 12.644 53.130 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 54.922 81.421 26.947 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 54.139 81.642 27.452 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 54.593 80.921 26.200 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 81.539 8.701 -3.452 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 81.429 9.591 -3.785 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 82.407 8.701 -3.048 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 82.331 92.471 46.442 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 82.932 92.970 46.995 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 81.603 93.071 46.277 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 23.799 12.695 65.875 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 24.250 12.674 65.031 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 23.457 13.586 65.943 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 57.759 3.686 -16.505 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 58.427 3.110 -16.133 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 56.982 3.132 -16.584 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 33.244 2.658 57.426 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 32.800 1.930 57.861 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 32.536 3.180 57.049 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 69.274 71.698 -6.550 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 69.207 70.756 -6.395 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 68.394 72.033 -6.380 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 86.838 79.163 34.942 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 87.147 78.315 34.621 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 87.474 79.793 34.604 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 67.453 37.610 8.605 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 67.073 38.464 8.812 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 66.757 37.142 8.144 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 39.353 1.952 62.859 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 39.955 1.916 62.116 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 39.153 2.882 62.961 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 87.284 4.916 5.472 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 87.766 5.382 6.156 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 86.555 5.498 5.254 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 53.772 14.254 -17.822 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 54.333 14.913 -17.413 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 54.354 13.776 -18.412 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 33.229 46.808 40.838 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 33.266 45.885 40.585 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 32.925 46.796 41.746 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 61.991 74.536 -2.569 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 62.221 75.395 -2.215 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 61.214 74.274 -2.075 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 85.248 89.017 0.120 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 84.730 88.633 0.828 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 85.262 89.955 0.315 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 50.460 81.942 -18.251 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 50.300 81.603 -17.371 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 49.782 82.605 -18.380 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 60.927 74.301 -15.398 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 61.092 73.503 -14.896 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 60.236 74.751 -14.912 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 26.314 5.707 30.454 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 26.270 4.761 30.317 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 27.095 5.983 29.976 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 34.940 35.890 65.158 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 35.263 34.992 65.235 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 34.074 35.869 65.565 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 60.578 55.135 25.960 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 59.689 55.300 26.272 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 60.520 55.227 25.009 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 87.265 95.214 60.153 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 87.896 95.824 60.535 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 87.662 94.351 60.272 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 43.246 37.939 -0.891 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 44.012 37.576 -0.446 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 43.156 38.822 -0.531 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 83.894 76.602 55.516 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 84.267 77.483 55.542 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 84.024 76.260 56.400 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 47.568 76.820 -2.585 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 46.793 76.264 -2.659 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 47.276 77.680 -2.886 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 67.607 67.413 -8.793 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 67.324 66.918 -9.562 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 67.878 66.745 -8.164 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 24.538 88.422 36.531 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 25.121 88.562 35.785 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 23.986 87.685 36.269 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 27.924 40.747 2.907 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 28.332 40.641 2.048 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 26.993 40.860 2.718 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 54.138 74.599 38.571 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 53.570 74.535 37.803 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 53.538 74.736 39.304 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 64.877 19.719 45.597 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 65.386 20.333 45.066 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 63.967 19.891 45.356 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 70.429 70.948 45.350 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 70.490 70.871 44.397 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 71.167 70.435 45.679 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 63.610 9.644 -11.047 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 63.954 9.044 -10.385 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 62.871 9.175 -11.435 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 39.934 93.629 -14.018 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 40.147 92.824 -14.490 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 39.560 94.206 -14.683 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 29.684 70.807 33.101 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 29.246 71.626 33.333 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 30.354 70.695 33.775 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 80.862 51.036 49.324 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 80.769 51.673 48.615 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 81.620 50.507 49.073 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 76.961 19.452 35.979 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 77.909 19.467 36.105 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 76.711 18.543 36.144 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 55.431 15.635 -13.584 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 55.411 14.970 -14.272 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 54.759 16.267 -13.841 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 59.779 1.244 52.455 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 60.720 1.331 52.304 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 59.386 1.938 51.926 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 63.323 38.619 32.290 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 62.906 37.889 31.833 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 62.596 39.181 32.558 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 81.029 84.139 66.471 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 80.088 84.015 66.346 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 81.122 85.069 66.678 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 77.533 42.797 41.575 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 77.426 43.719 41.808 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 78.212 42.797 40.901 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 39.938 16.690 2.282 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 39.384 17.432 2.038 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 40.680 16.736 1.678 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 52.002 31.068 61.091 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 51.306 30.987 61.743 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 51.741 31.814 60.552 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 66.695 10.896 -10.440 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 65.838 10.563 -10.706 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 66.795 10.604 -9.534 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 63.270 7.059 10.326 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 63.517 6.274 10.815 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 62.319 6.996 10.238 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 27.137 21.799 21.279 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 27.564 21.194 21.885 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 27.053 21.302 20.465 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 36.751 21.407 11.704 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 37.488 21.835 11.269 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 37.122 21.053 12.512 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 68.693 29.627 48.261 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 67.744 29.746 48.233 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 69.006 30.320 48.842 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 58.098 41.026 47.750 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 58.321 40.217 47.289 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 58.869 41.583 47.644 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 34.278 24.677 9.419 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 34.655 25.438 9.861 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 33.393 24.953 9.181 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 60.062 14.313 65.939 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 60.647 14.673 66.606 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 59.304 14.898 65.944 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 55.507 64.738 57.130 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 55.801 63.850 57.337 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 56.293 65.182 56.812 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 68.124 33.789 0.683 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 67.502 34.015 -0.009 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 67.757 34.182 1.474 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 56.368 26.668 -16.913 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 56.419 27.285 -17.642 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 56.307 27.221 -16.134 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 38.110 78.529 7.229 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 37.591 77.826 6.837 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 37.700 79.334 6.915 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 68.479 20.370 34.198 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 69.183 19.760 34.420 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 68.497 20.420 33.243 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 46.040 39.854 -13.657 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 45.756 39.980 -12.752 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 46.712 39.174 -13.605 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 81.869 61.142 17.527 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 81.386 60.722 18.238 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 81.642 62.070 17.598 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 34.838 4.536 2.160 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 34.092 5.114 2.322 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 35.586 5.128 2.074 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 85.340 31.562 38.091 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 85.857 32.367 38.128 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 85.379 31.293 37.173 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 76.396 26.441 22.173 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 77.338 26.372 22.326 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 76.202 27.372 22.285 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 90.476 86.130 5.282 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 89.723 86.453 5.777 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 90.104 85.510 4.656 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 54.247 37.554 4.542 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 55.121 37.698 4.180 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 54.389 37.468 5.485 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 39.821 45.609 14.675 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 40.391 44.899 14.971 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 40.358 46.398 14.757 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 49.259 40.216 -3.967 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 49.293 40.350 -3.020 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 49.569 41.042 -4.338 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 26.378 47.421 15.367 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 27.173 47.505 15.895 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 26.611 47.803 14.521 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 61.640 17.190 -5.781 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 62.065 16.382 -5.495 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 62.342 17.702 -6.183 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 75.819 2.844 4.197 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 75.003 2.346 4.247 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 76.188 2.789 5.079 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 32.185 85.489 40.471 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 32.719 84.823 40.903 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 32.815 86.143 40.168 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 27.306 33.341 31.389 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 26.553 33.930 31.336 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 27.622 33.437 32.287 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 64.239 13.979 -12.984 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 64.927 14.637 -13.085 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 63.435 14.432 -13.235 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 59.018 8.154 -17.688 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 59.823 7.648 -17.792 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 58.336 7.496 -17.553 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 55.342 12.720 -1.831 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 56.130 12.182 -1.907 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 55.645 13.534 -1.429 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 37.294 84.236 35.478 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 37.370 83.437 34.956 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 38.167 84.628 35.444 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 82.066 35.986 -4.158 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 82.485 36.836 -4.297 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 81.560 36.096 -3.353 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 53.765 53.271 63.727 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 53.765 52.452 64.223 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 54.691 53.460 63.576 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 83.573 73.117 47.891 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 83.927 72.441 48.470 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 83.010 73.646 48.456 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 43.872 28.284 34.313 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 43.690 28.982 34.943 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 43.334 27.549 34.607 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 73.453 4.834 38.712 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 74.116 4.184 38.941 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 72.876 4.868 39.475 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 33.135 10.521 60.060 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 32.370 10.569 59.485 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 33.182 11.385 60.468 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 63.252 82.809 24.547 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 63.069 81.875 24.443 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 64.199 82.854 24.682 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 24.752 73.646 62.522 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 25.627 73.580 62.905 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 24.529 74.575 62.592 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 87.669 89.854 39.695 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 87.700 88.940 39.414 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 88.578 90.151 39.648 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 58.065 61.042 -17.686 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 58.407 60.149 -17.660 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 57.582 61.138 -16.866 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 58.716 49.666 36.064 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 58.668 50.622 36.035 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 58.571 49.391 35.159 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 72.933 40.648 65.246 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 73.205 40.891 66.131 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 72.110 40.174 65.370 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 44.463 61.266 -9.706 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 43.620 61.577 -9.374 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 45.113 61.695 -9.149 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 28.338 0.890 33.736 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 27.743 1.310 33.114 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 27.955 1.072 34.594 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 47.275 72.708 -5.483 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 47.996 72.407 -4.930 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 46.490 72.345 -5.073 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 63.550 1.430 43.000 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 63.674 1.743 42.104 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 63.989 0.580 43.020 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 43.909 78.401 46.101 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 43.581 78.976 45.410 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 43.126 78.131 46.581 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 74.802 20.483 -10.345 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 75.667 20.860 -10.503 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 74.728 20.445 -9.391 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 41.284 86.088 61.371 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 40.361 86.248 61.568 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 41.720 86.121 62.222 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 53.575 31.648 66.183 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 52.812 31.919 66.693 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 53.214 31.110 65.479 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 53.862 48.512 63.885 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 53.569 48.081 63.082 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 53.146 49.104 64.115 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 63.409 5.695 59.260 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 62.453 5.700 59.310 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 63.683 6.420 59.822 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 30.459 27.961 -3.024 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 30.721 28.849 -3.269 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 30.031 27.613 -3.806 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 53.440 17.184 48.194 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 53.867 16.647 47.527 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 52.913 16.565 48.699 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 52.577 44.106 21.276 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 52.823 45.000 21.512 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 51.952 44.211 20.558 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 70.897 35.675 55.342 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 71.436 36.283 54.837 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 70.005 35.827 55.028 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 62.221 42.992 2.854 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 61.661 43.142 3.615 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 61.761 42.324 2.345 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 65.773 21.662 14.637 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 65.338 20.943 14.178 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 65.089 22.321 14.752 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 46.164 54.565 -7.968 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 46.548 55.021 -7.220 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 46.275 55.170 -8.701 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 89.414 14.982 60.496 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 89.768 15.589 61.146 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 89.620 14.113 60.841 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 64.286 96.122 -19.642 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 64.513 96.603 -18.846 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 63.425 95.747 -19.458 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 70.836 42.805 51.662 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 71.112 42.272 52.408 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 71.232 42.377 50.903 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 27.511 12.935 65.838 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 27.097 12.802 66.691 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 27.515 12.066 65.436 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 46.018 20.036 47.046 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 46.356 20.908 46.840 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 45.986 19.585 46.203 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 75.693 6.102 -16.212 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 76.270 6.514 -16.855 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 75.382 5.306 -16.644 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 45.039 81.501 38.965 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 45.992 81.548 38.891 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 44.744 81.230 38.096 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 69.813 95.074 62.281 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 69.029 95.593 62.461 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 70.321 95.119 63.091 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 87.599 23.430 63.502 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 87.074 23.157 64.255 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 88.502 23.242 63.759 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 53.814 19.729 58.300 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 52.858 19.700 58.337 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 54.021 20.657 58.191 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 48.253 7.120 42.589 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 47.934 7.170 41.687 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 49.140 6.769 42.510 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 67.822 72.350 12.823 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 67.564 72.132 13.719 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 67.651 71.552 12.324 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 62.191 56.728 23.070 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 61.424 56.155 23.078 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 62.551 56.635 22.188 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 64.041 91.987 34.142 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 64.021 92.578 34.895 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 63.707 91.156 34.480 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 64.920 75.887 -9.479 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 65.753 76.215 -9.139 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 64.966 76.046 -10.422 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 72.535 68.604 42.407 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 72.965 68.181 43.151 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 72.255 67.879 41.848 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 50.991 44.642 -7.982 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 50.973 45.119 -7.152 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 51.218 45.305 -8.634 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 26.538 86.511 9.381 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 27.301 86.996 9.696 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 26.526 85.713 9.910 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 25.189 6.021 -18.765 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 25.400 6.208 -17.850 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 24.711 5.192 -18.736 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 59.790 61.157 -12.782 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 59.737 60.785 -11.902 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 60.106 62.050 -12.646 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 72.032 35.362 -12.895 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 72.564 35.427 -13.688 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 72.641 35.551 -12.181 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 38.103 10.948 23.949 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 38.749 11.495 23.502 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 37.806 11.482 24.686 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 37.214 60.475 41.594 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 37.377 61.417 41.544 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 38.086 60.081 41.605 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 85.509 50.002 19.689 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 85.876 50.184 20.554 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 86.273 49.927 19.116 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 36.328 37.920 45.784 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 36.856 38.540 45.281 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 36.438 37.086 45.327 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 86.557 32.290 66.299 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 85.704 31.890 66.466 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 86.538 33.111 66.790 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 48.306 45.461 34.677 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 49.195 45.696 34.944 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 48.424 44.745 34.053 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 44.625 17.875 19.615 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 45.119 18.632 19.928 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 43.710 18.157 19.646 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 57.026 3.366 39.801 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 56.439 3.542 40.536 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 57.893 3.287 40.200 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 85.589 63.895 -18.695 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 86.467 64.081 -18.362 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 85.019 63.980 -17.931 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 62.682 95.383 31.298 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 61.878 95.568 30.812 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 62.539 94.514 31.675 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 57.220 6.137 -17.677 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 57.734 5.591 -18.272 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 56.974 5.548 -16.964 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 43.959 13.394 -13.941 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 44.899 13.543 -13.839 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 43.567 13.797 -13.166 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 44.907 16.005 6.733 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 45.001 15.439 7.499 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 44.022 16.362 6.805 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 78.549 96.588 36.256 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 79.168 95.869 36.379 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 77.709 96.158 36.097 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 52.683 81.524 42.754 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 52.028 81.845 42.134 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 53.470 81.395 42.226 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 79.457 82.053 40.597 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 78.953 82.864 40.656 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 78.834 81.365 40.831 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 29.268 0.272 -10.762 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 29.483 0.732 -11.573 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 28.331 0.425 -10.641 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 57.033 74.158 59.770 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 57.807 73.642 59.995 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 56.371 73.508 59.533 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 80.282 24.017 41.384 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 79.590 24.340 40.808 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 80.424 24.726 42.011 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 25.856 89.151 40.795 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 26.752 89.315 40.499 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 25.731 88.210 40.672 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 89.386 53.774 50.221 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 88.691 53.149 50.018 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 89.217 54.518 49.643 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 56.917 42.043 40.601 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 57.206 42.954 40.548 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 56.088 42.081 41.078 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 71.324 29.589 30.260 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 71.392 29.995 29.396 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 71.136 30.316 30.854 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 76.406 94.652 39.058 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 76.551 95.365 39.680 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 75.473 94.454 39.133 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 20.069 74.718 54.974 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 20.756 74.950 54.348 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 20.540 74.352 55.723 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 29.022 48.252 33.069 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 28.358 47.845 33.624 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 28.526 48.814 32.473 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 23.184 62.421 -4.457 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 23.353 62.228 -3.535 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 22.503 63.094 -4.440 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 69.865 33.085 64.528 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 69.949 34.032 64.416 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 70.764 32.775 64.637 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 55.040 13.138 -7.787 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 55.245 12.668 -6.979 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 55.119 12.477 -8.475 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 72.668 52.946 17.319 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 72.081 52.971 18.076 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 72.689 52.025 17.062 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 31.464 57.932 -10.037 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 30.959 57.644 -9.277 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 32.269 57.414 -10.001 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 44.930 2.067 -12.423 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 45.475 2.852 -12.376 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 44.077 2.384 -12.719 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 79.885 40.219 -5.881 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 79.697 39.388 -6.318 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 80.138 39.971 -4.992 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 44.855 36.860 32.826 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 45.724 37.020 32.457 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 44.333 36.553 32.085 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 47.004 38.733 3.425 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 47.555 38.040 3.790 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 47.520 39.532 3.536 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 40.037 6.047 48.608 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 40.851 5.552 48.701 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 40.219 6.889 49.026 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 54.420 35.821 -15.598 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 53.583 35.542 -15.971 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 54.180 36.342 -14.832 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 28.161 20.302 3.512 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 28.670 20.502 2.727 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 27.297 20.674 3.339 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 53.402 17.700 30.908 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 53.451 16.763 31.096 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 53.944 17.817 30.128 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 73.732 13.631 61.557 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 72.954 14.173 61.427 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 73.584 12.863 61.005 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 87.338 43.870 -4.400 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 87.285 43.037 -3.930 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 86.576 43.867 -4.979 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 68.681 25.577 29.890 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 68.426 25.970 29.055 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 69.528 25.973 30.093 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 37.571 12.418 2.268 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 37.343 13.274 1.905 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 37.645 11.846 1.504 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 30.791 24.271 54.549 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 31.099 24.822 53.829 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 30.980 23.376 54.265 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 45.950 72.951 -17.911 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 46.802 73.150 -18.300 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 45.431 73.744 -18.052 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 85.850 52.946 11.248 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 85.913 53.812 10.847 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 86.757 52.702 11.436 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 87.775 42.763 -8.180 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 86.953 43.199 -7.952 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 87.650 42.476 -9.085 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 61.301 7.516 64.509 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 60.629 8.192 64.422 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 61.286 7.053 63.672 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 76.136 21.834 -15.009 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 76.637 21.026 -14.891 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 76.192 22.016 -15.947 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 27.078 45.016 43.305 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 26.228 44.689 43.603 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 27.706 44.655 43.930 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 75.938 45.349 -3.496 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 75.661 45.612 -2.618 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 75.162 44.941 -3.880 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 65.721 46.919 42.876 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 65.866 46.840 41.933 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 65.129 47.665 42.967 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 39.486 91.929 32.241 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 39.922 92.780 32.204 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 39.979 91.380 31.631 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 41.981 60.175 7.261 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 42.402 59.371 7.566 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 42.529 60.880 7.605 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 39.408 20.801 -10.575 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 38.938 21.377 -11.176 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 38.945 19.965 -10.631 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 88.831 74.909 7.317 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 88.979 74.057 7.725 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 89.550 75.456 7.635 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 28.113 20.515 19.325 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 27.776 20.250 18.469 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 28.856 21.084 19.125 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 80.805 90.159 37.856 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 81.661 89.820 37.593 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 80.226 89.398 37.827 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 54.949 58.357 56.277 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 55.834 58.516 55.947 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 54.390 58.925 55.746 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 31.270 89.228 36.250 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 32.116 88.832 36.460 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 31.449 90.168 36.210 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 75.314 1.155 13.922 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 75.407 1.543 13.052 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 76.132 0.678 14.060 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 80.890 62.588 44.173 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 81.736 62.663 44.614 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 81.110 62.403 43.260 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 38.333 22.667 56.842 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 38.258 21.808 57.259 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 39.111 23.059 57.239 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 70.749 15.205 58.780 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 70.711 14.353 58.345 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 71.295 15.743 58.206 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 48.194 22.858 65.524 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 48.685 23.449 64.953 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 47.803 22.219 64.928 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 36.298 18.862 34.405 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 36.971 18.738 33.735 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 35.543 19.203 33.925 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 42.240 28.686 3.319 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 41.921 29.271 4.006 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 43.044 29.100 3.005 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 32.910 31.948 -12.760 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 33.709 32.170 -12.282 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 32.337 32.705 -12.632 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 23.529 33.836 24.466 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 24.287 33.898 23.886 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 22.782 33.737 23.875 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 30.326 29.521 31.011 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 30.257 29.818 31.918 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 31.225 29.731 30.757 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 48.780 8.699 -1.790 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 48.021 8.412 -1.283 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 49.168 7.889 -2.121 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 28.651 64.590 42.759 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 28.237 65.199 42.148 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 29.134 65.151 43.367 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 54.211 79.331 52.206 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 53.488 79.649 51.666 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 54.597 78.619 51.695 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 26.774 96.441 6.923 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 27.221 95.722 6.474 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 27.461 96.868 7.434 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 86.907 47.398 51.200 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 86.595 46.864 51.931 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 86.957 48.286 51.556 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 35.275 39.347 35.103 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 35.693 39.969 34.507 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 34.912 39.891 35.802 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 52.523 16.798 18.471 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 53.041 17.547 18.765 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 51.751 16.803 19.036 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 54.606 18.371 16.281 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 53.684 18.369 16.537 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 54.965 19.163 16.680 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 37.021 32.460 38.152 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 37.875 32.892 38.173 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 36.443 33.093 37.725 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 25.190 0.197 55.846 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 26.082 -0.011 55.570 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 24.973 1.001 55.373 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 67.639 63.350 54.909 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 67.110 63.959 55.426 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 67.274 62.488 55.108 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 48.616 53.478 3.087 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 49.340 52.929 3.387 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 48.884 54.371 3.306 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 27.136 38.528 0.495 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 27.790 39.206 0.328 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 27.167 37.967 -0.280 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 78.923 2.008 65.551 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 79.023 2.596 66.300 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 78.516 2.548 64.874 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 40.944 18.793 -13.077 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 40.881 19.041 -13.999 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 40.158 18.270 -12.915 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 43.440 8.674 14.500 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 44.195 8.990 14.996 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 42.864 8.288 15.160 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 61.491 16.813 -13.569 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 62.102 17.363 -13.078 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 60.752 17.390 -13.762 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 41.721 94.783 27.441 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 41.881 95.129 28.320 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 41.445 95.544 26.930 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 27.117 35.683 58.871 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 26.623 34.865 58.811 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 27.951 35.431 59.267 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 88.815 0.912 61.110 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 89.565 1.265 60.632 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 88.498 1.645 61.636 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 45.429 57.545 -13.189 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 45.761 57.903 -12.366 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 44.806 58.201 -13.502 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 76.418 21.836 37.795 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 76.401 20.971 38.204 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 76.572 21.660 36.867 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 48.048 77.145 63.181 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 48.695 76.565 62.777 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 48.550 77.663 63.810 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 40.792 41.937 28.772 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 40.662 42.409 27.949 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 41.287 41.156 28.525 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 68.620 6.890 40.255 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 68.586 7.753 40.668 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 69.421 6.906 39.731 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 90.404 77.725 11.640 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 89.505 77.411 11.545 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 90.931 77.095 11.148 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 20.618 12.567 64.663 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 20.941 11.728 64.335 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 21.386 12.982 65.055 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 33.619 36.033 47.797 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 34.451 36.460 48.000 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 33.420 35.511 48.574 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 20.944 62.666 41.436 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 21.242 63.228 42.151 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 21.192 63.137 40.641 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 36.280 42.710 56.717 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 35.464 42.492 56.266 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 36.308 42.115 57.465 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 61.113 28.698 54.397 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 60.572 29.476 54.532 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 61.793 28.981 53.786 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 41.398 37.502 12.317 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 41.783 38.251 11.863 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 41.994 37.331 13.046 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 84.177 64.358 54.380 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 83.462 63.863 53.980 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 84.506 63.786 55.073 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 65.829 90.770 13.552 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 66.370 90.161 13.050 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 64.943 90.639 13.214 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 84.136 19.401 50.985 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 84.418 19.738 51.836 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 83.395 18.830 51.186 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 33.728 18.570 23.878 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 34.482 18.100 23.522 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 33.419 19.113 23.153 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 75.476 53.668 -5.811 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 76.283 53.165 -5.696 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 74.804 53.147 -5.372 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 46.612 12.555 2.887 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 46.186 12.825 3.701 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 46.900 11.658 3.053 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 81.360 28.431 13.956 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 81.053 28.000 13.159 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 80.606 28.409 14.546 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 64.438 66.251 53.869 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 63.517 66.257 53.607 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 64.477 66.839 54.623 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 29.506 95.164 -0.006 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 28.555 95.065 0.037 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 29.710 95.113 -0.940 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 36.159 46.822 57.222 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 36.637 47.336 57.873 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 36.836 46.316 56.772 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 55.624 48.235 35.494 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 56.150 47.875 34.780 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 55.512 49.158 35.268 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 86.575 40.790 61.575 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 87.359 40.567 62.077 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 85.857 40.378 62.056 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 76.512 46.956 35.673 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 75.729 46.416 35.783 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 77.035 46.784 36.456 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 76.119 84.636 26.366 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 76.025 85.381 26.959 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 75.436 84.024 26.639 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 85.134 0.822 64.741 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 84.491 0.186 65.056 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 85.354 1.343 65.514 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 56.499 52.681 -8.447 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 56.258 51.808 -8.755 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 56.440 52.625 -7.494 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 66.284 43.992 -11.612 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 66.342 44.938 -11.749 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 65.349 43.798 -11.675 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 25.049 89.642 -10.436 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 25.378 90.541 -10.414 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 24.137 89.713 -10.156 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 76.931 45.490 52.919 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 77.136 46.411 52.757 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 77.151 45.047 52.100 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 26.231 77.556 14.781 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 25.475 77.170 15.222 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 25.852 78.132 14.117 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 36.262 47.196 34.307 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 36.861 46.451 34.357 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 36.835 47.960 34.241 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 25.120 45.294 25.712 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 24.730 44.495 26.067 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 24.448 45.964 25.835 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 70.114 66.701 -0.446 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 69.274 66.746 0.010 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 70.687 67.287 0.047 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 36.079 90.254 45.065 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 35.868 91.151 45.325 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 36.241 90.308 44.124 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 32.194 49.972 -9.687 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 32.500 49.909 -8.783 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 31.830 50.855 -9.756 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 20.870 63.965 16.547 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 20.975 64.523 15.776 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 21.757 63.674 16.755 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 32.705 7.170 12.675 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 32.128 6.770 13.326 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 32.452 8.094 12.666 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 29.099 31.781 5.588 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 28.507 31.937 6.324 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 29.129 32.617 5.122 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 41.622 34.109 32.402 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 42.338 34.644 32.059 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 40.828 34.556 32.112 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 40.004 70.017 -0.582 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 40.663 69.610 -0.019 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 40.293 69.819 -1.473 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 63.815 9.931 52.585 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 64.345 9.963 51.789 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 64.055 10.724 53.065 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 76.541 87.390 46.642 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 76.262 87.759 47.480 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 77.200 86.736 46.876 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 44.458 38.594 37.810 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 45.133 39.173 37.458 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 43.730 38.671 37.193 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 72.615 66.963 48.292 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 71.842 66.403 48.361 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 72.498 67.432 47.465 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 25.656 29.974 4.959 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 25.559 29.572 5.823 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 26.494 29.644 4.634 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 65.040 15.273 61.784 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 64.382 15.097 61.111 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 64.537 15.586 62.536 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 37.609 62.074 -8.731 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 37.513 61.967 -7.785 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 38.554 62.075 -8.878 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 66.308 77.110 36.658 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 65.826 77.875 36.972 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 65.640 76.435 36.544 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 46.693 13.955 29.271 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 47.174 14.328 28.532 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 46.954 14.489 30.021 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 36.073 29.521 67.145 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 35.933 29.341 66.215 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 36.063 30.476 67.209 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 51.310 49.759 -12.703 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 50.962 49.209 -13.405 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 51.270 50.649 -13.054 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 51.934 38.495 20.950 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 52.866 38.641 21.114 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 51.711 39.117 20.258 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 89.773 30.595 57.825 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 90.309 29.992 58.339 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 88.879 30.269 57.927 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 61.271 32.145 -19.933 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 60.447 31.948 -19.486 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 61.483 33.038 -19.661 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 45.080 3.167 33.512 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 44.778 3.270 34.414 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 44.816 2.279 33.270 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 33.763 87.496 1.355 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 33.981 88.171 1.997 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 34.365 86.777 1.550 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 75.269 20.082 4.961 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 75.555 20.986 5.089 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 74.316 20.139 4.890 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 85.539 36.594 10.326 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 85.358 35.737 9.938 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 85.333 36.486 11.254 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 56.094 55.310 25.639 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 56.189 54.713 26.381 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 55.909 56.161 26.036 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 26.202 58.824 -14.612 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 27.029 59.298 -14.701 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 26.461 57.919 -14.441 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 34.182 38.482 -17.737 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 34.493 38.275 -16.856 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 34.550 39.345 -17.926 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 36.457 41.268 -4.972 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 35.983 41.676 -5.697 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 37.380 41.353 -5.211 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 23.790 69.432 13.468 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 23.745 69.347 14.420 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 23.288 68.687 13.136 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 52.342 52.250 26.457 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 53.080 51.703 26.187 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 51.579 51.678 26.380 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 76.251 41.696 50.368 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 76.142 41.862 51.305 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 75.547 41.085 50.149 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 69.788 78.453 62.254 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 68.975 78.024 62.521 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 70.367 77.734 62.001 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 33.751 49.752 -7.457 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 34.410 49.112 -7.724 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 34.189 50.599 -7.545 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 51.128 56.607 -12.370 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 51.457 57.495 -12.512 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 50.277 56.593 -12.808 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 78.755 58.414 44.965 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 79.265 58.345 44.158 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 78.780 59.344 45.187 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 87.479 58.467 11.929 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 88.253 58.859 12.333 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 87.713 58.370 11.006 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 62.395 18.776 8.430 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 62.637 19.327 7.685 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 63.231 18.479 8.789 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 82.583 17.809 -9.859 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 83.470 18.053 -10.124 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 82.176 17.477 -10.660 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 32.686 34.711 -6.768 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 33.065 35.544 -6.489 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 32.787 34.135 -6.009 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 54.853 27.514 58.478 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 55.567 28.038 58.115 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 54.384 28.116 59.056 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 79.388 56.207 41.594 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 78.633 56.567 41.129 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 80.007 55.973 40.903 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 81.118 40.394 25.749 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 81.114 41.047 25.049 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 80.595 39.670 25.405 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 59.731 45.682 -14.505 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 59.426 46.515 -14.146 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 60.130 45.232 -13.761 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 75.441 47.388 -16.231 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 74.697 47.439 -15.630 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 75.707 46.469 -16.205 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 29.133 32.574 -7.291 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 29.213 31.710 -7.696 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 28.915 32.391 -6.377 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 41.623 37.744 31.292 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 42.174 38.527 31.272 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 42.236 37.016 31.194 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 33.777 61.494 6.984 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 33.531 60.569 6.965 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 33.734 61.734 7.910 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 71.866 49.932 -8.748 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 71.101 50.317 -8.321 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 71.885 49.027 -8.435 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 39.329 77.374 -7.241 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 38.801 78.042 -6.803 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 40.232 77.589 -7.005 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 32.930 22.616 -1.614 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 32.002 22.381 -1.603 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 33.140 22.721 -2.542 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 37.924 63.816 -17.557 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 37.410 64.417 -17.018 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 37.825 64.148 -18.449 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 41.299 91.739 7.909 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 42.184 91.620 8.254 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 41.421 91.839 6.965 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 74.723 79.331 -16.790 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 74.185 78.596 -16.495 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 74.311 79.618 -17.605 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 35.005 82.151 44.150 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 34.602 81.348 43.821 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 35.509 82.488 43.408 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 55.108 50.298 57.573 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 54.697 51.019 57.096 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 55.801 49.988 56.990 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 44.421 51.732 -0.145 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 43.677 51.854 -0.736 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 44.028 51.450 0.680 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 61.296 28.252 12.073 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 60.582 27.626 12.194 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 61.418 28.646 12.937 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 34.771 42.760 19.417 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 35.626 42.340 19.322 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 34.155 42.141 19.026 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 36.543 9.503 64.346 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 36.164 8.973 65.047 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 37.365 9.064 64.129 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 33.804 37.888 6.742 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 34.335 38.446 7.311 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 33.383 38.496 6.135 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 44.775 78.030 24.965 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 45.584 77.805 24.505 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 44.564 77.248 25.476 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 29.527 65.893 58.870 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 29.476 65.207 59.535 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 29.095 66.648 59.271 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 24.013 18.018 55.017 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 24.063 18.116 54.066 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 23.093 17.813 55.188 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 36.574 8.340 15.435 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 36.242 8.973 16.072 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 36.646 7.521 15.925 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 71.103 26.848 29.800 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 71.587 26.678 28.992 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 71.118 27.801 29.892 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 33.801 38.404 44.147 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 34.116 37.844 44.856 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 34.594 38.791 43.776 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 39.122 51.849 17.435 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 39.629 52.385 18.045 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 39.734 51.173 17.143 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 53.050 67.968 15.618 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 52.893 68.836 15.245 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 52.354 67.421 15.253 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 44.866 39.921 -2.296 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 44.663 40.746 -1.856 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 44.707 39.250 -1.632 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 65.815 41.927 23.492 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 64.899 41.855 23.223 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 65.881 42.797 23.885 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 74.939 65.000 21.381 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 75.126 64.144 21.767 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 75.058 64.870 20.440 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 64.152 17.958 -14.986 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 64.502 17.149 -14.612 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 64.502 17.982 -15.876 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 65.066 85.886 14.336 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 64.820 84.976 14.501 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 65.899 85.829 13.868 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 38.284 65.176 63.207 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 38.601 64.892 62.349 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 38.694 66.030 63.343 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 67.282 69.360 42.308 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 67.888 69.520 43.031 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 66.429 69.251 42.729 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 57.718 44.634 40.460 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 58.614 44.920 40.286 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 57.170 45.354 40.148 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 61.337 11.868 8.550 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 61.346 11.305 7.776 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 60.422 11.874 8.833 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 50.573 75.949 4.741 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 50.234 75.053 4.739 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 50.644 76.176 5.668 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 75.988 75.726 64.506 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 75.171 75.471 64.935 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 76.567 75.978 65.225 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 43.594 22.390 -7.859 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 42.893 22.190 -8.479 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 44.337 22.639 -8.408 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 50.661 3.151 10.982 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 50.235 3.838 11.494 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 51.485 2.985 11.441 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 27.256 27.907 31.560 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 26.565 28.383 32.019 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 26.820 27.526 30.797 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 44.198 53.734 12.120 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 45.123 53.937 11.982 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 43.999 54.095 12.984 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 90.516 54.598 -15.415 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 90.159 54.008 -14.751 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 90.104 54.317 -16.232 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 53.076 53.235 15.634 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 53.305 53.399 14.720 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 52.200 52.851 15.597 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 22.824 45.649 19.894 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 22.856 46.212 20.668 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 22.695 46.254 19.163 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 77.962 38.467 61.350 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 78.753 37.928 61.318 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 77.341 38.017 60.777 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 42.600 79.893 48.450 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 41.717 79.912 48.082 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 42.475 80.047 49.386 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 44.345 37.438 -11.257 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 44.059 37.920 -10.481 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 43.884 36.601 -11.203 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 51.251 18.808 7.512 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 50.427 18.652 7.974 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 51.767 19.343 8.114 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 21.146 91.972 55.264 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 21.328 92.788 54.796 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 21.136 92.223 56.188 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 35.981 67.636 31.414 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 36.856 67.980 31.236 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 35.775 67.099 30.648 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 34.249 92.225 -9.307 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 34.165 93.177 -9.249 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 34.181 91.923 -8.401 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 70.416 76.604 48.324 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 70.131 76.065 47.586 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 70.920 77.312 47.923 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 35.291 53.072 36.185 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 35.139 53.978 35.916 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 34.583 52.883 36.801 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 33.671 19.263 52.029 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 33.087 19.333 52.784 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 33.885 18.331 51.976 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 25.254 40.885 1.782 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 24.989 41.434 2.520 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 25.560 41.505 1.120 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 80.104 43.516 9.620 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 79.175 43.312 9.721 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 80.325 44.026 10.400 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 29.213 93.864 3.195 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 28.295 94.049 3.000 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 29.183 93.217 3.900 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 89.090 95.359 -14.669 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 89.906 94.928 -14.416 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 88.690 94.764 -15.303 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 56.459 51.842 21.977 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 56.770 51.195 21.344 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 55.529 51.641 22.088 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 32.083 55.012 0.421 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 32.644 55.677 0.821 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 32.174 54.248 0.989 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 49.127 24.699 48.159 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 48.700 25.388 47.649 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 49.813 24.363 47.581 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 25.466 86.667 53.084 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 26.367 86.689 52.761 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 25.070 87.470 52.746 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 77.391 44.977 31.674 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 77.750 44.788 30.807 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 76.680 45.597 31.509 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 81.936 70.125 27.022 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 82.363 69.728 26.262 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 81.132 69.618 27.137 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 82.844 22.788 42.279 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 81.939 23.078 42.396 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 83.307 23.133 43.042 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 74.727 93.924 -17.621 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 74.891 93.066 -18.013 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 74.958 94.549 -18.308 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 78.531 84.091 -6.164 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 77.817 83.533 -5.857 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 79.310 83.746 -5.727 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 35.902 8.402 61.875 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 35.911 7.477 62.123 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 35.907 8.873 62.708 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 35.439 71.393 9.743 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 36.314 71.022 9.624 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 34.911 70.664 10.069 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 27.459 48.137 -5.439 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 26.864 48.851 -5.667 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 26.903 47.357 -5.421 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 87.986 82.780 0.085 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 88.680 82.909 -0.562 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 87.727 81.865 -0.021 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 26.982 47.681 8.202 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 26.772 48.120 7.377 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 27.915 47.481 8.137 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 41.111 92.841 17.894 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 41.813 92.192 17.932 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 40.718 92.720 17.029 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 28.953 15.628 7.380 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 29.168 16.537 7.589 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 29.359 15.119 8.081 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 89.610 22.488 34.601 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 89.972 23.326 34.890 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 90.375 21.925 34.481 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 41.929 67.242 18.370 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 42.371 66.481 17.992 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 41.889 67.054 19.308 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 33.665 90.337 -2.859 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 33.925 90.291 -3.779 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 34.393 89.937 -2.384 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 55.277 95.404 17.252 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 55.247 95.877 18.084 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 55.174 96.084 16.586 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 86.335 73.499 14.432 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 86.654 72.798 15.001 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 85.750 74.013 14.990 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 41.578 3.292 8.749 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 41.623 4.234 8.911 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 42.060 2.900 9.477 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 82.895 53.574 27.805 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 82.419 53.102 28.488 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 83.676 53.043 27.647 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 80.466 67.159 8.457 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 79.762 66.618 8.814 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 81.265 66.799 8.841 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 51.626 77.855 -6.685 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 51.497 78.802 -6.629 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 51.612 77.666 -7.624 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 40.290 65.066 50.592 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 39.811 65.119 51.419 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 41.047 65.639 50.715 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 59.323 79.867 54.072 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 58.945 79.931 53.195 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 59.546 80.768 54.304 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 47.191 81.910 48.015 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 47.381 81.476 48.847 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 46.250 82.086 48.046 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 74.132 87.864 45.508 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 74.993 87.469 45.646 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 74.174 88.700 45.971 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 25.320 71.716 37.955 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 25.887 72.424 37.650 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 25.214 71.148 37.192 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 89.609 32.339 22.346 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 90.280 32.248 21.670 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 89.925 33.048 22.905 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 77.553 3.830 -9.270 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 76.799 4.418 -9.320 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 77.198 2.966 -9.477 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 29.642 78.875 22.897 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 29.668 78.763 23.847 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 29.015 79.584 22.756 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 61.153 53.182 -16.170 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 61.843 53.411 -15.548 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 60.530 53.907 -16.114 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 59.020 22.875 14.599 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 59.141 22.148 13.989 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 58.084 22.867 14.799 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 54.899 78.687 35.968 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 55.747 78.307 35.740 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 54.257 78.095 35.576 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 75.420 59.621 14.229 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 74.590 59.602 14.706 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 75.661 58.700 14.130 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 28.836 27.599 10.845 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 29.643 27.689 11.352 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 28.215 27.196 11.452 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 79.369 28.537 15.675 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 79.695 28.680 16.564 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 78.426 28.410 15.784 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 43.870 17.459 42.541 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 43.903 16.764 41.884 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 44.412 18.159 42.177 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 87.159 93.099 23.522 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 86.820 92.398 22.965 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 86.400 93.395 24.024 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 74.879 78.678 -3.568 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 75.378 77.978 -3.989 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 75.140 78.638 -2.648 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 68.050 22.865 8.703 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 67.246 23.177 8.289 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 68.035 23.252 9.578 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 76.467 84.570 54.929 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 76.428 83.639 54.707 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 75.676 84.942 54.539 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 66.850 5.292 -9.109 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 65.923 5.448 -9.292 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 67.233 6.167 -9.047 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 53.614 19.848 13.131 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 52.678 19.722 13.290 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 53.938 20.265 13.929 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 54.205 17.319 12.531 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 54.815 17.306 11.794 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 53.976 18.242 12.637 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 68.833 95.249 54.072 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 69.164 96.082 53.735 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 69.492 94.968 54.707 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 24.678 94.889 60.953 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 24.160 94.960 61.755 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 24.297 95.538 60.362 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 48.406 90.590 4.421 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 47.884 91.090 5.048 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 48.649 89.793 4.892 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 72.550 89.514 23.791 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 72.822 89.987 23.004 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 73.030 88.688 23.752 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 38.486 21.508 5.699 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 38.096 21.175 6.507 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 39.324 21.880 5.972 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 43.427 13.681 19.136 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 42.521 13.562 18.851 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 43.738 14.437 18.637 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 57.281 39.437 -8.350 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 56.852 40.277 -8.510 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 58.215 39.644 -8.333 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 47.109 20.397 39.084 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 47.604 21.053 39.574 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 46.828 20.851 38.290 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 39.281 53.561 46.127 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 39.479 54.370 46.599 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 40.024 53.440 45.536 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 83.880 4.083 54.283 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 83.654 5.003 54.424 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 84.513 3.883 54.973 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 25.895 71.072 15.303 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 26.793 70.834 15.072 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 25.520 70.269 15.665 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 45.042 95.368 -19.460 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 44.428 96.077 -19.652 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 44.972 95.241 -18.514 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 39.515 13.989 34.134 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 39.655 13.283 33.503 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 40.273 14.563 34.023 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 86.642 86.413 51.843 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 87.163 87.215 51.794 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 85.738 86.708 51.729 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 55.613 4.390 8.610 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 54.971 4.407 9.320 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 55.698 5.305 8.342 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 75.609 19.558 46.099 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 75.113 18.839 45.708 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 74.941 20.172 46.404 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 86.989 17.266 58.401 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 86.746 16.617 59.062 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 87.029 18.093 58.881 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 52.819 93.687 2.494 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 52.848 92.759 2.728 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 52.753 94.144 3.333 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 67.656 22.166 54.308 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 68.008 23.049 54.193 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 68.339 21.589 53.966 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 35.955 65.844 -6.398 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 35.061 66.069 -6.656 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 36.474 65.974 -7.191 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 89.756 82.008 -9.531 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 89.744 81.784 -8.601 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 90.263 81.308 -9.941 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 22.868 68.197 53.011 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 22.454 67.735 53.740 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 22.141 68.442 52.439 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 30.998 43.681 29.561 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 31.841 43.872 29.971 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 31.142 43.843 28.629 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 59.983 18.947 -0.022 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 59.079 18.774 -0.283 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 60.491 18.834 -0.825 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 55.830 53.900 -3.370 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 54.936 54.188 -3.552 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 56.052 54.320 -2.539 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 70.678 15.446 5.857 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 70.117 16.098 5.437 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 70.785 14.760 5.198 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 29.069 13.625 61.785 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 28.770 13.109 62.533 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 28.507 14.400 61.789 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 45.389 83.721 16.011 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 44.958 82.966 15.611 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 45.436 84.370 15.310 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 80.912 2.553 55.847 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 81.835 2.564 56.102 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 80.525 3.290 56.319 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 50.433 60.874 52.946 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 50.192 60.132 52.390 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 51.265 61.182 52.587 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 66.621 0.434 -15.315 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 66.388 1.251 -14.873 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 66.645 -0.219 -14.616 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 31.576 4.941 46.288 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 32.244 4.943 45.603 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 31.371 4.015 46.420 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 89.329 33.855 11.977 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 89.433 34.385 11.186 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 88.435 34.034 12.270 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 42.370 53.765 53.429 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 43.250 53.882 53.786 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 41.881 54.526 53.741 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 85.430 52.806 35.459 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 85.049 53.308 36.180 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 85.257 53.336 34.681 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 79.260 84.688 44.635 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 79.819 84.350 43.935 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 78.992 85.555 44.330 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 60.550 13.372 -9.173 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 60.666 14.311 -9.313 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 61.418 12.998 -9.326 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 28.828 10.986 46.371 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 29.375 11.703 46.050 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 28.156 11.416 46.901 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 31.041 77.473 2.960 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 30.539 76.665 3.062 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 30.566 77.968 2.293 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 64.376 84.445 54.074 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 65.009 84.188 54.745 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 64.908 84.626 53.299 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 43.264 90.974 56.873 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 42.526 90.829 56.281 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 42.882 91.421 57.628 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 36.061 22.383 33.558 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 35.776 23.297 33.546 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 36.817 22.360 32.971 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 76.267 44.506 1.995 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 76.814 45.139 2.460 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 75.616 45.040 1.540 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 25.890 11.488 11.354 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 25.800 11.677 10.420 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 25.769 12.335 11.783 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 24.323 89.742 43.635 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 23.810 90.273 43.025 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 24.804 89.132 43.076 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 51.640 18.902 1.726 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 51.071 19.531 1.283 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 51.696 18.162 1.122 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 27.387 78.817 57.282 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 27.174 79.638 57.726 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 27.242 79.001 56.354 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 24.678 72.117 0.233 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 23.865 71.860 -0.203 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 24.495 72.004 1.166 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 65.985 27.246 29.202 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 66.561 27.324 28.442 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 65.223 26.766 28.877 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 46.573 0.673 -14.150 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 45.906 1.228 -13.745 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 46.293 -0.221 -13.954 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 50.981 17.829 42.389 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 51.109 16.932 42.697 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 50.031 17.941 42.364 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 40.151 22.049 49.182 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 40.807 21.984 48.488 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 39.460 22.596 48.808 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 28.638 92.640 31.740 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 28.926 93.445 31.308 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 29.428 92.296 32.157 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 65.502 2.879 -1.364 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 65.849 3.460 -0.687 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 65.992 3.110 -2.153 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 27.287 19.215 11.033 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 26.352 19.225 11.238 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 27.720 19.176 11.886 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 43.845 91.312 -8.415 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 42.982 91.676 -8.220 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 44.007 90.685 -7.710 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 48.190 86.242 0.925 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 48.435 85.410 1.331 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 48.768 86.887 1.332 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 24.662 39.334 17.048 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 25.523 39.741 17.145 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 24.423 39.492 16.134 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 31.501 17.918 14.832 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 31.627 17.698 15.755 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 32.238 18.491 14.619 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 52.646 25.546 59.382 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 52.166 26.023 58.705 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 53.423 26.080 59.546 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 41.606 92.223 -4.072 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 40.852 92.750 -3.807 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 42.208 92.275 -3.331 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 34.968 18.248 0.870 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 34.467 17.449 1.032 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 34.323 18.871 0.534 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 82.576 63.471 -12.296 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 82.552 63.241 -13.224 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 83.328 62.991 -11.949 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 28.234 73.568 7.688 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 29.145 73.839 7.802 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 27.925 73.387 8.575 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 62.730 30.862 18.675 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 62.279 30.303 18.043 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 62.052 31.108 19.305 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 49.780 83.715 -6.439 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 49.973 82.963 -5.879 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 49.882 83.382 -7.331 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 39.835 65.114 38.785 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 40.417 65.700 39.269 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 39.052 65.638 38.617 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 48.234 50.567 -10.209 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 47.539 50.966 -9.685 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 48.527 51.267 -10.792 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 37.940 20.661 13.944 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 38.213 19.748 13.853 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 38.597 21.052 14.520 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 59.209 18.620 60.529 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 58.615 18.837 59.811 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 58.898 19.147 61.266 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 89.937 59.866 -11.434 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 90.178 58.951 -11.293 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 90.750 60.353 -11.300 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 32.461 54.262 59.788 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 31.872 53.843 60.415 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 31.881 54.611 59.111 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 52.654 91.215 -1.523 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 52.743 90.273 -1.372 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 52.622 91.303 -2.476 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 48.893 72.672 -15.429 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 49.800 72.916 -15.243 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 48.624 72.153 -14.671 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 46.794 17.764 28.310 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 46.303 17.414 27.568 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 47.592 18.124 27.922 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 69.387 50.170 -15.852 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 70.219 49.755 -15.621 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 68.727 49.500 -15.675 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 67.046 28.145 15.557 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 66.946 29.046 15.864 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 66.996 27.614 16.352 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 55.238 32.061 -6.746 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 54.923 32.062 -5.842 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 56.187 31.966 -6.670 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 45.754 82.892 52.648 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 46.349 82.157 52.500 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 44.881 82.526 52.509 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 21.877 37.311 19.963 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 21.850 38.144 19.492 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 20.973 36.996 19.945 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 89.522 74.995 44.468 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 89.062 75.798 44.715 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 88.837 74.424 44.119 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 44.957 33.821 -14.256 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 45.857 33.900 -13.941 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 44.430 34.263 -13.590 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 22.893 5.166 62.456 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 22.570 4.286 62.651 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 23.765 5.026 62.087 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 53.242 30.296 1.636 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 52.985 31.116 2.058 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 52.552 29.677 1.875 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 71.985 37.210 50.762 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 72.259 36.784 49.949 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 72.601 37.935 50.872 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 54.474 83.112 33.218 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 54.671 82.811 32.331 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 53.564 82.851 33.363 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 56.461 1.033 54.620 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 57.416 0.987 54.581 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 56.162 0.349 54.021 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 86.446 40.614 34.042 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 87.259 40.775 33.564 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 86.141 39.766 33.720 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 68.475 10.882 0.961 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 68.102 11.707 0.651 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 68.053 10.731 1.807 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 51.055 16.927 32.854 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 51.954 17.254 32.887 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 50.832 16.930 31.924 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 63.959 44.983 -3.389 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 63.354 45.624 -3.015 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 64.790 45.148 -2.944 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 21.082 43.368 53.425 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 20.737 44.216 53.147 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 22.004 43.388 53.172 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 35.245 60.568 4.556 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 34.620 60.981 5.151 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 36.013 60.391 5.100 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 50.076 13.332 61.752 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 49.917 12.697 62.450 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 50.495 14.072 62.192 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 38.719 94.175 -18.142 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 39.370 93.588 -18.527 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 38.080 94.316 -18.841 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 34.924 33.756 21.583 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 35.466 34.535 21.703 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 35.368 33.074 22.087 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 43.411 62.196 8.341 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 44.185 62.645 8.002 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 43.515 62.222 9.292 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 78.200 37.781 48.997 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 78.399 37.575 48.084 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 78.490 38.686 49.108 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 78.790 29.084 33.935 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 77.924 28.916 34.306 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 78.668 29.853 33.379 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 35.693 22.769 42.817 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 36.315 23.335 43.273 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 35.777 21.920 43.252 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 31.528 17.665 28.562 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 31.808 17.980 29.422 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 30.593 17.865 28.526 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 81.055 75.751 32.524 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 80.813 75.525 33.422 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 80.593 76.572 32.351 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 63.391 26.589 55.289 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 62.890 26.480 56.097 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 62.728 26.719 54.611 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 34.878 72.053 24.319 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 35.508 71.436 24.690 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 34.706 71.721 23.438 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 22.619 75.302 34.570 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 23.345 75.551 33.997 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 23.042 74.960 35.358 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 65.224 44.030 -17.751 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 64.770 43.471 -17.119 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 65.545 44.767 -17.231 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 43.380 87.622 12.451 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 44.294 87.738 12.192 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 43.427 87.233 13.325 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 87.082 22.226 9.544 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 87.707 22.680 8.979 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 86.579 22.928 9.958 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 75.082 8.059 61.952 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 75.055 7.421 61.240 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 74.232 7.972 62.384 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 34.687 14.381 0.902 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 33.918 14.571 0.364 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 35.430 14.502 0.311 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 49.364 67.538 -10.027 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 50.142 68.091 -9.954 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 48.792 68.008 -10.635 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 36.856 30.574 28.213 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 37.682 31.026 28.040 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 36.621 30.838 29.103 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 35.285 95.513 29.103 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 35.678 96.190 29.654 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 36.017 95.163 28.595 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 78.068 52.412 -5.480 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 78.303 53.022 -4.780 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 78.201 51.545 -5.098 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 80.820 96.040 3.439 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 81.604 96.291 2.949 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 80.556 95.204 3.056 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 45.186 23.637 30.895 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 45.981 23.183 30.616 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 44.580 23.531 30.162 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 50.378 41.136 27.166 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 50.282 40.294 26.720 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 50.710 41.728 26.492 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 31.852 31.904 6.044 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 30.985 31.989 6.440 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 31.679 31.638 5.141 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 22.277 13.026 42.167 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 22.634 13.849 41.834 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 22.337 13.105 43.119 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 29.935 8.407 59.248 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 30.205 9.306 59.437 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 30.539 8.114 58.565 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 88.379 55.652 1.105 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 87.798 56.010 1.777 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 88.641 56.411 0.585 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 35.905 12.314 66.357 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 36.514 11.591 66.505 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 35.132 11.902 65.972 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 59.714 11.132 -10.893 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 58.763 11.085 -10.797 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 59.962 11.934 -10.434 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 80.506 46.490 49.680 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 79.612 46.544 49.341 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 80.584 47.239 50.272 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 39.037 47.254 42.998 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 38.974 46.851 43.864 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 39.199 46.522 42.404 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 55.014 1.908 -8.234 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 54.402 1.285 -8.625 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 54.927 1.771 -7.291 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 31.791 24.828 18.211 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 31.904 25.728 18.518 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 32.479 24.334 18.656 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 25.475 44.230 -19.116 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 25.659 44.004 -18.204 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 24.896 43.532 -19.424 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 86.326 68.568 31.767 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 86.626 69.333 32.258 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 86.617 67.819 32.288 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 69.293 23.497 -15.482 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 69.444 22.647 -15.068 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 68.929 23.284 -16.341 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 69.257 46.055 51.724 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 69.108 46.929 51.361 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 68.988 46.127 52.640 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 76.408 30.993 -18.276 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 76.201 31.724 -18.859 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 77.310 31.155 -17.999 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 23.072 13.047 -17.046 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 22.278 12.514 -17.015 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 22.943 13.626 -17.797 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 20.556 48.995 21.596 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 20.658 49.887 21.927 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 21.321 48.526 21.930 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 40.231 3.268 14.745 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 40.337 4.156 14.404 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 39.284 3.154 14.827 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 31.232 18.554 7.043 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 31.434 17.863 7.674 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 32.042 19.057 6.969 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 59.736 14.545 38.637 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 59.607 14.456 37.693 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 59.486 15.448 38.830 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 63.459 58.548 27.347 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 62.781 58.025 27.775 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 63.023 59.370 27.123 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 88.298 48.713 10.167 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 88.414 48.383 11.058 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 88.701 48.046 9.610 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 51.165 76.196 25.427 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 52.003 76.008 25.006 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 50.508 75.924 24.786 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 50.517 45.714 47.540 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 50.759 46.640 47.517 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 51.326 45.250 47.323 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 53.882 74.959 -9.231 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 53.772 75.896 -9.391 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 53.000 74.596 -9.316 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 35.431 42.138 -11.191 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 34.583 42.443 -11.515 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 35.267 41.901 -10.278 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 81.606 7.838 -14.395 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 81.744 6.962 -14.756 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 82.452 8.274 -14.492 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 72.807 4.179 -14.815 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 72.855 4.720 -14.027 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 72.149 4.609 -15.362 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 51.817 34.124 8.869 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 51.205 33.422 9.090 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 51.704 34.769 9.568 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 20.910 2.074 59.873 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 21.130 2.977 59.643 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 21.757 1.641 59.984 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 83.044 87.580 44.604 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 82.342 87.821 45.208 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 82.945 88.183 43.867 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 84.937 76.093 0.639 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 85.806 76.026 0.242 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 84.397 76.505 -0.035 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 56.525 17.468 -11.125 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 57.028 18.133 -10.656 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 55.616 17.758 -11.053 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 44.424 42.840 25.423 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 44.820 43.589 25.869 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 45.066 42.588 24.759 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 75.055 46.388 49.822 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 75.590 47.179 49.902 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 74.153 46.708 49.829 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 42.608 46.841 7.497 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 42.812 47.776 7.530 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 42.586 46.568 8.414 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 41.213 59.584 -15.351 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 41.403 60.460 -15.685 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 40.790 59.134 -16.083 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 44.326 43.387 -1.656 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 45.143 43.580 -2.117 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 44.405 43.852 -0.823 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 45.851 46.264 51.184 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 45.843 47.034 50.615 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 45.250 45.648 50.765 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 51.698 68.904 52.110 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 51.318 69.777 52.019 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 52.556 68.971 51.690 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 26.273 89.108 3.374 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 26.452 89.532 4.214 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 26.627 88.224 3.471 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 66.404 95.519 2.127 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 65.966 96.098 1.502 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 66.913 96.109 2.684 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 32.637 33.164 63.037 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 33.250 33.513 63.684 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 31.775 33.441 63.348 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 83.534 87.717 38.159 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 83.908 88.402 37.605 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 82.963 87.219 37.573 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 44.596 9.636 37.377 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 44.316 10.111 36.595 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 45.472 9.317 37.163 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 70.493 17.846 13.148 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 69.571 17.600 13.217 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 70.825 17.330 12.413 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 50.359 58.835 -2.828 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 50.289 57.978 -2.407 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 50.329 59.461 -2.104 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 71.968 67.577 35.092 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 71.404 67.368 34.348 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 71.522 67.192 35.847 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 70.123 55.613 10.498 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 69.527 55.044 10.984 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 70.248 56.372 11.067 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 28.992 67.278 22.427 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 28.372 67.022 23.111 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 29.513 66.491 22.269 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 23.993 70.885 44.306 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 24.529 70.344 43.726 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 24.587 71.569 44.613 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 79.811 43.159 14.397 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 79.144 43.268 13.719 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 80.454 42.566 14.007 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 54.080 5.036 -5.530 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 53.482 4.912 -6.267 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 54.327 5.960 -5.575 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 89.076 33.532 54.863 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 89.594 33.896 55.581 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 89.678 32.945 54.407 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 79.315 11.667 1.142 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 78.374 11.495 1.194 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 79.502 12.212 1.906 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 46.794 53.480 62.067 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 46.772 52.765 62.704 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 46.472 54.241 62.550 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 69.693 14.472 10.175 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 70.165 13.715 9.827 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 69.359 14.924 9.400 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 44.861 8.949 8.625 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 45.364 8.135 8.620 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 44.006 8.704 8.270 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 59.885 92.339 50.358 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 59.524 91.618 50.873 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 59.139 92.916 50.195 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 62.730 54.468 35.140 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 62.058 53.829 34.901 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 62.429 55.289 34.752 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 67.655 38.314 -4.062 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 67.548 39.196 -4.417 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 68.013 38.451 -3.185 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 47.252 78.277 41.431 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 46.842 78.096 42.277 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 46.534 78.583 40.877 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 53.587 10.266 -6.498 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 53.634 10.258 -7.454 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 52.740 9.868 -6.296 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 72.370 67.216 55.557 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 72.120 67.363 54.645 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 71.653 67.593 56.067 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 63.172 60.759 53.476 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 63.873 60.720 52.825 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 62.585 61.444 53.157 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 69.596 27.130 11.592 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 69.670 28.070 11.759 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 70.412 26.761 11.932 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 26.993 16.531 1.891 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 27.846 16.708 2.289 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 27.196 16.031 1.101 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 48.894 59.046 -12.792 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 49.384 59.850 -12.616 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 48.659 58.713 -11.925 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 76.654 39.921 47.188 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 77.382 40.471 47.477 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 76.993 39.455 46.425 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 60.982 47.079 6.960 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 60.461 46.602 7.606 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 61.532 47.665 7.480 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 47.198 44.616 59.106 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 47.228 45.452 59.572 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 46.502 44.124 59.540 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 75.859 40.284 -11.446 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 75.270 40.688 -10.808 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 76.350 39.636 -10.943 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 33.604 74.581 34.297 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 34.185 75.328 34.155 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 34.167 73.909 34.683 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 30.016 19.945 -4.732 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 30.634 20.253 -5.395 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 30.436 19.172 -4.354 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 51.930 18.492 50.948 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 51.441 18.792 50.182 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 51.266 18.377 51.628 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 24.765 41.691 23.081 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 25.038 42.526 22.701 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 24.830 41.825 24.026 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 46.122 39.304 41.033 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 46.282 39.725 40.188 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 45.403 39.805 41.418 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 68.417 22.014 1.041 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 68.168 22.778 0.521 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 68.871 21.441 0.423 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 50.498 38.533 31.381 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 50.664 38.614 30.441 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 49.670 38.056 31.437 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 51.584 68.344 66.002 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 51.476 67.574 66.560 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 50.691 68.650 65.841 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 32.971 23.723 32.111 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 33.499 24.086 32.822 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 32.933 24.422 31.459 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 47.243 92.995 9.285 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 47.644 93.845 9.108 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 47.348 92.872 10.229 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 63.376 35.267 63.442 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 63.513 35.753 64.255 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 64.166 35.432 62.927 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 33.276 31.649 -8.156 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 33.806 31.216 -8.825 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 33.788 32.418 -7.904 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 27.073 95.460 26.804 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 27.991 95.368 27.060 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 26.592 95.463 27.632 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 66.844 93.702 16.040 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 67.531 93.090 15.779 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 66.354 93.871 15.235 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 24.386 76.976 65.716 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 24.795 77.782 65.400 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 25.065 76.553 66.242 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 60.805 32.218 -13.223 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 60.921 33.118 -12.918 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 59.859 32.075 -13.195 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 66.162 65.985 24.184 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 65.320 65.665 24.507 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 65.941 66.502 23.409 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 85.158 46.923 2.726 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 84.709 46.280 3.274 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 85.572 47.521 3.348 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 79.955 57.808 36.972 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 80.113 57.986 36.044 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 79.151 58.286 37.174 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 35.770 51.605 24.568 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 36.521 51.365 24.025 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 36.129 51.680 25.453 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 76.594 24.587 53.620 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 76.972 24.935 52.813 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 76.214 23.746 53.365 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 24.270 53.337 28.019 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 24.805 53.708 27.318 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 24.840 52.696 28.442 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 49.690 0.898 27.428 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 48.813 1.096 27.757 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 50.108 1.753 27.329 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 87.410 52.363 -10.994 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 87.823 51.525 -11.203 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 87.259 52.775 -11.844 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 69.999 13.577 51.609 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 69.280 12.981 51.820 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 69.594 14.265 51.081 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 71.213 52.122 -0.412 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 70.963 52.919 0.055 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 70.623 51.449 -0.071 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 37.484 15.067 -14.062 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 38.196 14.671 -14.565 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 37.086 14.335 -13.592 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 54.853 21.401 22.166 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 54.828 22.343 22.329 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 54.425 21.293 21.316 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 72.325 63.840 38.032 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 71.465 63.568 38.350 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 72.431 64.733 38.360 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 52.011 12.128 66.218 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 52.483 11.337 65.958 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 51.723 11.952 67.113 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 43.494 92.645 -15.912 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 44.000 91.839 -16.010 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 43.378 92.742 -14.966 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 45.573 22.084 0.693 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 45.752 21.311 1.228 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 45.697 22.822 1.291 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 25.368 10.159 54.435 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 25.849 9.422 54.058 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 25.997 10.880 54.438 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 53.370 58.689 -16.125 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 53.890 59.155 -16.779 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 53.246 59.325 -15.420 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 39.152 40.755 64.826 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 38.365 40.471 64.361 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 39.620 39.944 65.024 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 87.773 20.409 40.939 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 87.487 20.883 40.159 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 87.911 19.511 40.637 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 43.263 95.174 39.204 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 42.522 94.857 39.720 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 43.378 94.517 38.519 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 54.810 33.045 49.299 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 55.275 32.487 48.676 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 54.280 33.625 48.752 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 22.878 53.815 -16.595 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 22.244 54.453 -16.268 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 22.344 53.092 -16.924 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 84.238 31.121 -19.192 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 84.209 31.392 -18.274 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 83.343 30.846 -19.390 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 76.385 73.463 -8.274 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 76.684 73.082 -9.100 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 75.840 72.782 -7.880 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 74.378 36.686 52.901 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 74.870 36.000 53.351 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 74.777 36.738 52.033 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 78.233 66.144 9.620 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 78.036 66.416 10.516 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 78.610 65.269 9.713 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 31.278 62.793 33.002 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 31.324 63.576 33.551 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 32.108 62.786 32.525 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 25.186 25.220 49.864 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 24.787 26.034 49.557 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 24.805 25.077 50.730 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 23.640 47.392 -17.357 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 24.184 47.370 -16.570 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 24.227 47.702 -18.047 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 89.258 65.695 11.270 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 89.927 65.937 10.629 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 88.453 66.090 10.937 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 27.225 13.238 59.026 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 27.582 12.783 59.789 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 27.899 13.876 58.791 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 82.577 8.201 59.738 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 82.521 8.974 60.300 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 81.961 8.377 59.027 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 40.752 22.757 6.213 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 40.678 22.966 7.144 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 41.691 22.790 6.033 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 47.135 18.232 64.468 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 47.818 17.706 64.885 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 47.545 19.084 64.319 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 64.535 69.212 -10.012 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 64.581 68.456 -9.425 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 64.633 69.969 -9.435 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 41.465 32.594 37.794 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 42.143 33.212 38.069 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 40.721 33.145 37.553 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 20.285 24.719 6.239 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 20.228 25.637 6.505 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 21.222 24.524 6.253 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 34.526 45.680 -9.730 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 33.685 45.602 -9.278 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 34.454 45.082 -10.474 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 82.281 52.057 10.388 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 81.832 51.212 10.406 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 81.638 52.678 10.729 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 78.684 67.092 -5.666 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 78.924 66.392 -5.058 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 79.153 67.861 -5.344 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 53.556 69.831 12.442 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 54.370 70.216 12.767 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 53.000 69.757 13.217 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 88.535 12.722 -4.576 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 89.214 12.419 -5.178 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 87.732 12.713 -5.096 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 27.096 63.867 39.621 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 26.230 63.681 39.257 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 27.664 63.195 39.246 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 36.556 27.366 -5.701 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 36.861 26.511 -6.006 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 36.953 27.467 -4.836 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 56.515 70.992 43.123 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 56.777 70.144 43.481 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 56.369 70.825 42.192 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 80.474 58.614 34.481 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 80.261 59.520 34.705 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 80.693 58.642 33.550 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 36.158 35.108 37.353 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 36.497 35.573 38.117 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 36.424 35.645 36.607 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 78.775 72.192 -18.852 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 78.168 71.458 -18.757 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 79.399 71.902 -19.517 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 28.031 27.662 66.799 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 27.267 27.090 66.722 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 28.017 28.189 66.000 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 46.665 37.098 23.104 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 47.054 37.424 22.292 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 47.412 36.813 23.630 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 68.065 17.750 -17.630 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 68.768 17.938 -17.008 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 68.465 17.876 -18.490 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 33.039 51.930 55.340 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 32.610 52.778 55.217 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 32.867 51.455 54.527 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 86.322 53.316 8.059 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 87.001 53.862 8.455 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 86.539 52.426 8.335 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 59.880 60.845 23.148 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 59.518 61.594 22.674 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 59.221 60.640 23.811 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 78.374 94.881 45.804 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 78.372 94.413 44.969 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 77.490 95.240 45.880 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 73.046 17.471 63.980 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 72.555 17.653 63.179 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 72.379 17.426 64.666 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 84.621 79.179 54.386 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 83.831 79.400 54.880 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 84.730 79.904 53.771 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 31.711 9.652 12.617 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 30.976 9.916 12.064 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 32.034 10.470 12.994 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 64.564 31.810 -5.237 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 65.304 31.655 -4.651 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 63.913 32.250 -4.691 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 51.416 29.044 11.751 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 51.613 28.492 10.994 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 51.188 29.894 11.376 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 48.015 39.800 25.403 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 48.437 39.822 24.544 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 48.068 38.883 25.673 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 81.518 27.574 7.017 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 81.822 26.958 6.350 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 81.799 28.431 6.697 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 77.170 69.676 57.849 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 77.405 69.982 56.973 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 76.230 69.846 57.919 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 81.721 35.350 -1.241 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 81.403 36.011 -0.626 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 80.956 34.805 -1.424 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 79.160 37.514 10.381 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 79.157 38.436 10.126 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 78.246 37.240 10.301 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 49.606 26.389 -10.657 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 48.953 25.690 -10.657 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 50.377 25.998 -10.246 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 50.521 51.404 55.654 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 50.566 52.359 55.600 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 50.568 51.110 54.745 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 78.877 89.659 42.349 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 78.371 90.143 43.001 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 79.743 90.066 42.366 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 20.811 23.976 -18.496 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 21.433 24.697 -18.591 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 20.013 24.289 -18.922 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 39.486 44.286 -7.780 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 39.240 45.168 -8.061 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 38.656 43.812 -7.723 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 23.795 29.236 11.289 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 23.744 29.897 11.980 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 24.647 29.385 10.878 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 26.225 27.571 1.033 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 26.241 26.800 0.465 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 26.226 28.313 0.429 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 56.105 58.660 22.834 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 55.418 59.266 23.112 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 56.172 58.791 21.888 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 27.818 53.444 9.198 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 26.912 53.684 9.002 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 28.166 54.194 9.681 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 82.686 18.348 -7.065 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 82.163 18.524 -7.847 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 83.503 17.977 -7.401 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 24.959 23.150 6.665 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 25.144 23.177 7.604 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 25.794 22.910 6.263 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 76.333 94.887 11.561 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 76.408 94.437 10.720 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 76.855 94.357 12.164 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 76.198 49.960 66.369 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 75.900 50.865 66.279 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 76.532 49.905 67.264 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 43.713 53.648 20.899 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 43.086 53.833 20.200 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 43.637 54.393 21.494 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 42.424 42.686 40.437 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 41.816 42.884 41.149 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 41.880 42.276 39.765 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 87.479 21.449 49.097 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 87.677 21.306 50.022 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 86.787 20.817 48.899 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 64.128 30.887 43.786 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 63.246 30.735 44.125 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 64.237 31.837 43.817 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 47.362 77.947 9.889 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 47.158 77.615 9.015 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 47.491 77.161 10.420 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 32.412 56.573 56.083 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 32.038 55.694 56.147 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 33.127 56.577 56.719 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 44.293 18.930 -0.392 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 45.194 18.705 -0.156 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 44.382 19.622 -1.047 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 37.033 80.723 -9.176 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 37.759 80.137 -9.389 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 37.324 81.193 -8.394 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 37.859 4.400 -19.606 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 38.777 4.138 -19.531 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 37.813 5.246 -19.161 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 30.218 13.289 48.832 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 30.862 12.832 48.291 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 29.935 14.029 48.296 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 54.879 60.214 -17.710 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 55.687 59.702 -17.749 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 55.173 61.124 -17.674 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 21.690 67.082 61.502 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 21.628 66.133 61.611 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 20.805 67.354 61.258 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 35.742 39.699 3.716 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 36.176 39.501 4.545 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 35.031 40.295 3.953 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 82.992 45.342 -9.628 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 82.383 45.116 -10.331 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 82.436 45.477 -8.861 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 27.350 69.365 12.269 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 28.060 68.872 11.858 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 27.629 69.476 13.178 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 44.648 52.536 23.346 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 43.815 52.745 23.768 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 45.214 52.249 24.062 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 74.284 11.436 66.151 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 74.230 11.850 67.012 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 73.726 10.661 66.222 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 69.919 90.742 47.987 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 69.154 90.193 47.815 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 70.647 90.124 48.055 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 80.736 85.635 34.429 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 80.427 86.474 34.087 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 80.624 85.023 33.701 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 84.453 37.447 -2.996 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 85.098 37.924 -2.474 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 84.610 36.526 -2.788 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 49.673 14.190 -0.362 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 50.338 14.864 -0.218 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 49.071 14.579 -0.997 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 22.633 48.967 27.822 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 22.035 48.756 27.104 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 22.150 49.597 28.358 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 50.882 39.553 10.923 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 50.577 40.434 11.142 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 50.501 38.993 11.598 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 34.834 45.270 43.188 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 34.027 45.077 43.665 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 35.125 46.112 43.539 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 63.806 19.652 35.705 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 64.600 19.425 35.222 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 63.951 20.552 35.997 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 89.783 12.465 61.986 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 90.561 12.058 61.604 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 89.938 12.439 62.930 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 42.891 70.229 13.899 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 42.698 69.676 14.656 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 43.615 69.786 13.456 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 68.805 81.920 -16.005 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 69.499 82.434 -16.417 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 69.189 81.052 -15.881 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 67.851 62.717 15.489 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 67.099 63.302 15.402 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 67.479 61.837 15.424 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 67.736 8.679 -6.227 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 68.548 8.629 -5.722 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 67.481 9.600 -6.180 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 69.185 69.190 16.135 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 68.735 68.355 16.259 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 69.331 69.246 15.190 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 61.257 74.449 25.587 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 60.685 74.101 24.903 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 61.327 73.739 26.226 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 29.600 18.551 45.741 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 29.150 19.265 46.193 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 29.897 18.938 44.917 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 54.055 87.920 22.276 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 54.379 87.687 21.406 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 54.630 87.450 22.880 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 54.428 21.801 18.767 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 54.261 22.293 19.571 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 53.821 22.173 18.127 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 47.991 52.307 39.408 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 48.315 51.947 38.583 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 48.297 53.214 39.412 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 47.799 19.195 58.613 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 47.742 19.831 57.900 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 47.800 18.344 58.176 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 74.468 14.637 66.559 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 75.341 14.256 66.649 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 74.335 14.715 65.615 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 60.507 60.905 -7.412 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 59.551 60.960 -7.408 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 60.717 60.312 -6.691 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 53.031 9.861 2.046 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 53.552 9.603 2.806 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 52.130 9.883 2.369 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 79.859 79.902 -17.522 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 80.745 79.960 -17.165 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 79.398 80.650 -17.143 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 89.354 28.261 0.736 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 90.096 27.710 0.982 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 88.990 28.559 1.570 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 58.306 44.709 53.846 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 58.306 44.354 52.958 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 57.450 44.470 54.201 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 42.259 94.043 -10.014 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 43.008 93.855 -9.447 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 42.484 94.868 -10.444 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 32.894 45.789 51.563 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 32.131 46.367 51.530 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 33.557 46.237 51.039 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 40.625 24.569 27.788 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 40.608 25.507 27.601 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 40.587 24.151 26.928 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 23.671 25.967 23.795 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 23.846 26.401 22.960 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 24.091 25.111 23.713 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 43.560 42.194 -15.884 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 44.398 42.582 -15.632 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 42.923 42.591 -15.289 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 36.141 17.275 11.035 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 35.823 16.376 10.955 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 37.004 17.189 11.440 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 89.731 78.430 53.223 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 89.297 77.589 53.081 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 90.620 78.199 53.494 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 83.636 29.937 14.159 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 82.778 29.628 13.869 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 83.609 29.858 15.112 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 45.283 62.977 -8.060 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 45.781 63.555 -7.482 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 44.982 62.269 -7.491 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 22.601 6.761 51.619 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 22.031 6.704 50.851 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 22.451 5.941 52.090 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 32.477 51.024 52.601 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 33.011 50.258 52.392 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 31.581 50.755 52.397 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 30.328 31.598 58.192 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 29.933 32.333 57.723 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 29.725 30.869 58.048 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 22.009 82.920 12.838 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 22.216 82.146 13.361 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 22.837 83.396 12.777 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 49.453 77.872 65.444 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 50.174 78.451 65.196 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 49.639 77.632 66.351 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 84.493 12.302 48.791 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 85.181 12.851 49.166 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 83.869 12.176 49.506 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 29.983 12.276 7.180 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 30.373 13.037 7.611 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 30.424 11.525 7.576 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 88.279 10.955 4.186 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 88.217 11.357 5.053 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 88.364 11.693 3.584 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 51.203 64.793 10.850 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 51.695 64.089 11.271 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 51.873 65.402 10.540 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 51.472 36.203 11.033 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 51.375 37.064 11.440 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 51.123 35.591 11.681 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 38.972 16.619 58.797 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 38.645 16.901 57.943 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 38.337 15.968 59.095 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 87.407 13.135 6.839 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 88.197 12.979 7.356 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 86.803 12.442 7.108 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 49.959 45.668 37.712 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 50.204 45.623 36.788 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 50.442 46.421 38.052 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 63.476 36.117 -16.370 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 62.875 35.489 -16.771 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 63.418 35.939 -15.431 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 50.879 39.874 -0.273 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 50.394 40.464 -0.850 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 51.357 40.456 0.318 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 83.003 78.921 59.022 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 83.912 78.665 58.863 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 82.609 78.961 58.150 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 79.222 32.284 63.504 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 79.324 32.896 64.234 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 80.027 32.383 62.995 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 38.740 6.021 -10.462 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 39.312 6.759 -10.674 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 37.989 6.125 -11.046 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 89.380 34.389 -9.750 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 90.178 33.916 -9.512 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 89.639 35.310 -9.752 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 67.168 3.141 5.639 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 67.375 3.006 6.564 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 67.056 4.088 5.554 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 26.999 14.941 44.915 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 26.892 15.892 44.909 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 27.547 14.766 45.680 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 43.668 25.971 62.936 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 44.442 26.464 63.209 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 43.116 25.941 63.717 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 85.160 87.853 5.872 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 85.383 86.927 5.973 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 84.204 87.868 5.845 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 67.366 34.326 -6.825 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 66.904 34.629 -6.044 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 67.019 34.866 -7.535 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 80.916 82.515 15.966 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 81.368 81.986 16.622 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 81.138 82.104 15.131 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 70.155 7.120 20.758 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 69.549 7.015 20.024 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 70.941 7.503 20.368 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 46.213 18.072 34.326 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 47.084 18.300 34.000 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 45.634 18.200 33.575 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 43.480 61.344 15.110 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 44.339 61.561 14.747 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 43.008 62.177 15.123 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 66.927 62.589 50.168 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 66.169 62.801 49.625 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 67.533 62.148 49.573 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 45.329 70.105 1.108 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 45.866 69.476 1.590 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 44.474 70.068 1.537 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 32.027 88.081 38.857 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 31.147 88.103 38.481 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 32.439 87.316 38.456 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 90.484 45.091 34.993 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 89.750 44.555 34.693 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 90.477 45.852 34.413 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 33.250 33.227 49.882 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 34.142 33.328 50.216 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 33.077 32.288 49.940 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 74.638 50.174 -6.808 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 73.786 49.741 -6.872 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 74.528 50.818 -6.109 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 42.848 5.580 -5.605 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 43.624 6.068 -5.326 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 43.196 4.839 -6.101 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 48.330 61.861 7.240 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 48.870 62.397 6.659 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 48.751 61.936 8.096 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 25.348 36.998 66.622 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 26.283 37.119 66.785 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 25.002 37.887 66.540 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 61.098 36.067 38.760 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 61.770 35.599 38.264 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 61.056 36.931 38.350 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 30.591 92.208 37.734 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 29.890 92.412 38.354 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 31.229 91.713 38.247 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 85.166 33.956 9.153 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 84.530 33.837 8.449 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 85.085 33.165 9.687 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 67.574 49.034 40.860 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 67.115 49.819 41.157 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 67.087 48.751 40.085 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 57.661 28.450 -19.179 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 58.207 28.614 -19.947 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 56.862 28.952 -19.340 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 81.433 3.059 49.066 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 81.249 3.988 48.930 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 81.890 2.785 48.271 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 60.982 11.341 38.632 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 60.160 11.176 38.171 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 61.244 12.217 38.350 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 46.129 48.727 2.879 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 47.073 48.856 2.973 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 45.763 49.012 3.716 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 42.937 0.733 66.662 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 42.439 1.200 67.333 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 42.579 1.050 65.833 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 65.117 36.146 8.761 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 65.329 35.477 9.412 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 64.287 36.517 9.060 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 89.125 42.170 -15.499 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 89.408 42.301 -14.594 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 89.938 42.043 -15.989 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 80.098 25.819 35.181 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 79.215 25.550 34.927 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 80.388 26.390 34.469 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 73.629 96.231 36.473 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 73.538 96.879 37.172 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 72.801 96.276 35.995 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 70.390 35.488 2.884 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 69.865 35.417 3.682 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 71.285 35.301 3.168 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 73.230 26.440 19.363 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 72.304 26.254 19.207 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 73.626 25.580 19.509 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 29.553 13.138 -8.938 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 28.986 13.155 -9.709 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 29.400 12.277 -8.547 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 28.626 14.649 -18.182 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 27.819 14.156 -18.324 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 28.337 15.479 -17.803 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 38.169 58.814 -8.809 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 38.040 58.310 -8.005 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 38.915 58.395 -9.238 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 31.411 54.304 25.352 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 32.092 54.567 24.733 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 31.617 54.784 26.154 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 24.654 77.276 -8.753 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 24.263 76.604 -8.194 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 25.277 77.728 -8.185 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 30.637 3.283 63.307 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 31.152 3.802 62.691 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 31.286 2.883 63.886 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 86.892 36.987 41.881 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 86.878 36.395 41.129 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 87.062 37.850 41.504 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 56.585 92.913 57.538 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 56.948 92.048 57.347 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 56.018 93.106 56.792 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 68.306 27.782 3.340 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 67.670 28.464 3.124 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 69.107 28.049 2.889 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 77.090 41.420 29.118 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 76.137 41.367 29.054 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 77.405 41.120 28.266 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 21.846 24.840 -6.394 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 21.193 25.536 -6.317 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 22.683 25.301 -6.447 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 82.438 81.040 41.367 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 83.078 81.709 41.611 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 81.831 81.492 40.780 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 46.641 96.140 32.885 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 47.329 95.832 33.475 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 47.049 96.853 32.393 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 51.258 30.296 -8.159 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 50.357 30.128 -7.882 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 51.778 29.641 -7.693 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 72.798 62.117 59.603 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 72.476 61.537 58.913 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 73.487 62.632 59.181 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 68.506 36.131 -17.628 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 67.733 36.695 -17.623 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 68.513 35.724 -16.762 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 51.935 61.115 5.996 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 52.662 61.483 5.494 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 52.189 61.236 6.911 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 42.694 9.563 -15.764 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 43.155 9.574 -16.603 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 41.861 9.131 -15.953 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 55.571 7.078 21.713 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 55.074 7.264 20.916 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 55.593 7.912 22.182 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 35.501 25.149 30.382 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 35.759 25.962 30.817 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 35.795 25.257 29.478 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 21.542 24.497 3.350 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 21.600 25.332 3.814 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 22.025 23.882 3.902 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 89.813 0.802 51.831 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 89.477 1.529 51.306 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 89.267 0.803 52.618 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 77.250 43.114 10.011 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 76.524 42.538 9.769 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 77.176 43.857 9.412 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 49.880 3.529 -18.948 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 49.154 4.147 -18.861 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 49.996 3.171 -18.067 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 83.953 14.516 -14.077 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 83.308 14.912 -14.662 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 84.603 15.204 -13.934 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 74.062 31.687 -3.407 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 74.087 31.695 -4.364 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 73.523 32.444 -3.175 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 24.453 93.946 15.911 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 25.038 94.622 15.569 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 24.344 94.168 16.836 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 60.910 23.471 32.260 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 61.304 22.872 32.894 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 61.573 23.567 31.577 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 55.853 27.159 14.536 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 55.454 26.521 15.127 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 56.286 27.785 15.116 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 64.075 12.761 41.150 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 63.562 13.383 40.634 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 63.422 12.206 41.575 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 63.687 28.072 63.141 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 64.118 27.232 62.983 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 64.357 28.610 63.563 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 67.675 22.814 34.508 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 68.213 22.817 33.717 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 67.505 21.888 34.680 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 48.186 0.632 -16.240 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 47.556 0.568 -15.522 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 47.951 -0.084 -16.830 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 76.179 17.178 -12.448 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 75.512 17.147 -11.761 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 75.685 17.319 -13.255 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 73.820 57.433 -11.695 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 73.390 57.336 -10.845 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 74.232 58.297 -11.659 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 50.339 46.347 58.794 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 50.675 45.459 58.920 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 50.990 46.773 58.236 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 61.507 95.375 24.364 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 61.032 95.532 23.548 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 61.890 94.504 24.255 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 79.830 74.705 47.109 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 80.752 74.744 47.365 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 79.358 74.581 47.933 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 42.300 65.685 46.470 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 42.263 66.252 45.700 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 43.235 65.526 46.605 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 25.427 79.359 64.913 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 26.370 79.419 65.061 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 25.295 79.745 64.047 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 29.805 77.853 58.294 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 30.231 77.093 57.896 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 29.173 78.145 57.636 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 59.222 89.440 0.432 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 58.707 88.770 -0.017 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 59.199 90.195 -0.156 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 25.334 7.430 0.365 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 25.935 6.793 0.750 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 25.711 7.628 -0.493 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 36.197 28.598 64.651 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 35.725 27.827 64.965 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 37.068 28.270 64.425 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 23.305 62.330 44.158 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 23.958 62.815 43.653 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 23.766 62.065 44.954 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 32.757 26.621 -15.819 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 32.276 26.499 -15.000 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 32.596 27.533 -16.058 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 44.900 41.939 -8.742 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 45.758 42.108 -8.354 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 44.578 41.162 -8.285 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 83.449 91.078 -2.384 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 84.222 90.958 -2.936 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 82.785 91.435 -2.974 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 78.746 15.305 37.315 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 78.958 14.436 36.975 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 79.524 15.566 37.809 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 54.476 26.442 61.290 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 55.018 27.136 60.915 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 55.103 25.782 61.586 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 81.175 14.128 -10.246 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 80.589 14.464 -10.924 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 81.079 13.177 -10.295 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 46.144 9.419 -11.191 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 46.312 8.850 -10.441 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 45.214 9.294 -11.383 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 37.092 90.343 18.408 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 37.969 90.542 18.081 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 37.232 90.048 19.308 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 88.838 90.740 42.562 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 88.612 89.887 42.191 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 88.088 90.969 43.111 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 77.007 5.436 61.616 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 77.866 5.083 61.384 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 76.799 6.045 60.907 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 40.927 83.154 28.410 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 40.592 83.164 27.513 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 41.019 82.225 28.621 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 49.115 40.045 -13.897 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 49.016 39.770 -12.986 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 49.243 39.229 -14.381 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 61.500 57.310 -10.477 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 61.226 56.617 -11.078 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 61.874 56.845 -9.729 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 80.864 43.798 50.199 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 80.846 44.755 50.201 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 81.616 43.574 49.650 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 57.362 23.845 -16.824 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 58.162 24.032 -16.334 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 57.230 24.619 -17.373 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 37.786 81.803 40.400 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 38.136 81.252 39.700 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 38.256 81.522 41.185 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 28.913 5.899 -4.716 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 28.627 5.033 -5.006 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 29.303 6.296 -5.495 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 88.673 17.363 8.460 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 88.523 18.175 8.945 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 87.929 17.300 7.861 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 62.796 59.598 35.238 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 61.960 60.062 35.181 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 63.406 60.141 34.738 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 28.835 59.540 12.763 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 27.969 59.864 13.012 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 28.978 59.887 11.883 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 82.680 73.422 15.132 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 82.895 72.760 15.789 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 82.088 72.976 14.526 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 71.256 84.859 32.523 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 70.980 84.049 32.094 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 70.834 84.833 33.382 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 56.396 3.511 -6.020 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 55.613 4.055 -5.935 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 56.848 3.608 -5.182 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 82.035 7.429 8.829 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 81.807 6.709 9.417 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 82.777 7.099 8.322 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 40.253 9.573 21.821 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 40.334 10.373 22.340 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 41.018 9.052 22.065 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 80.171 86.854 -0.383 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 79.829 86.031 -0.733 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 80.487 87.328 -1.152 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 56.236 2.741 -12.651 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 56.324 1.809 -12.849 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 57.132 3.078 -12.675 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 65.728 73.743 37.655 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 65.046 73.096 37.834 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 65.944 73.616 36.731 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 63.653 46.797 65.538 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 64.198 46.501 64.808 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 63.852 46.188 66.248 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 36.236 2.213 58.247 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 36.451 2.317 59.174 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 35.353 2.572 58.164 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 22.517 93.339 -7.628 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 22.991 93.802 -6.938 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 22.477 92.432 -7.326 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 32.022 82.076 64.730 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 32.062 81.246 64.255 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 32.408 81.884 65.584 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 70.855 5.216 66.795 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 70.526 4.537 67.385 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 71.743 4.934 66.576 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 25.162 51.507 55.100 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 25.251 51.184 54.203 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 26.032 51.397 55.482 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 66.678 56.834 54.060 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 65.785 57.178 54.105 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 66.919 56.915 53.137 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 75.389 52.345 64.565 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 75.112 53.227 64.814 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 74.599 51.938 64.209 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 61.761 11.558 49.674 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 62.477 11.274 49.106 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 61.199 12.086 49.107 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 41.196 14.199 43.996 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 40.805 14.918 43.499 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 40.852 13.407 43.583 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 69.278 95.314 5.029 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 68.856 95.430 5.880 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 69.026 96.091 4.529 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 41.295 75.102 51.973 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 41.983 75.123 51.307 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 40.713 74.395 51.694 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 33.215 66.218 17.172 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 33.750 65.610 17.682 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 33.841 66.843 16.808 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 53.119 67.279 11.574 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 53.842 66.824 12.007 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 53.280 68.207 11.749 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 85.255 6.198 4.287 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 84.565 5.705 3.844 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 85.496 6.885 3.666 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 65.513 95.866 5.781 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 65.813 95.061 5.359 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 66.281 96.191 6.251 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 27.121 91.602 38.762 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 27.557 90.807 39.069 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 27.742 92.305 38.949 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 41.813 30.842 35.754 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 42.247 31.572 35.312 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 41.754 31.117 36.669 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 59.840 82.756 4.576 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 58.936 83.050 4.461 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 60.364 83.403 4.103 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 81.859 17.967 -14.580 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 81.609 18.866 -14.367 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 81.904 17.523 -13.733 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 71.796 48.828 -15.338 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 72.432 48.187 -15.017 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 72.305 49.410 -15.901 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 51.118 58.043 64.161 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 51.027 57.186 63.745 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 50.781 57.916 65.048 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 25.153 84.897 26.251 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 25.614 85.502 26.832 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 24.901 84.166 26.816 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 48.599 29.267 48.442 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 47.753 29.268 47.994 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 49.045 30.049 48.115 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 60.671 1.800 8.356 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 60.999 0.901 8.392 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 59.720 1.706 8.308 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 83.802 90.687 45.030 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 83.212 91.348 45.393 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 83.416 90.461 44.184 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 22.709 2.704 43.050 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 22.900 3.296 43.778 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 22.143 2.032 43.430 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 62.810 42.982 11.766 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 62.284 42.426 12.341 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 63.401 43.448 12.357 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 39.021 18.088 12.977 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 38.770 17.192 12.752 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 39.883 18.000 13.385 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 33.712 43.742 39.442 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 32.813 43.631 39.132 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 34.255 43.495 38.693 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 41.090 42.966 47.856 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 41.819 42.831 47.251 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 40.600 42.144 47.830 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 57.821 64.679 37.996 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 57.863 65.512 37.527 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 57.311 64.107 37.422 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 85.609 27.333 57.732 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 85.471 26.886 56.897 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 84.745 27.674 57.967 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 88.108 39.244 11.163 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 88.492 38.602 11.760 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 87.483 38.743 10.640 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 47.957 85.339 25.202 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 47.837 86.189 25.625 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 47.228 84.807 25.521 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 57.524 11.105 -1.859 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 57.590 11.038 -0.906 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 57.110 10.286 -2.129 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 88.066 84.069 -10.765 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 88.652 84.825 -10.802 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 88.570 83.397 -10.305 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 41.170 56.294 54.169 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 41.088 57.225 54.376 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 40.474 55.874 54.674 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 44.543 59.691 59.793 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 45.090 60.461 59.952 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 44.139 59.855 58.941 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 48.302 24.760 53.638 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 48.218 25.596 54.096 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 48.307 24.994 52.710 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 52.407 50.973 -9.446 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 52.279 51.293 -8.553 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 51.792 50.245 -9.530 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 24.615 18.301 42.050 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 24.251 18.097 41.189 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 24.712 19.253 42.049 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 20.793 64.905 -1.006 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 19.857 64.786 -1.170 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 21.093 65.466 -1.720 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 35.840 7.417 66.427 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 36.467 7.081 67.067 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 35.040 7.566 66.930 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 80.220 22.144 48.849 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 79.598 22.555 49.448 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 79.873 21.263 48.709 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 73.615 49.093 -10.548 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 74.261 48.885 -9.873 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 72.976 49.652 -10.105 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 63.467 9.104 22.054 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 62.792 9.030 22.729 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 64.293 9.054 22.534 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 83.312 17.212 -16.567 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 82.718 17.414 -15.844 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 84.183 17.413 -16.225 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 49.049 39.735 40.094 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 48.386 40.343 39.769 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 49.790 40.292 40.333 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 89.448 15.961 -9.605 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 89.227 16.891 -9.552 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 89.201 15.606 -8.751 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 28.674 15.402 64.943 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 28.491 14.573 65.383 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 27.870 15.911 65.045 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 52.183 32.543 3.047 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 51.302 32.235 3.262 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 52.425 33.107 3.782 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 39.563 25.490 53.360 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 39.979 25.078 52.603 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 40.290 25.727 53.935 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 42.002 32.482 -10.752 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 41.552 31.832 -10.212 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 42.746 32.762 -10.219 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 64.900 78.039 42.612 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 64.475 78.604 41.967 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 65.139 77.253 42.122 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 24.427 50.592 -10.955 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 24.614 51.508 -10.748 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 24.955 50.093 -10.332 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 37.819 6.943 -18.826 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 37.409 7.651 -18.329 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 38.671 7.294 -19.084 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 32.862 13.683 66.407 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 33.392 14.477 66.338 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 32.201 13.892 67.068 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 52.013 36.563 6.054 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 51.946 36.665 7.003 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 52.692 37.185 5.792 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 59.155 17.415 -8.132 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 59.399 17.721 -7.259 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 58.858 16.515 -7.997 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 49.122 40.230 4.484 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 49.912 39.985 4.003 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 49.382 40.994 4.998 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 63.010 90.012 -7.493 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 63.288 90.184 -8.392 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 62.997 90.874 -7.076 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 51.286 38.104 23.666 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 51.408 37.934 22.732 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 51.867 38.842 23.853 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 63.365 4.278 32.873 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 63.592 3.349 32.849 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 62.694 4.379 32.198 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 87.703 55.013 9.558 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 87.997 55.349 10.405 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 88.198 55.520 8.914 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 47.678 50.464 -3.261 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 46.753 50.464 -3.017 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 48.144 50.599 -2.436 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 68.317 48.691 20.075 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 68.256 49.631 19.902 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 69.077 48.602 20.649 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 33.472 30.370 50.803 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 34.013 29.582 50.766 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 32.747 30.192 50.203 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 20.917 30.801 32.092 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 20.474 30.384 31.353 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 21.618 31.316 31.693 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 79.464 59.254 30.830 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 78.605 59.361 30.422 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 79.955 60.031 30.562 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 85.554 10.405 -14.789 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 86.358 10.150 -14.337 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 85.500 11.353 -14.668 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 43.825 90.692 -11.218 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 43.491 89.795 -11.211 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 43.895 90.929 -10.293 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 79.136 18.661 -9.599 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 78.822 19.363 -9.030 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 79.786 18.196 -9.071 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 77.124 82.980 14.087 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 77.601 82.437 13.459 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 77.213 83.871 13.748 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 31.549 5.118 17.213 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 31.541 4.161 17.255 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 32.253 5.378 17.807 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 21.485 39.556 59.756 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 21.982 38.816 59.407 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 22.102 40.010 60.330 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 52.363 26.093 5.657 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 52.885 26.887 5.541 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 52.659 25.732 6.493 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 52.024 30.625 18.528 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 51.596 31.479 18.466 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 51.325 30.023 18.781 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 40.309 46.928 34.707 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 41.139 47.091 35.153 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 40.188 47.689 34.138 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 67.353 44.767 44.114 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 68.309 44.725 44.143 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 67.163 45.545 43.589 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 68.759 5.568 3.417 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 68.765 6.289 2.787 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 68.038 5.774 4.011 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 34.586 16.889 -4.869 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 34.294 17.712 -5.261 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 34.219 16.210 -5.435 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 40.329 49.411 57.575 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 41.232 49.211 57.822 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 40.409 49.943 56.783 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 51.025 48.764 35.260 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 50.435 49.381 34.826 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 51.605 49.316 35.785 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 40.098 41.094 55.695 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 40.986 41.103 55.338 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 39.661 41.834 55.273 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 84.627 43.666 37.225 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 85.423 43.431 36.748 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 84.039 42.922 37.092 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 64.034 69.488 33.108 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 63.127 69.216 33.249 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 64.384 68.843 32.493 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 67.351 79.171 -9.089 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 66.564 78.832 -8.662 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 67.168 79.093 -10.025 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 26.369 44.229 62.411 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 26.327 44.914 63.078 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 27.192 43.772 62.588 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 86.422 95.157 30.011 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 86.219 94.387 29.479 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 86.800 95.783 29.394 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 42.932 38.658 5.489 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 42.960 38.303 6.377 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 43.566 39.375 5.497 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 33.607 91.766 1.047 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 32.700 92.057 1.141 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 33.696 91.050 1.677 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 85.828 64.243 58.696 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 86.000 63.661 57.956 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 86.541 64.880 58.671 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 90.102 10.976 -9.625 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 89.775 11.836 -9.362 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 90.323 11.076 -10.551 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 55.935 41.749 35.033 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 55.901 42.705 35.056 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 55.200 41.469 35.579 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 26.067 34.057 47.161 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 26.692 34.399 46.522 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 26.500 33.287 47.531 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 55.539 39.644 57.303 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 54.849 39.510 56.653 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 55.929 40.486 57.069 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 35.402 11.767 63.263 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 34.468 11.871 63.445 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 35.627 10.918 63.645 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 83.303 90.358 36.371 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 84.169 90.579 36.713 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 82.825 91.187 36.371 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 74.984 30.378 36.723 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 74.139 29.935 36.793 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 75.065 30.871 37.540 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 46.443 71.761 5.547 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 47.138 71.751 4.890 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 46.861 71.435 6.344 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 72.803 57.050 -5.291 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 73.611 56.931 -5.790 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 72.502 56.160 -5.106 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 77.687 67.088 33.443 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 76.827 67.203 33.040 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 77.515 67.105 34.385 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 43.263 33.505 51.032 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 43.149 34.364 50.626 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 44.208 33.351 51.007 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 68.141 16.955 32.343 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 67.931 17.526 33.082 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 68.927 17.341 31.957 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 43.434 90.656 -0.585 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 44.016 90.637 0.175 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 42.643 91.094 -0.271 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 29.984 53.637 50.482 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 29.068 53.603 50.205 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 30.005 54.316 51.156 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 41.959 36.081 36.648 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 42.062 37.016 36.473 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 41.495 35.743 35.882 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 74.407 15.892 54.804 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 75.002 15.394 54.243 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 73.772 16.276 54.200 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 49.827 69.382 2.704 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 49.462 68.498 2.737 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 50.557 69.364 3.322 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 64.928 21.213 49.151 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 64.397 20.623 49.686 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 64.304 21.852 48.806 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 48.126 17.178 57.074 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 48.723 16.430 57.102 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 47.810 17.200 56.171 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 85.506 85.889 -10.915 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 85.257 85.397 -11.697 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 86.161 85.339 -10.484 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 65.718 24.154 16.213 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 64.965 24.665 16.511 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 65.459 23.243 16.348 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 43.639 1.917 -0.826 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 42.853 1.626 -0.364 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 44.261 1.198 -0.718 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 40.570 69.877 33.381 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 40.479 70.690 33.878 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 41.507 69.683 33.409 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 38.015 33.445 -17.740 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 38.868 33.134 -17.438 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 37.913 34.303 -17.329 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 40.704 47.313 38.850 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 39.863 47.492 38.429 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 40.699 47.857 39.637 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 35.031 49.250 41.490 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 34.808 50.109 41.849 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 35.647 48.879 42.122 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 50.122 53.168 23.685 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 50.783 53.859 23.703 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 49.750 53.215 22.804 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 33.688 19.883 6.920 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 34.343 19.499 6.337 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 33.945 19.593 7.795 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 40.053 96.545 37.975 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 39.177 96.929 37.943 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 39.900 95.611 38.123 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 24.962 64.848 52.899 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 25.850 64.519 52.757 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 24.802 65.435 52.160 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 23.548 56.741 34.712 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 24.134 56.366 34.053 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 23.141 55.982 35.130 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 37.775 70.050 9.114 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 38.464 70.390 9.685 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 38.174 70.025 8.244 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 20.447 2.235 -5.195 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 20.990 2.057 -4.427 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 20.945 1.875 -5.930 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 65.073 5.091 64.364 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 65.719 4.747 64.981 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 64.587 4.320 64.070 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 55.239 35.645 38.687 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 55.704 35.890 39.487 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 54.959 36.478 38.307 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 88.814 84.322 16.800 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 89.160 84.103 15.935 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 89.573 84.277 17.381 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 28.269 38.477 27.570 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 28.181 39.398 27.325 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 28.498 38.032 26.753 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 65.596 49.089 -16.456 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 66.242 48.685 -15.877 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 64.804 49.155 -15.923 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 61.476 62.510 35.807 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 61.563 63.048 35.020 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 60.724 61.946 35.630 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 66.460 73.903 54.476 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 67.251 73.375 54.364 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 66.513 74.564 53.786 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 31.305 67.122 6.321 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 30.421 67.079 5.957 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 31.239 66.675 7.165 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 21.122 88.389 33.900 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 20.637 89.000 33.346 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 22.038 88.519 33.656 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 48.793 20.223 -0.077 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 49.558 20.706 0.234 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 48.312 20.854 -0.613 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 78.925 68.792 1.342 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 78.451 68.894 2.167 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 78.490 68.061 0.904 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 67.217 34.195 30.143 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 67.092 33.952 31.061 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 66.404 34.639 29.900 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 65.221 1.241 0.763 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 65.334 1.783 1.544 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 65.385 1.836 0.032 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 21.196 4.918 58.716 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 21.295 5.857 58.559 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 20.377 4.687 58.278 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 34.395 34.957 6.008 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 34.698 35.650 6.596 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 34.428 34.161 6.539 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 22.126 63.180 -14.629 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 22.099 62.788 -15.501 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 21.934 64.106 -14.776 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 39.989 27.455 48.821 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 39.459 27.602 48.038 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 40.804 27.928 48.651 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 31.474 15.006 -8.928 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 30.946 14.212 -9.008 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 30.946 15.592 -8.387 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 75.422 69.322 12.088 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 74.532 69.168 12.403 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 75.361 69.228 11.138 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 36.957 77.774 17.966 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 37.281 77.274 18.716 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 36.181 78.225 18.297 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 49.109 61.987 -7.831 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 48.162 62.111 -7.766 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 49.481 62.805 -7.501 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 33.405 54.665 -9.301 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 33.369 54.722 -8.347 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 32.489 54.601 -9.573 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 53.362 49.098 1.254 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 53.985 48.384 1.386 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 53.429 49.626 2.050 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 52.741 74.012 44.865 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 53.235 73.315 44.433 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 51.923 74.067 44.372 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 89.191 27.607 48.678 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 90.145 27.668 48.621 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 88.998 27.728 49.608 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 63.183 67.926 24.069 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 62.798 67.238 23.526 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 62.691 67.888 24.889 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 32.852 42.321 -1.319 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 32.289 43.061 -1.093 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 33.279 42.584 -2.134 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 59.187 15.186 13.311 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 58.515 14.879 13.919 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 59.794 15.685 13.856 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 52.042 40.059 64.685 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 52.982 40.032 64.861 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 51.923 40.831 64.132 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 34.836 84.964 48.216 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 35.252 85.796 48.441 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 34.061 85.213 47.711 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 43.236 20.529 -13.144 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 42.386 20.091 -13.102 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 43.740 20.015 -13.775 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 86.449 79.698 -13.676 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 86.865 80.263 -13.026 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 87.023 78.933 -13.731 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 54.690 61.931 66.693 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 54.398 61.220 67.264 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 54.966 61.494 65.887 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 44.827 43.053 55.325 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 44.691 43.093 56.272 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 44.781 43.965 55.038 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 40.927 65.952 -14.777 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 40.921 66.072 -15.727 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 41.719 66.401 -14.484 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 69.489 31.904 -10.441 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 68.566 31.664 -10.362 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 69.950 31.270 -9.893 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 37.866 49.854 -11.278 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 38.610 49.340 -11.592 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 37.755 49.583 -10.366 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 26.478 23.349 29.587 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 26.008 23.214 28.764 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 27.170 23.972 29.368 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 55.329 53.989 12.143 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 55.824 54.796 12.289 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 54.433 54.207 12.401 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 28.915 5.177 -12.542 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 28.690 5.403 -11.639 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 29.679 5.717 -12.742 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 38.884 36.664 -1.704 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 38.692 37.424 -1.154 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 39.836 36.574 -1.664 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 29.854 27.611 14.382 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 29.677 26.701 14.622 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 29.251 28.123 14.922 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 30.590 61.465 41.736 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 30.832 62.331 41.407 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 31.205 61.300 42.451 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 68.001 73.695 21.781 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 68.028 74.206 20.972 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 67.223 73.145 21.692 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 77.516 57.029 34.851 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 76.597 57.170 35.078 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 77.825 57.886 34.556 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 54.140 24.613 -17.557 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 54.086 25.374 -18.135 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 54.701 24.899 -16.836 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 20.235 46.820 -17.443 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 20.109 46.863 -18.391 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 21.169 46.987 -17.317 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 46.292 58.642 -10.965 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 45.543 58.488 -10.390 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 46.956 59.031 -10.395 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 52.710 64.191 54.866 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 53.124 64.558 54.085 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 51.779 64.381 54.756 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 85.450 91.348 51.158 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 86.116 91.112 50.512 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 85.647 90.798 51.916 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 23.745 49.896 5.222 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 23.026 50.093 4.623 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 24.267 49.238 4.763 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 48.018 2.489 53.256 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 48.565 2.205 53.989 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 47.320 3.003 53.662 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 49.529 56.895 -9.857 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 49.361 57.799 -9.592 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 50.130 56.970 -10.598 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 50.651 70.315 -11.516 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 49.793 69.941 -11.312 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 51.140 69.594 -11.910 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 48.389 84.906 16.553 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 48.332 84.019 16.198 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 48.380 84.786 17.502 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 41.074 80.477 0.711 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 41.054 81.351 0.322 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 41.575 79.949 0.090 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 52.594 40.607 23.859 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 53.506 40.898 23.858 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 52.282 40.793 22.973 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 79.337 68.924 27.165 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 78.772 69.056 27.927 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 78.830 69.266 26.428 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 25.334 70.513 29.607 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 25.331 69.571 29.439 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 26.081 70.844 29.108 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 72.864 78.510 30.803 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 73.564 77.922 31.087 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 72.315 78.623 31.578 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 80.243 9.222 7.900 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 80.522 9.545 7.043 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 80.845 8.503 8.093 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 29.080 40.468 0.413 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 28.933 41.403 0.272 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 29.971 40.315 0.097 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 49.467 60.944 55.850 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 48.570 60.653 55.682 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 49.861 61.019 54.981 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 55.688 56.450 17.437 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 55.915 56.251 18.345 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 55.868 57.386 17.344 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 53.793 77.346 -16.245 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 53.017 77.874 -16.434 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 54.198 77.776 -15.492 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 74.582 52.741 -11.531 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 75.083 52.266 -10.868 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 73.670 52.508 -11.356 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 47.580 79.422 1.183 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 47.633 78.554 1.583 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 47.896 80.019 1.862 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 88.161 13.112 -8.302 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 88.769 13.823 -8.101 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 87.330 13.389 -7.915 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 60.065 40.060 -7.732 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 60.249 40.998 -7.680 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 60.820 39.644 -7.317 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 47.974 53.464 0.141 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 48.531 53.635 0.900 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 47.164 53.112 0.512 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 79.613 91.904 8.884 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 79.017 92.013 8.143 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 79.676 90.957 9.004 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 30.816 48.375 18.696 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 31.268 47.815 19.326 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 31.511 48.899 18.298 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 81.773 54.917 43.576 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 81.450 54.676 44.445 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 81.475 55.818 43.451 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 33.840 73.381 52.113 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 34.082 74.083 52.716 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 33.444 73.832 51.367 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 69.126 52.054 9.365 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 68.934 51.118 9.303 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 68.667 52.444 8.621 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 52.803 88.446 32.287 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 53.009 89.205 31.742 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 53.102 87.694 31.776 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 52.623 20.195 30.693 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 52.810 19.306 30.994 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 53.286 20.366 30.024 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 40.028 65.185 -8.750 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 40.630 65.927 -8.710 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 40.251 64.653 -7.986 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 34.387 8.881 18.806 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 34.290 9.380 19.617 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 34.524 9.545 18.130 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 69.373 15.913 55.754 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 69.112 16.686 56.254 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 70.315 16.019 55.622 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 80.128 60.191 20.105 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 79.646 61.016 20.149 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 80.696 60.202 20.876 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 70.719 28.179 5.291 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 69.807 28.114 5.009 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 71.115 28.803 4.683 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 44.895 8.539 41.953 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 44.012 8.415 42.301 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 45.274 7.660 41.942 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 50.957 84.183 47.164 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 51.492 84.561 47.861 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 51.435 84.382 46.359 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 62.058 3.133 54.056 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 62.387 2.684 54.835 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 62.779 3.699 53.783 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 63.735 72.147 -2.065 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 63.197 72.730 -2.601 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 63.155 71.871 -1.355 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 47.481 92.341 14.459 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 48.382 92.576 14.684 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 47.430 91.400 14.627 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 66.108 82.473 -15.530 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 65.649 82.901 -16.253 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 67.015 82.404 -15.828 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 22.587 7.659 10.821 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 23.315 8.263 10.671 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 22.642 7.443 11.752 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 24.774 75.233 7.559 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 23.953 74.789 7.769 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 25.186 74.678 6.897 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 50.660 60.247 -0.253 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 51.139 60.749 0.406 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 51.015 59.361 -0.186 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 25.705 50.985 28.720 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 26.604 50.956 28.393 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 25.391 50.085 28.638 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 50.529 78.869 26.008 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 49.599 78.712 26.175 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 50.905 77.995 25.907 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 69.775 59.232 62.994 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 69.187 58.742 62.419 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 69.327 59.246 63.839 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 49.233 94.026 61.869 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 49.896 94.684 62.080 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 48.501 94.228 62.452 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 24.462 27.687 48.892 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 23.575 27.891 49.189 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 24.969 28.472 49.094 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 27.781 19.182 42.893 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 28.658 18.937 42.600 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 27.207 18.512 42.521 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 44.602 43.898 41.789 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 44.714 44.826 41.582 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 43.961 43.586 41.150 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 21.852 89.564 57.867 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 21.547 88.989 58.568 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 21.853 90.438 58.256 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 34.362 76.513 0.288 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 35.211 76.955 0.268 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 34.197 76.270 -0.623 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 56.206 23.263 4.993 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 56.695 24.085 5.039 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 55.942 23.091 5.897 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 45.059 74.319 -15.161 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 44.988 73.796 -15.960 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 44.283 74.879 -15.171 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 68.611 74.690 1.580 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 68.706 74.041 0.883 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 67.672 74.708 1.765 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 20.716 24.856 -14.128 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 20.531 25.482 -13.428 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 21.666 24.746 -14.107 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 72.710 31.855 13.057 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 73.066 32.734 12.925 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 71.762 31.984 13.098 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 45.986 40.746 60.567 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 45.443 40.169 61.104 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 46.634 41.100 61.175 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 41.469 13.512 54.984 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 42.385 13.726 54.805 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 41.049 14.360 55.127 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 33.213 8.350 -4.824 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 33.361 7.514 -4.382 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 33.226 8.999 -4.121 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 25.733 18.701 57.140 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 25.138 18.218 56.566 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 26.154 18.026 57.672 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 48.820 6.082 46.127 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 48.704 5.615 46.955 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 49.215 5.436 45.541 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 66.347 78.681 18.815 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 67.217 78.830 19.185 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 65.930 78.069 19.421 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 68.732 29.494 42.194 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 67.887 29.073 42.036 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 68.512 30.399 42.414 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 58.988 81.210 66.643 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 59.018 82.101 66.991 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 59.519 81.245 65.847 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 25.575 82.505 32.658 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 25.594 81.588 32.932 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 24.731 82.832 32.970 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 72.792 29.424 25.976 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 73.622 28.949 26.019 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 72.873 29.981 25.202 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 45.544 91.297 50.134 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 46.426 91.659 50.222 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 45.676 90.435 49.740 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 51.310 40.372 -9.474 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 50.852 39.568 -9.231 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 51.056 41.005 -8.802 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 51.603 29.663 34.398 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 51.220 29.942 33.566 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 50.864 29.641 35.007 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 66.637 84.451 63.252 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 66.186 83.801 62.713 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 67.394 84.713 62.727 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 29.434 29.209 -18.271 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 28.929 28.476 -18.621 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 29.981 29.495 -19.002 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 47.335 74.527 48.466 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 47.827 73.737 48.687 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 46.653 74.225 47.866 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 62.577 29.607 5.406 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 62.066 28.797 5.421 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 61.941 30.287 5.184 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 71.000 77.217 -15.365 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 71.126 76.521 -14.720 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 70.394 76.844 -16.006 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 35.754 64.233 15.587 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 36.041 64.315 14.677 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 36.376 64.764 16.083 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 89.461 88.711 -15.911 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 89.599 88.899 -14.982 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 89.894 89.432 -16.368 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 65.123 20.003 27.602 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 64.534 20.523 27.055 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 65.817 20.612 27.854 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 59.038 20.365 -4.855 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 59.947 20.667 -4.874 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 58.742 20.553 -3.964 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 86.657 64.068 1.426 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 86.518 63.290 0.886 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 87.059 63.734 2.228 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 67.821 71.320 40.693 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 67.653 70.646 41.352 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 68.576 70.994 40.204 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 47.623 2.372 16.229 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 48.561 2.180 16.219 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 47.202 1.516 16.147 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 53.064 80.871 -6.663 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 53.930 80.681 -6.302 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 53.210 80.953 -7.606 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 42.842 33.210 61.503 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 42.442 32.535 60.955 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 43.529 33.588 60.954 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 56.365 39.484 -12.410 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 55.863 39.719 -13.191 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 55.749 38.989 -11.869 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 20.931 0.655 -17.138 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 21.518 0.680 -16.382 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 20.468 1.493 -17.110 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 58.480 90.663 51.993 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 57.579 90.348 52.063 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 58.976 89.906 51.683 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 62.883 79.535 7.921 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 62.174 79.228 7.356 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 63.482 78.790 7.981 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 66.027 13.550 11.833 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 65.987 14.361 11.326 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 65.163 13.476 12.237 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 32.951 22.900 -10.651 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 32.617 22.004 -10.686 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 32.709 23.212 -9.779 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 60.000 88.483 8.502 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 59.908 87.979 9.310 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 59.166 88.363 8.048 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 22.356 92.981 14.584 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 22.976 93.480 15.115 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 22.455 92.078 14.884 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 60.662 10.078 -7.617 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 61.404 9.670 -7.171 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 60.341 9.403 -8.216 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 29.903 89.465 7.419 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 29.621 89.162 8.282 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 30.686 88.948 7.228 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 46.353 89.384 -14.985 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 45.837 89.834 -14.316 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 47.233 89.750 -14.895 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 85.383 89.690 12.073 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 84.896 89.878 11.271 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 84.793 89.954 12.779 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 67.949 77.674 47.719 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 68.077 77.160 46.921 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 68.731 77.502 48.243 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 32.432 61.117 30.346 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 33.062 61.836 30.286 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 32.431 60.725 29.473 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 40.185 91.261 38.230 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 40.534 90.537 38.749 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 40.512 91.101 37.345 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 69.101 7.829 23.511 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 69.308 7.145 24.148 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 69.674 7.645 22.766 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 62.282 54.188 -1.896 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 63.037 53.600 -1.882 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 61.662 53.798 -1.280 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 27.773 46.126 31.829 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 27.881 45.976 30.890 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 28.436 46.783 32.045 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 45.592 16.215 37.539 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 45.334 15.893 36.676 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 45.007 16.955 37.704 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 22.740 66.728 58.947 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 22.545 67.366 59.634 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 22.064 66.058 59.043 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 82.400 26.382 2.582 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 82.664 26.413 1.662 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 81.712 27.043 2.656 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 36.794 45.317 5.630 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 37.247 44.539 5.306 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 37.147 45.451 6.510 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 64.709 79.091 14.497 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 64.269 79.856 14.867 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 64.225 78.343 14.848 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 31.272 6.411 1.015 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 30.635 7.069 1.292 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 32.090 6.897 0.911 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 82.081 3.463 -12.772 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 82.694 2.773 -12.521 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 81.216 3.073 -12.648 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 67.367 56.182 5.652 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 68.071 56.315 6.287 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 66.741 55.615 6.104 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 29.751 94.969 37.064 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 30.192 94.127 37.183 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 30.377 95.615 37.392 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 38.020 55.846 7.588 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 38.100 54.896 7.670 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 38.482 56.193 8.351 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 66.181 64.725 62.652 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 67.068 64.587 62.985 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 66.290 65.337 61.925 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 40.485 45.638 5.486 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 40.879 46.200 6.154 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 39.668 45.334 5.880 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 49.386 38.211 12.616 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 49.072 37.330 12.413 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 49.127 38.354 13.526 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 68.389 32.130 -18.122 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 68.675 32.067 -17.211 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 68.064 31.255 -18.333 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 30.127 94.482 65.337 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 29.679 93.925 64.700 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 31.046 94.222 65.279 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 27.367 76.506 28.339 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 27.845 75.725 28.060 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 26.445 76.281 28.214 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 28.829 33.390 21.687 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 29.627 33.151 21.216 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 29.108 33.488 22.598 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 74.521 90.857 62.325 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 75.253 90.514 61.814 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 74.293 91.682 61.895 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 65.996 82.344 31.523 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 66.016 81.912 30.670 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 66.378 83.207 31.364 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 70.267 68.029 -10.039 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 69.891 68.303 -10.875 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 69.648 68.348 -9.382 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 83.113 28.961 35.725 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 82.182 28.774 35.850 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 83.131 29.661 35.072 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 27.638 94.043 -17.208 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 26.885 93.962 -16.622 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 28.397 94.025 -16.626 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 53.054 42.927 37.097 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 52.146 42.636 37.006 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 53.407 42.894 36.208 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 46.877 89.518 36.546 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 46.696 88.590 36.693 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 47.522 89.528 35.839 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 73.611 96.148 -5.797 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 73.611 96.527 -4.918 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 74.396 96.506 -6.212 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 66.028 73.434 27.988 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 65.841 74.049 27.279 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 65.915 72.570 27.591 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 50.823 80.632 22.985 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 51.265 80.890 23.793 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 49.961 80.329 23.270 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 66.854 6.002 59.921 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 66.479 6.388 59.129 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 66.120 5.554 60.341 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 37.801 7.921 32.181 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 37.263 7.148 32.354 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 37.442 8.286 31.372 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 49.669 12.735 38.603 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 49.043 13.441 38.766 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 49.131 11.999 38.314 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 50.880 82.802 14.040 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 50.356 82.566 14.806 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 51.204 81.967 13.704 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 35.798 24.074 57.655 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 36.594 23.653 57.330 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 36.099 24.905 58.022 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 29.833 77.573 45.543 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 29.476 78.129 44.850 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 29.760 76.683 45.199 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 31.034 16.762 64.106 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 30.475 16.304 64.734 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 31.009 17.677 64.385 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 32.794 12.021 43.589 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 32.214 11.349 43.229 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 33.484 11.528 44.033 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 56.712 6.850 -10.825 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 57.069 7.734 -10.738 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 57.480 6.293 -10.951 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 81.744 8.775 -11.955 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 81.646 8.396 -12.828 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 82.558 9.276 -12.000 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 37.882 43.743 44.450 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 38.407 44.539 44.528 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 37.041 43.970 44.845 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 62.305 87.197 47.011 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 62.135 86.474 46.407 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 63.236 87.390 46.899 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 34.469 13.210 58.732 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 34.935 12.478 58.329 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 33.575 12.890 58.850 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 64.243 90.216 21.428 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 64.908 89.677 21.001 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 64.187 89.868 22.318 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 88.893 76.600 36.877 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 88.865 75.704 37.212 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 88.068 76.991 37.164 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 25.710 62.434 -15.054 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 26.470 62.884 -15.425 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 25.652 62.761 -14.157 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 36.782 13.210 28.855 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 37.366 12.808 28.212 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 36.211 13.778 28.338 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 23.032 4.711 33.333 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 23.840 4.283 33.616 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 23.326 5.490 32.861 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 58.868 12.134 50.193 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 59.421 12.781 49.754 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 57.973 12.433 50.029 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 34.309 3.549 14.638 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 34.682 3.404 15.508 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 34.472 4.475 14.459 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 53.640 45.764 50.779 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 53.567 46.169 51.643 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 52.756 45.454 50.583 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 88.589 29.777 -6.534 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 88.011 30.475 -6.226 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 88.055 29.279 -7.154 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 86.678 8.350 7.933 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 86.069 8.359 7.195 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 86.321 8.991 8.547 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 77.543 89.836 0.297 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 76.731 90.338 0.369 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 77.266 88.922 0.358 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 87.081 93.225 46.828 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 86.283 93.731 46.676 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 86.786 92.451 47.308 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 48.726 22.039 33.337 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 48.499 22.893 33.707 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 48.237 21.996 32.516 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 85.931 79.919 -9.194 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 86.302 80.430 -8.475 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 85.233 80.471 -9.546 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 50.171 78.617 10.808 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 49.319 78.267 10.549 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 50.795 77.932 10.565 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 84.201 5.971 60.762 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 84.058 6.731 60.198 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 84.132 6.317 61.652 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 62.752 11.797 4.099 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 61.908 12.200 3.892 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 63.055 12.262 4.879 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 75.086 25.077 46.181 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 74.475 25.768 45.925 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 75.165 24.525 45.403 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 74.870 23.671 -0.339 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 75.320 24.429 -0.711 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 75.423 22.925 -0.571 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 69.230 92.848 32.422 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 69.255 92.257 31.669 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 68.327 92.801 32.734 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 64.994 11.288 8.125 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 65.113 11.458 9.060 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 65.582 10.556 7.937 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 50.075 4.438 44.211 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 50.853 3.881 44.197 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 50.021 4.798 43.326 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 41.299 18.059 24.412 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 41.349 17.235 24.895 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 42.181 18.187 24.064 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 22.813 27.154 -4.726 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 23.262 27.718 -5.356 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 21.913 27.479 -4.713 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 86.874 52.420 -8.123 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 87.158 52.286 -9.027 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 86.457 53.282 -8.127 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 73.535 22.857 17.099 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 72.657 22.805 16.721 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 74.108 22.485 16.428 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 77.184 33.480 51.077 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 77.626 32.859 50.497 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 77.057 34.262 50.539 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 76.950 38.858 21.150 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 77.238 39.654 21.596 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 76.346 39.166 20.474 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 83.014 45.759 47.863 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 83.215 46.058 46.977 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 82.057 45.744 47.901 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 44.210 74.547 65.784 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 44.521 75.028 65.017 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 43.765 73.780 65.423 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 57.544 8.711 62.470 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 57.193 8.087 63.105 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 56.946 8.658 61.725 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 27.290 4.213 -2.543 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 27.834 4.769 -1.986 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 26.513 4.741 -2.725 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 62.036 49.475 -8.411 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 62.728 49.943 -7.945 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 61.243 49.652 -7.904 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 43.464 5.673 59.195 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 43.300 4.918 58.628 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 42.878 6.353 58.863 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 65.766 19.674 33.817 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 65.773 20.175 33.002 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 66.621 19.845 34.212 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 37.009 41.852 37.761 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 37.050 42.714 38.176 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 36.918 42.040 36.827 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 88.571 15.295 38.622 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 87.856 14.659 38.610 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 88.752 15.436 39.551 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 24.075 69.265 -6.859 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 23.666 69.801 -6.179 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 24.211 68.414 -6.444 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 57.684 24.823 12.659 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 56.867 24.656 12.188 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 57.613 24.296 13.455 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 57.057 13.897 58.037 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 57.521 13.163 58.441 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 56.130 13.687 58.152 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 68.909 20.546 27.272 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 68.163 21.145 27.243 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 69.301 20.608 26.401 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 64.196 29.262 0.355 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 64.203 28.306 0.312 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 63.786 29.461 1.196 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 74.921 45.913 23.612 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 74.092 46.389 23.668 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 74.746 45.197 23.001 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 37.701 3.862 26.538 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 37.250 4.345 27.231 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 37.210 4.068 25.743 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 85.910 2.970 0.294 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 85.827 2.152 -0.195 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 86.297 2.711 1.131 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 83.192 9.273 42.420 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 83.589 10.055 42.804 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 82.636 8.919 43.114 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 43.614 51.445 50.727 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 42.772 51.277 51.150 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 44.081 52.014 51.340 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 63.766 5.292 54.269 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 64.109 6.136 53.976 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 63.337 5.484 55.103 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 28.923 7.466 2.799 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 29.702 7.998 2.964 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 28.826 6.932 3.587 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 39.964 67.618 -11.427 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 40.882 67.397 -11.272 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 39.529 67.438 -10.593 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 38.973 71.561 1.529 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 38.531 71.020 2.183 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 39.443 70.936 0.977 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 38.580 33.305 0.330 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 38.683 34.257 0.332 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 39.230 32.995 -0.301 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 80.432 17.336 1.511 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 80.978 18.025 1.131 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 80.065 17.730 2.303 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 61.606 44.267 40.290 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 61.316 43.969 39.427 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 61.875 43.468 40.742 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 30.384 75.666 61.527 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 30.013 74.951 62.044 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 29.823 75.720 60.754 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 58.320 7.946 20.250 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 57.502 7.954 20.747 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 58.670 8.831 20.351 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 37.736 15.171 21.809 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 38.111 16.001 22.103 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 37.589 15.292 20.871 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 87.292 36.676 17.406 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 88.132 36.252 17.232 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 86.655 35.963 17.392 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 55.751 36.909 -1.945 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 55.056 36.308 -2.215 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 55.492 37.754 -2.310 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 42.870 55.037 48.745 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 43.551 54.436 49.044 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 43.311 55.605 48.113 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 79.451 94.821 -1.922 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 79.084 95.080 -2.767 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 79.891 95.608 -1.600 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 39.475 41.997 35.157 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 40.330 41.743 34.809 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 39.674 42.646 35.832 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 40.903 85.333 19.323 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 41.252 85.678 18.501 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 40.580 84.460 19.099 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 88.957 18.683 -9.800 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 88.818 19.360 -10.462 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 88.296 18.861 -9.131 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 29.913 5.835 63.934 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 29.696 6.288 63.120 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 29.801 4.907 63.729 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 53.377 27.023 43.914 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 53.077 27.436 43.104 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 54.226 27.430 44.090 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 37.481 70.237 24.170 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 37.769 69.450 23.707 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 38.290 70.702 24.380 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 67.764 73.783 47.428 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 67.966 73.127 46.761 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 66.960 73.468 47.839 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 63.190 36.124 57.368 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 62.769 36.918 57.698 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 62.463 35.557 57.112 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 84.342 74.960 -7.907 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 84.086 75.777 -7.479 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 85.266 74.852 -7.684 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 84.596 65.623 14.399 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 84.175 65.003 13.803 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 85.483 65.723 14.053 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 32.273 23.109 66.044 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 32.863 22.363 66.155 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 31.399 22.747 66.189 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 64.951 95.632 59.141 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 64.989 95.610 60.097 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 65.724 96.134 58.882 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 38.922 63.740 11.638 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 39.682 63.361 12.079 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 39.146 63.713 10.708 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 77.448 73.710 19.119 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 76.953 73.396 19.875 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 76.868 73.559 18.373 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 30.807 30.453 -4.226 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 31.389 31.036 -4.713 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 30.305 31.035 -3.656 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 40.884 12.371 10.355 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 40.647 11.654 9.767 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 41.657 12.054 10.821 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 74.377 34.295 43.466 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 74.869 35.089 43.673 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 74.720 33.636 44.071 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 60.346 73.392 42.907 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 59.831 72.974 43.597 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 59.947 74.255 42.798 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 83.999 44.366 -13.190 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 83.482 44.051 -13.932 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 84.094 45.306 -13.345 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 66.200 8.006 10.240 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 65.281 8.080 9.981 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 66.179 7.981 11.196 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 61.637 81.600 -13.720 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 61.454 81.173 -12.883 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 62.589 81.701 -13.734 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 40.187 30.335 -13.293 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 39.917 31.154 -12.880 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 39.734 30.330 -14.136 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 30.934 39.877 13.727 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 30.896 39.862 14.683 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 30.954 40.808 13.503 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 30.205 83.821 -9.667 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 29.876 84.117 -8.818 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 30.683 84.574 -10.015 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 39.050 87.951 45.625 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 39.059 87.708 46.551 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 38.245 88.458 45.518 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 45.283 11.446 -4.426 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 44.985 12.354 -4.368 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 45.464 11.194 -3.521 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 23.879 22.814 -5.832 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 24.245 23.112 -4.999 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 23.055 23.293 -5.917 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 39.365 65.667 27.328 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 38.926 64.820 27.244 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 40.239 65.453 27.653 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 56.320 15.559 -2.826 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 56.643 16.460 -2.798 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 56.362 15.317 -3.751 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 89.135 32.179 65.105 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 88.246 32.156 65.457 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 89.097 32.824 64.398 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 63.120 56.732 -1.880 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 62.932 55.804 -1.744 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 63.745 56.954 -1.189 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 59.864 74.416 48.712 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 59.723 73.490 48.909 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 60.771 74.581 48.972 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 59.823 16.280 62.268 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 59.542 15.374 62.392 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 59.230 16.627 61.601 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 48.253 49.837 -14.561 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 49.030 50.385 -14.672 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 47.517 50.439 -14.673 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 30.090 58.060 47.688 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 30.730 57.729 48.318 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 30.616 58.367 46.949 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 76.484 28.734 16.154 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 75.632 29.055 15.859 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 76.687 29.265 16.925 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 25.184 28.999 13.952 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 24.389 29.008 14.485 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 25.867 29.330 14.535 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 80.916 44.811 28.069 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 80.953 45.438 27.347 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 80.906 45.354 28.858 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 85.521 5.706 0.281 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 86.380 5.681 0.701 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 85.295 4.786 0.143 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 75.133 4.530 48.314 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 74.886 3.718 48.756 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 74.979 4.355 47.386 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 61.543 11.813 11.250 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 61.618 11.798 10.296 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 61.336 10.909 11.489 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 51.339 10.547 63.522 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 51.389 9.599 63.401 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 52.229 10.857 63.360 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 40.152 25.052 16.897 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 40.634 25.718 17.387 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 40.781 24.725 16.253 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 83.706 10.523 63.517 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 82.778 10.675 63.335 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 84.164 11.186 63.000 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 50.958 72.952 24.018 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 50.312 73.645 23.885 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 50.582 72.186 23.586 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 72.620 23.427 33.508 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 72.996 23.874 32.749 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 72.078 24.091 33.933 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 66.457 73.691 59.711 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 67.103 73.177 60.195 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 66.882 74.537 59.567 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 67.847 15.172 50.003 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 68.666 15.668 49.983 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 67.436 15.354 49.158 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 51.936 22.829 -4.795 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 51.117 23.254 -5.048 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 52.067 23.084 -3.882 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 61.151 34.277 9.160 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 60.198 34.325 9.239 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 61.460 35.133 9.456 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 80.278 86.327 25.253 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 79.859 85.477 25.390 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 81.075 86.125 24.763 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 42.285 56.883 12.208 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 42.500 57.813 12.132 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 42.892 56.551 12.870 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 66.818 79.683 65.066 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 67.524 80.114 64.584 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 66.715 80.207 65.860 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 86.467 49.679 -7.822 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 86.488 50.622 -7.664 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 87.314 49.484 -8.224 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 39.023 33.503 40.242 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 39.229 34.099 40.962 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 39.521 33.843 39.499 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 46.036 8.995 21.449 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 45.269 9.542 21.276 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 45.723 8.331 22.063 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 68.188 53.002 35.313 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 67.453 53.614 35.282 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 68.245 52.650 34.424 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 31.525 44.846 -0.630 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 31.071 44.387 0.076 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 32.382 45.062 -0.263 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 68.331 1.828 14.289 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 68.035 1.750 15.196 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 68.933 1.094 14.169 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 72.170 68.388 0.760 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 72.696 68.378 1.560 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 72.796 68.205 0.059 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 47.398 13.750 16.171 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 47.160 14.638 16.439 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 48.204 13.861 15.666 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 88.737 30.900 52.119 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 88.064 30.907 52.800 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 89.491 31.330 52.523 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 90.169 83.445 -1.559 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 89.672 84.178 -1.195 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 90.970 83.843 -1.899 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 39.436 85.973 31.946 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 38.523 86.212 32.102 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 39.391 85.119 31.516 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 90.215 27.127 10.352 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 89.583 26.424 10.501 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 90.915 26.958 10.982 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 82.605 27.591 66.405 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 82.542 28.310 65.777 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 82.790 26.820 65.869 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 33.043 38.303 -5.225 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 33.978 38.509 -5.220 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 32.636 39.048 -5.669 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 54.414 67.839 -3.147 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 54.111 66.936 -3.054 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 55.244 67.865 -2.671 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 71.602 26.020 32.453 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 71.868 26.123 31.539 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 72.073 26.711 32.919 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 84.212 52.492 1.954 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 83.451 52.698 1.411 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 84.853 53.169 1.737 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 49.573 58.863 2.193 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 49.762 59.792 2.325 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 50.167 58.409 2.789 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 29.561 65.167 38.699 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 28.712 64.782 38.917 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 29.440 66.107 38.829 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 38.751 75.793 29.037 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 39.460 76.053 29.625 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 38.692 74.843 29.138 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 53.255 19.274 19.792 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 53.252 19.790 18.986 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 52.561 19.660 20.326 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 86.171 88.523 15.919 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 85.373 88.018 15.762 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 86.816 87.872 16.198 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 57.036 30.232 19.576 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 56.466 30.131 20.338 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 57.897 29.948 19.881 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 26.976 55.345 49.385 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 26.862 56.292 49.458 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 26.719 55.005 50.242 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 88.260 35.545 -4.798 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 87.657 34.825 -4.615 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 88.778 35.635 -3.998 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 86.087 32.402 62.515 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 86.122 32.314 61.563 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 85.424 31.769 62.791 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 44.746 58.907 0.719 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 45.156 58.166 1.165 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 45.377 59.621 0.811 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 80.846 35.815 -8.367 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 80.663 35.004 -8.841 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 81.727 35.693 -8.014 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 87.905 68.795 15.784 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 88.376 69.212 16.506 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 86.985 69.007 15.944 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 21.516 82.259 30.643 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 21.819 82.718 29.860 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 21.303 81.377 30.337 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 62.867 19.580 -7.286 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 63.579 19.537 -7.924 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 62.229 20.177 -7.677 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 41.128 42.024 -5.365 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 41.299 41.669 -4.492 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 40.283 42.467 -5.282 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 66.920 84.395 28.435 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 66.713 84.572 29.353 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 66.181 84.759 27.948 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 84.601 21.268 65.988 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 84.711 20.331 66.150 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 83.723 21.466 66.313 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 64.826 52.078 11.095 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 64.042 51.541 11.209 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 64.730 52.781 11.737 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 30.044 42.358 65.992 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 30.377 42.486 66.880 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 29.105 42.211 66.107 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 22.074 20.571 -8.500 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 21.426 19.873 -8.594 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 22.842 20.138 -8.127 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 83.712 65.065 66.392 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 84.287 64.548 66.957 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 84.221 65.201 65.593 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 45.447 52.528 -4.803 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 46.011 53.077 -5.347 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 45.511 52.911 -3.928 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 85.519 62.559 55.912 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 85.795 61.871 55.307 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 84.818 62.160 56.427 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 40.390 27.846 14.846 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 39.899 28.619 15.127 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 39.859 27.105 15.139 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 76.256 72.781 0.258 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 76.613 73.555 0.694 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 75.432 72.608 0.713 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 80.205 37.380 60.798 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 80.722 36.588 60.650 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 80.315 37.892 59.997 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 21.673 49.722 -8.262 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 21.725 49.394 -9.160 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 21.433 48.955 -7.741 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 71.908 86.083 5.860 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 71.425 85.986 5.039 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 71.734 85.273 6.339 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 43.520 43.340 10.562 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 44.231 43.073 9.979 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 43.727 44.246 10.792 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 63.866 54.188 19.295 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 63.518 54.751 19.987 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 63.252 54.292 18.569 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 76.547 62.588 -2.335 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 76.473 62.252 -3.229 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 76.276 63.504 -2.400 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 40.402 63.673 -6.744 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 40.715 63.781 -5.846 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 39.499 63.372 -6.650 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 57.024 89.608 -13.280 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 56.829 89.028 -14.016 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 56.253 89.546 -12.715 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 49.968 18.068 52.670 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 50.410 17.937 53.509 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 49.479 17.258 52.527 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 58.854 30.698 -4.257 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 59.625 30.523 -3.717 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 58.369 31.367 -3.773 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 57.183 43.032 -4.835 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 57.798 43.637 -4.420 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 56.342 43.489 -4.805 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 26.539 90.073 -3.434 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 26.031 89.828 -2.660 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 27.333 89.541 -3.378 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 88.846 45.681 9.629 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 88.218 45.779 10.344 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 88.417 45.087 9.012 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 69.315 71.380 -11.548 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 69.310 70.429 -11.657 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 70.211 71.586 -11.280 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 51.289 28.887 16.026 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 51.526 28.547 16.889 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 50.543 29.464 16.193 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 87.441 74.973 49.949 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 88.318 74.859 49.584 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 86.908 75.260 49.208 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 73.026 44.269 -11.629 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 73.846 44.301 -11.135 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 72.347 44.447 -10.978 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 33.825 30.584 -0.309 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 34.160 29.694 -0.203 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 33.929 30.985 0.554 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 48.736 36.823 29.427 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 49.494 36.737 28.849 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 48.019 37.077 28.846 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 82.698 86.183 3.493 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 83.373 85.512 3.590 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 82.469 86.424 4.390 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 71.319 88.195 54.614 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 70.616 87.594 54.859 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 72.121 87.685 54.726 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 27.283 61.065 2.254 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 26.550 61.652 2.442 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 27.745 60.984 3.088 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 30.395 36.621 16.042 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 31.326 36.835 15.989 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 30.052 36.820 15.171 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 24.241 20.881 -15.971 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 24.119 21.561 -16.634 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 23.807 20.110 -16.336 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 27.500 27.481 42.937 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 27.711 27.430 42.004 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 26.906 28.228 43.007 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 52.766 22.855 6.114 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 53.177 22.904 5.250 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 52.931 23.712 6.507 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 88.096 57.040 -12.242 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 88.775 56.999 -12.916 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 88.578 57.071 -11.416 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 83.479 63.289 12.368 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 82.685 62.915 11.987 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 83.791 62.620 12.978 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 72.606 85.985 -13.435 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 72.019 85.229 -13.427 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 73.185 85.831 -14.181 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 49.217 6.537 -4.058 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 48.561 7.193 -4.292 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 49.987 7.047 -3.803 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 61.712 36.666 2.119 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 61.155 36.825 2.881 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 61.639 35.725 1.960 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 30.829 8.313 40.442 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 30.939 7.449 40.044 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 29.884 8.467 40.424 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 23.502 15.323 32.779 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 23.268 15.003 33.651 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 23.615 14.530 32.255 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 29.397 67.501 -3.816 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 29.957 67.741 -3.077 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 28.922 68.304 -4.028 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 24.015 35.438 -17.519 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 24.323 35.818 -18.341 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 24.776 35.470 -16.939 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 33.421 91.908 18.577 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 33.442 91.020 18.219 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 34.239 92.305 18.281 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 40.527 96.152 41.814 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 39.770 96.643 41.494 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 40.721 96.539 42.668 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 33.138 49.822 18.323 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 32.899 50.521 17.714 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 33.684 50.253 18.981 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 49.712 46.932 -19.112 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 50.659 47.069 -19.087 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 49.457 46.856 -18.193 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 71.231 23.498 64.144 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 71.397 24.200 63.515 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 70.573 22.946 63.721 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 22.555 96.155 56.821 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 22.302 97.073 56.914 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 23.456 96.185 56.500 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 60.831 95.071 18.645 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 61.059 94.142 18.603 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 60.556 95.291 17.755 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 50.500 19.105 48.849 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 50.891 19.866 48.421 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 49.649 19.001 48.422 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 22.553 56.043 42.846 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 22.169 56.339 42.020 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 22.046 56.493 43.521 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 59.803 76.836 36.711 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 58.985 77.105 37.128 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 59.733 75.884 36.637 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 77.929 7.791 -18.852 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 77.959 8.348 -19.630 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 78.835 7.509 -18.723 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 67.440 89.448 37.059 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 67.568 89.212 37.978 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 67.040 90.317 37.088 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 55.411 55.481 22.827 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 55.275 55.317 23.761 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 55.811 56.350 22.792 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 39.886 87.290 57.311 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 40.195 87.738 56.524 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 39.219 86.681 56.995 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 74.012 87.499 10.652 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 74.422 86.940 9.992 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 74.566 87.403 11.426 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 66.781 94.753 36.802 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 67.439 95.137 36.222 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 66.185 95.475 36.999 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 44.297 35.173 34.893 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 44.974 35.362 35.542 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 44.282 35.947 34.330 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 22.606 90.952 10.406 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 22.839 91.812 10.756 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 21.649 90.958 10.372 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 25.970 18.839 0.351 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 26.605 19.479 0.674 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 26.044 18.102 0.956 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 26.099 41.378 31.020 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 26.209 42.236 30.608 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 26.464 40.760 30.387 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 25.378 58.720 23.010 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 26.048 58.405 22.404 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 24.716 58.029 23.018 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 23.804 36.155 33.745 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 23.765 35.235 33.485 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 23.724 36.640 32.923 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 32.459 85.911 47.038 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 31.842 85.194 46.897 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 31.947 86.584 47.488 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 22.039 72.474 11.928 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 22.876 72.115 12.224 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 21.406 72.178 12.582 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 54.215 72.159 43.870 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 55.080 71.776 43.728 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 53.604 71.441 43.704 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 44.767 10.142 -1.897 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 44.530 9.383 -1.365 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 43.978 10.338 -2.403 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 28.315 90.077 58.262 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 28.591 90.975 58.076 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 27.370 90.141 58.399 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 29.365 92.679 17.865 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 29.166 93.041 17.002 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 30.117 93.186 18.171 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 57.895 71.971 4.373 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 58.644 71.419 4.597 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 57.502 72.197 5.216 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 77.780 28.338 50.610 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 78.248 28.662 51.379 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 78.448 28.286 49.926 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 89.472 81.195 57.564 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 89.730 81.355 56.657 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 89.977 80.425 57.825 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 44.631 9.437 16.803 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 44.329 9.244 17.691 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 45.171 10.222 16.898 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 24.428 28.744 60.840 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 23.649 29.107 61.262 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 24.092 28.047 60.275 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 38.601 17.931 -12.593 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 37.745 18.178 -12.942 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 38.506 18.010 -11.644 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 74.768 52.477 50.879 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 74.946 52.074 50.029 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 74.080 53.119 50.701 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 30.734 22.917 22.648 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 31.645 23.186 22.528 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 30.249 23.406 21.983 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 35.635 47.649 4.957 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 35.629 47.902 5.880 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 36.038 46.781 4.950 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 78.643 11.680 -5.853 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 78.803 11.834 -4.921 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 78.023 10.951 -5.872 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 50.652 2.845 -3.114 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 50.748 2.286 -2.342 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 51.169 2.410 -3.791 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 33.960 2.360 37.868 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 34.053 2.846 37.049 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 34.674 2.680 38.420 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 58.951 5.855 44.677 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 58.888 4.903 44.594 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 58.185 6.102 45.196 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 55.173 60.919 -12.502 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 55.100 61.147 -11.575 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 55.582 60.053 -12.504 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 45.052 94.574 3.954 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 44.931 94.661 4.900 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 44.362 93.972 3.677 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 78.165 4.475 1.210 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 78.289 3.960 2.007 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 77.470 5.095 1.430 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 21.177 34.394 43.851 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 21.926 34.565 43.280 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 20.624 33.795 43.349 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 22.471 27.190 4.511 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 22.885 26.556 5.096 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 21.688 27.475 4.982 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 66.444 91.349 10.312 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 66.947 90.858 10.961 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 65.706 90.778 10.098 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 43.609 96.521 -3.414 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 43.707 96.257 -4.329 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 44.202 95.943 -2.933 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 24.926 75.008 28.108 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 24.585 75.069 29.000 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 25.179 74.091 28.009 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 72.321 6.723 3.357 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 71.856 6.047 3.849 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 72.981 7.053 3.966 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 68.554 91.166 -15.686 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 68.186 91.166 -14.802 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 69.131 90.403 -15.706 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 55.814 33.088 56.026 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 55.123 33.056 55.364 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 55.733 33.958 56.416 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 47.540 25.411 -19.621 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 48.350 25.859 -19.866 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 46.908 26.116 -19.482 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 56.551 4.120 26.738 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 55.899 4.781 26.973 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 56.993 3.915 27.562 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 31.282 43.698 -17.804 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 32.234 43.714 -17.714 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 30.973 44.387 -17.216 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 43.382 15.381 30.799 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 43.860 14.579 31.008 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 44.017 16.083 30.939 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 59.393 86.868 27.139 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 59.656 85.965 26.959 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 58.831 86.804 27.911 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 76.536 0.588 -2.748 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 75.656 0.964 -2.779 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 77.019 1.157 -2.149 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 80.724 65.367 60.864 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 81.105 64.499 60.732 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 80.139 65.260 61.614 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 76.757 12.170 64.088 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 77.446 11.538 64.293 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 76.016 11.633 63.805 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 35.158 32.820 40.429 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 35.811 32.634 41.104 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 35.599 32.612 39.605 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 40.426 28.203 21.953 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 39.652 28.521 21.487 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 40.283 27.261 22.040 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 63.712 95.812 62.831 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 62.863 95.383 62.939 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 64.274 95.139 62.446 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 51.189 94.989 28.121 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 51.070 95.938 28.087 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 50.307 94.641 28.252 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 65.616 16.639 2.895 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 65.554 17.401 2.318 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 65.976 16.985 3.711 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 36.007 1.677 2.454 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 36.150 2.521 2.883 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 35.136 1.751 2.064 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 29.566 4.773 50.532 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 29.683 5.465 49.882 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 30.232 4.951 51.196 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 63.357 81.128 44.850 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 64.251 80.854 44.642 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 62.930 80.333 45.169 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 49.947 87.498 -9.640 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 50.785 87.796 -9.286 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 49.320 88.170 -9.370 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 60.209 12.301 47.448 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 59.309 12.043 47.253 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 60.693 12.113 46.643 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 36.138 30.917 30.707 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 35.589 30.598 31.424 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 35.966 31.858 30.673 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 42.806 83.000 36.513 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 42.915 82.113 36.856 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 43.315 83.008 35.703 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 54.216 76.565 -11.853 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 55.082 76.870 -11.584 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 54.378 75.718 -12.267 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 40.301 59.997 41.299 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 41.245 59.869 41.388 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 40.209 60.903 41.005 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 80.536 69.330 -9.849 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 80.233 69.880 -10.572 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 79.732 69.032 -9.422 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 40.294 35.800 1.474 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 40.470 35.669 2.406 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 39.506 36.343 1.453 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 41.532 86.072 53.767 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 42.152 85.346 53.707 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 42.082 86.855 53.807 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 68.018 1.078 3.448 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 67.463 1.663 3.964 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 68.341 1.624 2.731 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 33.406 90.976 -14.851 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 33.844 90.339 -14.287 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 34.025 91.703 -14.918 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 20.528 62.691 34.341 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 20.221 62.719 35.247 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 20.604 61.757 34.142 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 46.068 83.011 0.942 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 45.850 83.420 0.105 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 46.662 82.296 0.712 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 63.453 44.036 51.358 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 63.214 44.674 50.686 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 63.257 44.475 52.186 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 42.258 6.481 -9.063 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 41.762 6.532 -8.246 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 42.507 5.560 -9.135 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 60.803 91.364 26.412 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 60.076 90.785 26.640 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 60.578 91.700 25.544 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 34.818 51.468 11.201 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 34.850 50.644 11.688 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 34.622 52.131 11.863 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 61.040 89.651 33.346 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 60.719 90.465 33.734 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 61.208 89.078 34.093 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 87.033 34.249 58.463 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 86.204 34.728 58.463 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 86.908 33.554 59.109 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 47.746 95.236 52.432 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 47.774 94.296 52.251 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 48.656 95.474 52.606 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 49.865 1.295 42.034 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 50.215 1.846 41.333 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 48.931 1.503 42.059 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 50.734 83.702 60.512 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 50.038 83.047 60.569 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 51.371 83.432 61.173 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 82.168 60.951 63.583 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 81.481 60.391 63.947 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 82.291 61.637 64.239 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 86.719 14.158 0.764 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 86.250 14.878 1.185 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 86.989 13.592 1.487 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 74.666 47.143 5.155 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 75.143 46.742 4.429 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 75.218 46.985 5.921 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 31.876 56.814 61.469 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 32.091 55.981 61.890 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 31.132 56.611 60.902 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 84.627 29.175 -6.309 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 85.047 28.479 -5.803 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 84.364 28.753 -7.126 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 71.396 17.266 -12.282 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 71.147 18.190 -12.249 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 71.191 16.931 -11.409 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 24.083 60.340 -15.715 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 24.746 60.994 -15.495 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 24.396 59.533 -15.304 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 30.442 52.131 -4.392 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 29.819 51.424 -4.562 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 31.222 51.688 -4.056 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 21.992 77.454 29.870 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 21.985 77.456 30.827 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 22.705 76.858 29.637 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 81.252 69.169 60.439 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 80.895 68.542 59.810 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 81.767 69.776 59.908 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 34.539 14.662 46.225 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 34.688 13.761 45.940 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 34.908 14.698 47.108 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 82.886 12.564 -18.648 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 82.925 11.889 -17.971 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 83.748 12.540 -19.063 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 80.250 9.042 0.797 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 79.941 9.934 0.639 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 80.126 8.593 -0.039 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 87.364 41.147 26.652 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 86.697 41.261 25.974 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 87.628 42.038 26.881 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 59.771 37.833 -10.691 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 60.572 37.551 -10.249 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 59.375 38.465 -10.090 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 30.973 5.597 14.510 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 31.345 5.509 15.387 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 30.970 4.707 14.159 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 33.658 89.811 26.338 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 33.615 90.547 25.728 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 33.841 89.051 25.785 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 55.030 35.291 57.451 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 54.140 34.938 57.441 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 55.116 35.702 58.311 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 82.898 73.142 58.067 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 83.709 73.050 57.565 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 82.804 74.085 58.200 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 46.246 6.169 0.320 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 46.506 5.541 0.993 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 45.314 5.998 0.179 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 57.212 72.589 -2.923 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 57.505 73.373 -3.387 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 57.682 72.614 -2.089 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 48.033 28.283 64.499 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 48.151 29.143 64.902 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 47.848 28.473 63.579 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 89.299 19.297 43.408 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 89.994 18.810 42.965 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 88.850 19.767 42.706 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 22.817 11.759 -3.891 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 23.611 11.531 -4.375 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 22.597 12.640 -4.193 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 39.502 67.849 57.228 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 39.294 67.713 58.152 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 40.393 68.198 57.231 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 26.411 1.746 32.091 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 25.600 2.124 32.431 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 26.518 2.145 31.227 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 25.736 82.060 14.169 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 26.640 82.372 14.156 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 25.331 82.525 14.901 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 84.266 48.244 -9.435 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 84.036 47.333 -9.257 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 85.023 48.415 -8.875 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 33.264 81.125 14.364 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 34.095 81.451 14.017 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 32.687 81.079 13.602 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 29.515 82.168 61.921 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 29.239 81.626 61.181 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 30.063 81.588 62.450 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 69.198 30.397 19.553 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 68.382 30.000 19.246 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 69.693 30.577 18.754 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 72.138 91.944 34.314 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 72.355 92.464 35.088 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 71.938 91.074 34.659 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 59.924 24.483 5.258 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 59.577 25.104 5.898 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 59.375 24.603 4.484 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 39.191 18.182 63.192 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 39.032 17.942 64.105 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 38.354 18.029 62.755 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 31.681 37.401 42.682 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 31.337 38.284 42.549 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 32.565 37.536 43.025 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 63.383 81.369 55.002 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 63.853 81.853 54.323 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 63.388 80.462 54.698 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 48.296 32.593 16.927 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 47.990 33.471 17.151 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 48.037 32.050 17.672 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 48.089 35.445 18.579 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 48.590 36.228 18.347 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 48.267 35.313 19.510 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 52.569 14.241 55.705 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 51.737 14.191 55.235 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 52.528 15.072 56.178 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 32.010 70.190 53.166 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 31.440 69.534 53.566 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 31.796 70.158 52.234 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 64.693 21.805 10.736 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 64.017 21.536 10.115 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 64.415 22.672 11.032 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 33.369 45.176 -19.270 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 33.828 46.006 -19.399 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 33.531 44.953 -18.353 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 74.789 38.492 -5.335 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 74.475 38.444 -4.432 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 74.001 38.643 -5.856 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 32.909 19.384 -3.312 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 33.277 19.238 -4.184 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 32.741 20.326 -3.278 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 22.038 80.985 -14.973 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 21.104 81.184 -14.914 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 22.136 80.152 -14.511 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 50.948 81.481 25.729 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 50.843 80.530 25.693 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 51.412 81.641 26.551 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 51.121 27.386 21.445 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 50.866 27.357 22.367 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 50.816 28.241 21.139 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 47.598 44.568 52.736 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 46.868 45.059 52.358 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 47.616 44.837 53.655 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 46.248 46.137 8.433 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 46.804 45.772 9.122 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 45.490 46.491 8.898 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 64.650 52.669 61.400 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 64.482 53.555 61.081 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 64.783 52.774 62.342 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 23.496 95.520 50.148 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 24.037 95.730 50.909 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 23.274 94.595 50.259 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 48.343 41.089 62.198 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 49.004 41.762 62.036 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 48.594 40.363 61.627 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 36.516 22.313 54.609 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 37.028 22.180 55.407 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 35.904 23.015 54.831 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 66.192 37.602 31.246 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 65.957 38.528 31.185 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 66.359 37.337 30.341 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 82.097 53.325 -12.187 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 82.916 53.202 -12.667 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 81.588 52.536 -12.373 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 44.899 25.441 53.297 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 45.375 25.136 54.069 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 45.461 26.118 52.921 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 78.352 55.752 -16.273 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 77.614 55.375 -15.794 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 78.110 56.669 -16.403 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 65.588 30.419 9.657 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 65.790 31.288 9.308 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 65.168 29.961 8.929 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 45.756 31.788 5.102 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 44.842 31.769 5.383 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 46.176 32.412 5.695 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 29.337 52.986 63.596 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 29.798 52.422 64.217 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 28.721 53.483 64.135 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 72.691 16.249 0.526 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 72.034 16.189 1.220 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 72.812 15.346 0.232 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 62.062 4.715 22.702 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 61.589 5.546 22.657 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 61.414 4.057 22.451 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 70.423 61.277 66.270 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 70.264 61.487 67.190 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 69.646 60.790 65.996 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 47.281 12.266 -1.557 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 47.851 12.447 -0.809 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 46.405 12.195 -1.178 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 60.705 34.116 23.998 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 61.430 33.850 23.431 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 60.758 33.524 24.748 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 67.883 9.126 41.446 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 67.338 9.828 41.090 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 67.319 8.679 42.076 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 31.238 30.135 48.901 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 30.614 29.734 48.295 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 30.735 30.815 49.348 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 33.507 17.127 -1.402 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 33.271 17.802 -2.039 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 34.411 16.896 -1.621 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 51.603 86.226 -1.120 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 51.417 85.521 -0.501 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 51.680 85.787 -1.967 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 63.348 20.171 59.441 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 64.110 20.509 58.969 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 62.841 19.706 58.777 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 83.000 26.137 5.272 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 83.696 25.499 5.428 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 82.867 26.120 4.325 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 69.244 38.765 50.035 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 70.191 38.888 49.974 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 68.878 39.419 49.439 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 78.884 14.822 65.626 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 79.783 14.538 65.457 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 78.542 14.179 66.247 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 69.212 30.163 9.520 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 68.929 31.070 9.401 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 70.158 30.224 9.654 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 27.909 93.393 45.587 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 28.762 93.792 45.418 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 27.328 93.780 44.931 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 26.567 5.711 46.045 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 26.827 5.323 46.881 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 26.748 6.645 46.147 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 21.891 81.339 -3.611 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 21.803 81.614 -2.698 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 21.011 81.056 -3.862 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 38.457 75.884 51.699 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 38.910 76.128 52.507 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 38.687 74.965 51.564 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 55.143 52.068 49.865 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 55.287 51.819 48.952 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 54.191 52.109 49.955 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 47.482 63.477 66.569 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 47.423 64.248 67.133 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 48.319 63.576 66.114 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 76.501 85.536 23.694 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 76.540 85.380 24.637 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 77.172 84.960 23.327 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 79.024 23.601 -17.632 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 79.721 22.945 -17.644 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 78.245 23.119 -17.355 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 24.195 4.816 -10.490 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 23.286 4.947 -10.222 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 24.135 4.447 -11.371 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 82.806 45.730 -4.921 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 82.309 44.912 -4.912 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 82.718 46.073 -4.031 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 35.310 23.871 50.508 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 36.263 23.931 50.568 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 35.013 24.781 50.496 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 49.021 87.865 62.755 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 49.450 87.503 63.530 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 49.580 88.597 62.492 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 25.234 67.044 -9.930 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 25.548 66.355 -10.516 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 25.833 67.016 -9.184 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 83.618 48.482 21.280 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 84.386 48.731 20.766 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 83.042 49.245 21.238 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 53.392 24.073 20.086 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 53.132 24.369 20.958 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 53.985 24.754 19.769 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 59.171 26.218 15.773 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 59.645 25.898 16.541 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 58.437 26.714 16.135 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 48.478 6.535 7.411 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 48.009 5.779 7.059 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 47.919 6.856 8.119 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 48.079 39.021 57.068 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 47.140 39.106 56.899 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 48.240 38.078 57.054 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 90.377 57.051 35.063 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 90.564 56.832 35.976 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 89.831 56.330 34.750 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 48.174 26.522 43.203 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 48.069 27.409 43.546 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 48.949 26.571 42.644 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 82.665 78.973 16.917 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 81.736 79.091 17.115 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 82.865 78.088 17.222 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 33.539 4.158 -14.287 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 33.476 3.218 -14.456 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 33.726 4.221 -13.350 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 80.908 76.640 36.442 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 81.075 76.432 37.361 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 81.104 75.829 35.973 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 39.449 54.705 40.601 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 39.149 54.890 39.710 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 40.347 55.034 40.625 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 82.666 49.731 -1.767 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 81.736 49.729 -1.541 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 82.700 50.122 -2.640 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 49.590 49.689 6.475 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 49.536 49.627 7.429 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 50.484 49.986 6.305 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 84.759 21.359 -4.706 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 84.940 20.419 -4.703 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 83.824 21.423 -4.900 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 65.532 61.835 19.269 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 64.764 61.279 19.399 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 65.896 61.951 20.147 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 71.497 24.443 -12.102 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 71.467 24.897 -12.944 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 72.168 24.908 -11.602 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 42.704 52.815 9.990 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 43.362 52.621 9.322 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 43.193 53.252 10.688 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 70.366 24.442 6.022 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 69.544 24.930 5.979 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 70.349 23.876 5.250 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 36.840 20.135 -19.925 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 37.467 20.244 -19.210 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 36.152 19.579 -19.558 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 82.049 0.732 37.195 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 82.313 -0.094 37.600 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 82.647 1.382 37.564 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 27.790 24.780 -18.582 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 27.864 24.989 -17.651 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 26.864 24.911 -18.785 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 82.267 36.530 30.901 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 81.478 36.031 30.688 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 82.574 36.151 31.725 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 56.779 7.915 27.517 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 57.015 8.693 28.023 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 57.186 8.052 26.662 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 62.699 17.144 -1.456 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 62.085 16.439 -1.661 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 63.231 16.799 -0.739 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 60.276 24.054 37.665 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 59.370 23.805 37.480 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 60.761 23.788 36.884 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 29.965 71.819 -3.130 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 30.692 71.453 -2.628 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 29.223 71.248 -2.930 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 59.836 8.260 61.094 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 59.081 8.512 61.626 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 60.085 9.063 60.636 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 42.250 23.280 -12.988 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 42.593 22.386 -12.973 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 41.318 23.175 -13.183 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 22.653 38.312 64.023 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 23.421 37.872 64.387 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 22.161 38.609 64.788 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 38.917 45.743 -14.347 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 38.647 46.603 -14.024 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 39.450 45.932 -15.119 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 26.437 26.898 12.509 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 26.509 26.256 13.216 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 26.153 27.702 12.944 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 75.636 46.344 -7.341 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 74.682 46.269 -7.359 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 75.821 46.873 -6.565 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 41.310 10.524 24.950 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 42.104 10.307 24.461 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 41.384 11.463 25.123 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 49.740 26.715 4.844 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 50.624 26.960 5.116 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 49.575 25.881 5.284 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 51.406 65.363 49.866 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 50.939 66.078 49.434 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 51.604 64.745 49.162 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 29.469 8.981 28.237 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 29.625 9.632 28.922 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 29.104 9.482 27.508 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 72.133 4.190 50.857 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 72.085 3.427 50.282 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 71.319 4.667 50.692 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 57.933 26.070 -6.320 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 58.126 25.342 -5.728 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 57.512 26.726 -5.764 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 52.228 59.282 49.578 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 52.674 60.114 49.420 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 51.515 59.268 48.940 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 65.979 53.910 58.978 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 66.777 54.052 58.469 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 65.466 54.708 58.847 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 65.546 25.261 -0.428 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 64.950 25.581 0.249 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 65.601 25.979 -1.059 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 54.712 28.201 -4.746 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 54.207 27.394 -4.645 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 54.368 28.785 -4.070 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 39.088 43.577 -0.475 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 39.969 43.801 -0.774 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 39.229 43.002 0.277 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 42.518 72.048 -14.628 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 41.613 71.992 -14.935 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 42.444 72.217 -13.689 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 78.378 14.715 55.928 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 77.567 15.075 56.287 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 78.623 14.020 56.539 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 26.178 17.439 44.683 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 26.457 18.348 44.572 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 25.592 17.275 43.943 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 65.252 15.969 24.897 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 65.176 16.167 23.964 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 64.690 16.615 25.325 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 32.538 29.021 -6.863 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 32.824 29.926 -6.987 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 33.331 28.551 -6.604 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 21.298 5.124 -10.188 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 20.471 5.590 -10.314 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 21.222 4.731 -9.319 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 44.325 57.288 47.266 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 43.606 57.147 46.650 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 44.601 58.191 47.109 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 55.916 22.476 61.214 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 55.194 22.899 60.750 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 55.541 22.213 62.055 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 57.978 3.431 -8.485 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 57.715 3.522 -7.569 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 57.214 3.052 -8.918 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 54.242 35.372 -12.079 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 54.911 35.866 -11.605 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 53.669 36.041 -12.453 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 23.251 90.451 49.292 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 22.568 90.884 49.803 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 23.221 90.880 48.437 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 61.441 74.000 -12.247 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 61.609 73.502 -11.447 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 62.270 73.972 -12.725 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 61.344 28.717 46.884 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 60.783 29.123 47.544 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 61.274 27.778 47.054 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 87.976 17.405 2.740 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 87.020 17.446 2.759 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 88.175 16.714 2.108 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 50.145 42.539 24.800 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 49.516 42.896 24.173 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 50.751 42.025 24.267 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 53.187 43.707 39.764 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 53.308 43.734 38.815 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 54.023 43.386 40.103 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 39.199 46.483 45.383 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 39.130 47.421 45.560 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 39.624 46.123 46.161 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 73.989 40.135 16.528 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 73.423 39.905 15.791 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 74.684 40.667 16.139 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 83.052 31.528 1.312 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 83.162 31.318 2.240 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 82.467 30.847 0.980 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 20.958 84.816 37.361 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 20.358 84.635 36.637 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 21.030 83.982 37.827 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 51.757 36.101 39.862 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 51.673 36.488 38.990 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 50.918 35.665 40.013 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 82.080 62.386 -18.638 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 82.460 61.532 -18.433 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 82.493 62.987 -18.018 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 49.621 18.320 -1.959 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 50.058 19.015 -2.452 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 49.246 18.765 -1.199 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 61.519 92.753 15.215 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 62.115 92.017 15.359 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 61.436 92.811 14.263 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 81.416 35.533 5.758 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 82.300 35.899 5.724 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 80.846 36.293 5.875 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 50.482 7.228 66.801 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 49.950 6.914 66.069 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 50.956 6.453 67.102 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 34.062 32.481 7.323 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 34.572 31.676 7.240 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 33.223 32.278 6.911 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 46.495 35.764 53.767 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 47.067 36.175 53.119 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 46.930 35.923 54.605 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 75.653 51.679 48.220 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 75.045 51.684 47.481 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 76.327 51.046 47.972 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 67.982 69.760 52.819 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 67.812 70.343 52.079 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 68.535 69.067 52.457 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 46.692 6.771 50.379 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 47.328 6.159 50.748 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 46.185 6.246 49.759 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 65.102 69.951 -14.576 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 65.306 69.931 -15.511 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 65.125 70.879 -14.345 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 59.652 11.406 19.238 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 60.032 10.562 18.994 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 60.338 12.044 19.040 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 57.002 4.865 14.045 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 56.098 4.684 14.304 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 57.523 4.632 14.813 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 38.681 25.064 60.377 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 39.539 24.843 60.738 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 38.650 24.609 59.536 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 73.976 49.546 25.960 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 73.057 49.290 26.037 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 74.028 50.005 25.121 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 24.472 63.119 62.036 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 25.271 62.803 61.616 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 24.445 62.660 62.876 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 89.601 22.306 37.966 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 89.819 22.793 37.171 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 90.292 22.537 38.587 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 40.224 23.699 12.577 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 40.520 22.832 12.854 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 39.674 23.532 11.811 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 42.987 90.366 14.375 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 43.124 89.544 14.845 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 42.134 90.678 14.679 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 59.434 34.799 48.753 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 59.089 34.036 48.289 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 58.656 35.290 49.018 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 46.896 83.648 59.911 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 47.193 84.327 60.516 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 47.320 82.848 60.220 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 20.836 83.161 -12.748 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 20.717 82.218 -12.635 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 21.526 83.392 -12.127 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 64.291 47.315 5.491 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 64.119 47.170 6.421 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 63.972 46.522 5.061 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 36.017 9.071 12.762 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 35.506 8.450 12.243 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 36.070 8.671 13.631 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 21.257 38.385 13.613 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 20.607 37.898 13.108 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 20.838 39.225 13.798 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 65.981 59.710 26.760 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 65.576 60.497 26.395 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 65.255 59.228 27.155 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 70.667 73.983 -7.880 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 70.246 73.270 -7.400 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 71.409 74.236 -7.331 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 77.220 29.979 19.516 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 76.903 29.264 20.069 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 77.594 30.610 20.131 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 89.288 23.873 42.591 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 89.844 24.651 42.536 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 89.697 23.333 43.267 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 58.976 73.026 -9.540 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 58.116 73.251 -9.894 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 58.819 72.246 -9.008 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 75.442 39.018 36.680 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 75.874 39.699 37.196 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 75.403 39.377 35.794 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 39.799 49.767 36.161 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 40.724 50.006 36.220 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 39.418 50.075 36.983 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 48.335 18.982 -19.392 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 48.977 18.656 -20.023 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 48.835 19.113 -18.587 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 57.484 59.889 41.707 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 57.597 58.949 41.568 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 56.918 59.952 42.476 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 55.664 62.396 42.254 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 56.325 62.280 41.571 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 55.603 61.539 42.676 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 46.680 52.491 10.229 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 47.570 52.784 10.423 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 46.317 52.245 11.080 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 34.206 17.663 57.940 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 34.145 18.231 57.171 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 34.284 18.267 58.678 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 41.077 44.591 9.652 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 41.886 44.118 9.848 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 41.060 45.309 10.284 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 38.831 32.201 32.503 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 39.603 31.645 32.604 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 39.086 32.850 31.848 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 46.218 71.954 14.735 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 46.567 71.110 15.020 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 45.870 71.787 13.859 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 59.611 36.983 26.517 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 59.812 36.832 25.593 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 58.904 37.628 26.506 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 37.589 90.747 34.233 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 38.175 90.009 34.396 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 38.068 91.304 33.619 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 44.661 83.891 -16.246 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 44.536 83.892 -15.297 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 43.981 83.305 -16.578 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 34.179 22.200 2.588 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 34.855 21.793 3.130 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 34.252 23.136 2.775 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 55.754 45.115 23.155 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 55.313 45.798 23.661 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 56.015 45.549 22.343 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 54.999 37.702 -18.669 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 55.015 37.044 -19.364 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 54.343 37.382 -18.050 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 46.045 28.400 43.463 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 46.264 27.975 44.293 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 45.298 28.961 43.671 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 62.903 12.478 30.430 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 62.659 13.352 30.125 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 62.687 12.480 31.363 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 26.761 92.228 22.824 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 27.547 92.550 22.383 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 27.089 91.619 23.485 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 57.168 19.980 46.836 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 56.313 20.409 46.805 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 57.057 19.188 46.309 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 75.944 26.148 58.878 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 76.808 26.399 59.206 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 76.050 25.240 58.594 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 47.254 82.264 13.075 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 47.037 81.948 13.952 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 48.101 81.865 12.878 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 27.783 94.500 19.104 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 27.221 93.737 18.966 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 28.524 94.164 19.607 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 82.038 80.283 -2.301 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 82.881 80.649 -2.032 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 81.877 79.571 -1.681 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 76.132 11.926 -10.338 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 75.228 11.675 -10.526 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 76.184 12.847 -10.595 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 63.698 78.306 53.821 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 63.536 78.744 52.985 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 62.838 77.986 54.095 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 29.236 6.617 53.436 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 29.168 7.012 52.567 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 29.332 5.680 53.267 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 40.540 50.641 -6.169 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 41.490 50.590 -6.068 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 40.215 50.825 -5.287 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 29.204 90.416 42.703 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 28.385 90.359 43.195 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 29.847 89.970 43.255 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 25.888 78.549 52.322 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 25.613 79.446 52.133 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 25.674 78.060 51.528 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 88.230 55.070 52.396 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 88.648 54.713 51.611 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 88.953 55.429 52.910 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 83.979 84.782 51.839 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 83.265 85.120 51.297 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 84.341 84.055 51.332 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 87.260 3.107 57.224 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 87.312 4.063 57.225 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 86.660 2.899 57.940 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 39.011 65.863 18.384 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 39.768 65.671 17.830 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 38.421 65.121 18.250 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 76.547 66.806 -12.230 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 77.001 67.402 -11.634 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 76.208 66.112 -11.664 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 39.951 85.127 51.707 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 39.360 85.876 51.785 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 40.581 85.244 52.418 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 29.169 87.176 38.666 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 28.257 87.223 38.376 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 29.320 86.245 38.831 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 34.318 36.877 59.215 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 34.820 36.408 59.882 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 34.130 37.728 59.610 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 59.210 4.293 6.485 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 59.523 4.705 7.291 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 59.773 4.649 5.799 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 58.508 72.694 32.630 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 58.133 72.219 31.889 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 57.988 72.413 33.383 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 23.595 63.017 31.850 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 23.347 62.732 32.729 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 24.471 62.655 31.718 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 82.450 53.172 -16.202 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 83.049 52.935 -15.494 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 81.657 53.471 -15.757 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 41.609 53.765 42.977 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 40.774 54.142 42.700 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 42.174 54.522 43.130 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 82.300 92.847 -12.084 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 82.739 92.809 -11.234 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 82.294 91.941 -12.393 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 41.021 77.439 -17.692 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 41.016 76.493 -17.548 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 41.720 77.581 -18.330 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 35.691 79.945 -19.000 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 34.968 80.003 -19.625 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 36.033 80.838 -18.946 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 89.233 21.518 46.958 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 88.666 21.747 47.694 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 88.750 20.841 46.485 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 72.869 29.226 -14.024 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 73.419 29.254 -14.807 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 72.462 30.092 -13.985 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 61.558 23.257 43.411 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 60.633 23.412 43.221 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 61.978 24.105 43.266 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 63.352 78.738 58.342 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 63.340 77.784 58.424 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 62.446 78.973 58.144 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 28.420 40.286 -3.635 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 28.826 40.908 -4.239 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 27.546 40.643 -3.475 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 70.694 48.851 21.861 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 70.998 47.945 21.806 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 70.992 49.151 22.720 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 25.742 50.073 -6.416 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 25.005 50.567 -6.055 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 26.077 50.624 -7.123 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 49.223 94.345 -4.102 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 48.964 94.804 -3.303 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 49.535 93.493 -3.798 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 45.081 49.869 -2.483 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 45.552 49.588 -1.698 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 44.327 50.355 -2.150 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 43.086 56.109 42.725 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 43.891 56.626 42.695 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 42.531 56.489 42.043 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 35.678 4.436 55.505 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 35.621 3.918 56.308 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 36.055 5.271 55.784 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 63.648 18.502 53.673 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 63.787 17.675 53.213 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 63.316 19.098 53.001 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 63.582 77.156 15.999 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 63.536 76.289 15.595 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 62.777 77.225 16.512 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 25.144 94.732 -13.565 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 25.160 95.521 -14.107 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 25.348 94.020 -14.172 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 44.252 95.630 -6.187 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 44.922 94.964 -6.034 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 43.436 95.136 -6.267 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 49.755 14.874 14.776 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 50.026 15.787 14.877 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 49.778 14.517 15.664 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 56.821 74.418 64.325 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 56.491 75.290 64.108 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 56.201 73.817 63.913 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 28.392 28.274 20.850 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 28.024 29.140 20.677 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 29.027 28.137 20.146 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 81.890 92.364 10.368 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 82.123 93.235 10.047 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 81.256 92.035 9.731 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 21.909 2.249 20.419 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 21.352 2.275 21.197 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 21.379 1.802 19.759 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 42.656 74.115 -1.811 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 42.258 74.907 -1.451 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 42.390 73.419 -1.210 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 34.283 79.405 26.867 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 35.049 79.566 26.316 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 33.981 80.278 27.118 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 53.398 25.741 55.300 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 53.699 26.342 54.619 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 52.567 25.399 54.968 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 86.831 33.951 -10.049 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 86.459 33.192 -9.601 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 87.726 34.012 -9.714 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 86.390 10.177 0.622 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 87.328 9.992 0.657 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 86.335 11.130 0.556 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 39.912 85.317 7.077 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 40.808 85.537 6.823 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 39.798 84.410 6.794 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 31.275 88.086 -12.885 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 30.326 87.976 -12.822 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 31.426 89.004 -12.662 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 25.218 84.562 30.476 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 24.332 84.576 30.838 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 25.608 83.763 30.829 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 27.560 90.274 5.481 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 28.347 90.635 5.073 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 27.629 90.527 6.401 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 31.108 25.855 34.144 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 30.979 24.928 34.346 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 30.954 25.919 33.202 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 25.954 95.708 66.157 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 26.905 95.812 66.139 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 25.649 96.395 66.751 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 30.330 33.797 -11.846 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 30.731 34.352 -12.515 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 29.711 34.373 -11.396 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 85.038 72.790 56.297 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 85.800 72.212 56.328 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 85.295 73.494 55.701 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 68.620 18.685 43.144 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 69.224 17.954 43.015 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 67.784 18.369 42.801 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 82.145 13.033 63.064 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 81.785 13.059 63.951 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 81.563 13.596 62.553 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 57.005 86.858 43.741 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 56.553 87.328 44.442 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 56.354 86.239 43.408 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 43.093 36.363 14.659 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 43.423 35.679 14.077 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 42.967 35.923 15.500 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 43.198 77.701 3.706 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 42.571 78.095 4.312 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 44.034 77.734 4.171 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 87.990 32.316 40.110 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 87.346 32.866 40.557 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 87.613 31.436 40.135 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 56.913 68.827 5.738 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 57.113 69.571 6.305 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 56.226 68.349 6.203 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 28.561 13.334 36.817 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 27.983 13.510 36.074 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 29.220 12.732 36.471 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 64.001 3.250 35.407 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 64.675 3.850 35.725 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 63.645 3.679 34.629 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 54.253 62.496 15.505 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 53.790 61.842 16.029 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 54.572 62.012 14.743 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 81.788 12.734 39.658 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 82.141 12.811 40.545 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 82.553 12.564 39.109 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 56.000 70.178 56.303 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 55.046 70.246 56.327 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 56.182 69.614 55.552 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 75.280 21.787 8.386 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 75.226 21.916 7.439 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 75.162 20.845 8.507 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 73.514 44.548 -18.706 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 72.820 45.200 -18.808 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 74.204 44.837 -19.302 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 27.385 71.804 64.289 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 26.950 71.358 63.562 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 26.674 72.041 64.884 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 59.626 78.978 -10.108 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 60.554 78.959 -10.339 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 59.615 78.922 -9.153 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 42.844 4.128 24.853 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 42.367 3.349 24.567 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 43.691 4.067 24.411 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 80.398 61.719 30.787 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 81.059 62.374 30.560 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 79.980 62.064 31.576 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 47.829 24.294 5.899 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 48.616 24.232 6.440 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 47.135 24.539 6.511 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 35.293 71.848 -0.397 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 34.913 71.226 0.224 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 35.820 72.436 0.144 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 40.013 83.206 25.727 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 40.565 83.580 25.041 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 39.329 82.733 25.254 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 31.281 3.733 -2.233 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 32.238 3.721 -2.200 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 31.069 4.514 -2.745 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 40.411 28.832 39.679 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 41.025 28.922 38.950 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 39.776 28.181 39.379 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 61.122 18.106 58.566 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 60.476 18.633 58.095 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 60.842 18.144 59.480 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 21.522 28.471 16.029 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 20.942 27.843 16.459 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 22.163 27.930 15.569 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 63.439 79.831 29.257 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 62.891 79.459 29.948 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 64.318 79.503 29.444 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 51.851 12.962 -16.387 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 52.355 13.153 -17.178 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 51.047 12.553 -16.708 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 45.910 40.748 -16.231 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 46.117 40.274 -15.426 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 44.972 40.926 -16.171 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 40.192 26.186 -6.024 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 40.734 25.981 -5.262 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 40.810 26.516 -6.676 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 51.168 93.302 35.831 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 50.620 92.556 35.585 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 51.258 93.810 35.025 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 62.174 3.312 10.842 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 61.425 3.332 10.247 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 62.444 2.394 10.857 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 74.010 96.349 11.609 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 73.612 96.322 10.738 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 74.822 95.852 11.516 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 35.535 80.959 23.264 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 35.821 80.748 24.153 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 34.945 80.244 23.026 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 42.517 80.085 37.030 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 43.466 80.088 36.906 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 42.159 80.173 36.146 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 54.014 81.335 -13.116 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 53.829 81.250 -14.052 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 53.163 81.227 -12.692 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 69.305 18.805 0.305 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 69.832 19.428 -0.195 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 69.523 18.986 1.220 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 51.002 22.274 59.972 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 51.756 22.818 60.202 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 51.291 21.378 60.147 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 80.849 9.414 -8.038 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 80.030 9.908 -8.004 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 81.383 9.788 -7.336 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 41.423 82.682 63.410 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 41.853 82.854 62.572 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 40.534 82.418 63.173 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 80.300 92.770 30.004 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 80.343 93.724 29.929 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 79.385 92.557 29.820 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 39.597 34.044 4.061 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 39.446 33.986 5.004 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 40.250 34.737 3.965 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 69.096 40.458 60.292 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 68.222 40.504 60.679 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 69.427 41.355 60.341 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 32.995 16.455 12.486 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 33.674 15.888 12.852 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 32.619 16.900 13.246 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 22.457 93.006 46.916 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 22.646 92.226 46.394 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 23.314 93.403 47.072 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 84.042 23.971 34.836 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 83.523 23.380 34.290 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 84.947 23.685 34.706 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 56.604 24.276 38.362 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 56.610 24.046 37.432 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 57.105 23.578 38.784 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 38.615 26.821 -8.179 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 38.206 26.127 -7.664 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 39.547 26.600 -8.183 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 82.530 29.982 61.359 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 83.004 29.639 60.601 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 82.800 30.899 61.417 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 36.729 93.181 32.240 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 37.542 92.677 32.288 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 36.854 93.767 31.494 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 54.137 34.580 -2.077 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 53.374 34.679 -2.646 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 54.235 33.634 -1.971 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 32.045 35.135 29.049 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 31.242 34.885 29.506 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 31.761 35.778 28.399 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 35.481 86.724 40.059 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 36.385 86.756 39.746 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 35.054 86.081 39.493 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 29.388 33.592 44.571 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 30.342 33.627 44.638 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 29.076 34.043 45.356 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 36.790 52.320 -11.728 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 37.207 51.466 -11.847 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 37.024 52.579 -10.837 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 75.959 87.175 50.250 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 75.779 88.013 49.824 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 76.844 87.269 50.601 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 75.805 56.140 18.115 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 75.643 56.632 18.920 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 74.934 55.902 17.800 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 47.432 11.485 28.720 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 47.172 12.390 28.894 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 47.137 11.318 27.824 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 36.440 73.343 -4.149 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 36.670 74.178 -4.557 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 36.965 72.694 -4.618 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 54.195 54.150 -17.208 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 54.144 53.869 -16.295 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 54.051 53.350 -17.714 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 29.467 6.084 5.540 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 30.003 5.570 6.145 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 29.704 6.993 5.724 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 51.054 40.485 36.839 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 50.643 40.687 37.680 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 50.641 41.087 36.220 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 55.507 6.294 41.860 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 56.246 6.645 42.357 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 54.817 6.950 41.961 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 72.183 22.843 -9.171 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 72.093 22.144 -8.524 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 72.418 22.391 -9.982 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 41.741 85.465 37.079 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 42.088 84.574 37.108 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 40.940 85.394 36.561 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 59.569 4.330 18.937 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 60.098 4.435 18.146 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 58.709 4.056 18.616 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 68.638 70.878 19.215 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 67.898 70.292 19.374 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 69.274 70.339 18.744 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 53.470 88.506 65.516 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 54.280 88.112 65.840 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 53.337 88.108 64.655 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 36.066 20.771 -2.482 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 35.549 20.192 -1.921 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 36.578 21.301 -1.872 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 77.315 28.976 8.024 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 78.018 28.327 8.042 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 76.588 28.554 8.482 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 30.067 90.669 -11.517 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 29.363 90.561 -10.878 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 30.864 90.447 -11.036 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 30.180 35.945 -0.662 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 29.835 36.520 -1.345 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 31.110 35.858 -0.869 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 65.407 48.430 11.489 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 64.897 47.632 11.626 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 65.325 48.912 12.312 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 29.585 77.301 7.117 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 30.338 77.173 7.695 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 28.824 77.173 7.683 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 83.520 30.741 44.162 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 83.462 30.347 45.033 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 84.307 31.285 44.197 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 85.180 40.440 31.085 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 86.033 40.006 31.071 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 84.727 40.056 31.836 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 21.875 28.051 48.824 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 21.730 28.786 48.228 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 22.212 27.351 48.265 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 77.334 76.615 60.911 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 76.857 75.873 61.283 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 78.254 76.353 60.950 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 62.051 17.006 41.255 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 61.726 16.507 40.507 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 62.978 17.150 41.063 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 63.774 0.162 -10.833 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 63.187 0.869 -10.565 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 63.317 -0.269 -11.555 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 51.362 5.797 -1.980 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 50.946 6.187 -1.211 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 50.811 5.045 -2.196 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 83.729 39.774 63.145 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 83.246 40.446 63.627 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 83.715 39.009 63.719 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 55.236 77.745 32.260 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 55.353 76.851 32.580 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 54.460 77.701 31.701 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 54.802 6.330 26.735 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 54.839 6.408 25.782 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 55.449 6.959 27.053 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 40.652 15.648 18.964 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 41.231 16.324 19.316 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 40.425 15.958 18.088 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 68.152 36.041 5.000 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 67.362 36.093 5.538 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 68.632 36.844 5.202 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 51.509 1.135 1.683 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 51.525 2.091 1.652 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 52.376 0.891 2.007 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 39.612 82.806 6.347 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 38.915 82.153 6.294 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 39.882 82.795 7.266 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 70.222 33.924 20.507 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 70.609 34.781 20.329 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 69.426 33.904 19.976 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 61.675 7.224 4.218 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 62.053 8.003 4.626 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 60.973 7.561 3.661 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 38.750 54.801 55.407 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 38.222 55.450 55.872 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 38.901 54.109 56.050 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 85.799 91.515 22.010 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 85.739 90.588 21.780 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 84.945 91.877 21.776 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 37.334 86.064 6.666 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 38.239 85.774 6.781 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 37.389 86.776 6.028 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 37.895 20.167 53.503 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 37.733 21.082 53.734 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 38.321 20.208 52.647 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 75.646 30.625 -5.607 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 75.627 29.900 -6.230 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 75.545 30.209 -4.751 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 78.346 28.754 1.767 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 77.688 29.399 1.506 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 78.119 28.534 2.671 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 40.230 59.169 51.411 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 40.806 59.673 50.837 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 40.475 58.256 51.256 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 55.780 91.047 22.915 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 54.905 91.077 22.528 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 55.790 91.767 23.544 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 31.567 19.453 65.159 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 32.474 19.755 65.206 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 31.219 19.600 66.038 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 33.764 7.433 43.363 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 33.894 8.295 43.758 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 34.237 7.476 42.532 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 59.987 12.148 28.655 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 60.414 11.374 29.021 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 60.507 12.367 27.883 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 85.287 28.397 -16.088 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 85.054 29.270 -16.404 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 84.484 28.065 -15.686 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 63.332 9.287 11.696 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 63.365 8.714 10.930 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 62.397 9.430 11.848 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 22.765 7.101 13.567 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 22.925 7.523 14.411 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 23.490 6.484 13.466 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 40.850 33.486 -17.103 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 40.717 34.383 -17.408 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 41.763 33.464 -16.815 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 83.789 21.453 11.161 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 82.877 21.170 11.107 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 83.766 22.234 11.715 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 63.007 30.528 -1.652 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 63.433 29.976 -0.996 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 63.187 31.424 -1.366 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 75.072 90.315 26.372 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 74.393 89.946 26.937 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 74.931 91.260 26.412 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 55.205 17.846 10.145 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 54.485 17.971 9.526 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 55.777 17.207 9.721 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 24.436 32.703 -16.411 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 23.968 32.849 -15.590 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 25.158 33.330 -16.391 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 21.464 93.853 42.227 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 21.370 93.947 41.280 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 21.716 92.938 42.354 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 69.504 44.084 55.448 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 69.260 44.463 56.292 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 68.728 44.198 54.900 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 29.004 65.030 -9.874 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 28.855 64.218 -9.389 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 29.646 64.795 -10.544 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 36.558 44.438 -0.356 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 37.046 45.042 0.204 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 37.205 43.785 -0.624 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 90.122 5.941 -0.243 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 89.685 5.793 -1.081 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 90.926 5.423 -0.296 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 81.228 54.897 61.620 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 81.527 55.805 61.670 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 80.339 54.955 61.272 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 84.711 5.118 9.228 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 84.748 5.623 8.416 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 83.776 5.026 9.411 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 58.135 36.628 11.287 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 58.273 37.513 10.948 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 57.348 36.699 11.828 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 36.378 19.074 -13.671 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 35.559 18.717 -14.014 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 36.120 19.879 -13.222 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 23.832 54.375 20.769 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 24.611 54.164 21.284 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 23.902 53.823 19.990 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 43.230 11.153 39.522 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 43.592 11.346 40.387 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 43.915 10.649 39.082 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 88.103 86.073 13.698 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 88.514 86.914 13.496 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 88.676 85.423 13.293 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 48.609 35.254 64.286 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 49.466 35.096 63.890 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 48.621 36.181 64.523 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 47.251 22.485 -1.373 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 46.473 22.164 -0.915 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 47.447 23.323 -0.954 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 48.964 8.096 49.676 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 48.740 8.861 49.146 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 48.155 7.882 50.142 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 53.855 33.299 38.834 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 54.275 34.137 39.029 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 53.877 33.237 37.879 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 54.488 42.321 42.056 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 54.465 41.383 42.246 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 54.435 42.740 42.914 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 89.307 54.284 17.699 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 88.454 54.618 17.978 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 89.414 53.466 18.185 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 51.902 2.634 -13.788 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 51.709 3.550 -13.987 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 52.295 2.656 -12.916 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 72.621 7.453 55.697 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 71.863 7.727 55.179 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 72.733 8.148 56.345 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 46.771 60.523 55.432 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 46.227 61.302 55.549 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 46.838 60.417 54.483 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 42.094 53.077 56.861 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 42.833 53.416 57.367 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 42.374 53.150 55.949 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 77.008 59.004 32.594 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 76.533 59.834 32.617 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 77.583 59.078 31.833 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 41.857 14.784 10.070 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 42.676 14.651 9.593 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 41.324 14.021 9.849 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 77.149 93.694 25.490 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 77.046 93.458 24.568 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 76.253 93.775 25.818 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 83.341 61.448 57.021 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 82.436 61.416 56.712 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 83.440 60.663 57.559 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 43.063 46.871 37.892 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 42.892 47.318 37.063 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 42.208 46.821 38.318 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 38.633 0.756 2.750 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 37.744 0.977 2.470 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 38.566 0.653 3.699 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 69.235 54.411 17.625 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 69.256 53.599 17.119 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 68.303 54.594 17.746 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 25.989 73.546 20.085 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 25.830 72.778 20.634 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 26.772 73.323 19.581 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 71.846 44.832 -9.203 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 72.453 44.730 -8.470 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 71.432 43.974 -9.294 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 78.107 58.680 -15.390 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 77.774 59.562 -15.226 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 77.578 58.115 -14.827 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 57.012 14.364 -17.302 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 57.369 13.554 -16.938 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 57.700 15.014 -17.160 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 87.781 19.695 45.636 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 86.882 19.389 45.516 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 88.305 19.129 45.068 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 63.296 1.768 31.851 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 63.511 2.082 30.973 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 63.007 0.865 31.720 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 29.226 43.511 24.467 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 29.748 43.119 25.167 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 28.866 44.309 24.854 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 42.409 66.941 -10.534 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 42.338 65.994 -10.655 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 43.058 67.046 -9.838 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 64.925 83.264 15.915 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 64.120 83.422 16.409 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 65.234 82.413 16.227 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 81.980 67.635 25.758 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 82.264 66.764 25.480 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 81.501 67.483 26.573 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 28.802 16.074 11.020 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 28.733 16.893 10.530 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 28.962 16.347 11.923 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 31.998 75.161 46.349 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 31.745 75.733 47.074 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 32.727 75.615 45.927 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 70.966 45.898 5.207 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 70.846 46.157 6.120 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 71.126 44.955 5.244 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 23.890 38.289 11.328 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 23.114 38.048 11.835 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 23.576 38.946 10.706 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 60.755 91.233 -14.031 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 59.885 91.484 -13.719 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 61.306 91.255 -13.249 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 69.060 18.292 8.454 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 69.140 18.649 9.338 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 68.132 18.383 8.241 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 42.095 51.302 -1.276 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 41.465 50.837 -0.726 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 41.866 52.226 -1.174 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 50.825 26.798 33.854 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 50.904 26.534 32.937 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 50.904 27.752 33.835 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 57.548 55.820 62.246 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 57.131 56.681 62.270 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 58.468 56.004 62.056 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 43.871 8.189 32.643 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 43.925 7.538 33.343 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 43.558 7.698 31.883 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 51.054 46.561 1.253 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 51.130 45.738 1.737 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 51.948 46.763 0.979 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 29.731 29.326 44.264 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 30.461 29.563 44.837 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 29.998 28.498 43.864 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 49.786 94.818 21.738 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 49.986 93.952 22.094 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 50.120 94.793 20.842 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 34.772 10.922 8.538 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 34.843 11.614 7.881 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 35.215 11.276 9.309 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 23.440 51.648 -8.131 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 22.755 50.998 -8.288 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 23.042 52.482 -8.382 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 62.803 95.565 -15.876 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 61.915 95.215 -15.950 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 63.348 94.801 -15.688 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 70.727 13.278 43.212 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 70.779 12.904 42.333 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 70.611 12.523 43.788 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 79.342 31.378 49.184 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 79.768 32.216 49.364 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 79.936 30.723 49.549 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 61.277 20.815 13.344 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 61.921 20.288 12.871 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 60.479 20.746 12.820 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 26.185 29.777 -16.584 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 25.781 30.513 -17.045 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 25.475 29.399 -16.066 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 22.488 17.592 66.586 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 21.598 17.922 66.705 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 22.847 18.122 65.873 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 35.517 35.384 13.686 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 35.824 35.899 12.940 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 35.615 35.969 14.438 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 52.284 46.307 43.318 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 52.054 45.892 42.487 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 51.529 46.855 43.530 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 58.112 58.185 -17.847 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 58.858 58.123 -17.250 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 57.709 57.318 -17.819 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 27.697 35.963 22.980 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 27.494 36.793 22.548 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 28.329 35.539 22.399 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 30.827 84.849 15.346 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 31.044 83.966 15.045 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 30.516 84.727 16.243 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 28.689 77.557 31.212 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 28.338 77.280 30.365 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 29.552 77.916 31.007 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 38.061 54.814 -16.923 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 38.438 54.801 -16.043 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 38.729 55.233 -17.465 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 41.973 21.771 47.133 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 41.567 21.202 46.479 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 42.477 22.404 46.621 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 55.820 41.765 -9.978 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 55.243 42.470 -9.684 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 55.339 41.343 -10.690 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 71.569 36.941 16.584 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 70.955 36.207 16.563 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 71.022 37.715 16.447 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 34.998 50.770 49.097 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 35.884 50.906 49.432 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 34.665 51.652 48.935 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 22.635 61.141 29.933 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 23.233 61.683 30.446 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 21.954 61.747 29.640 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 24.631 2.212 53.923 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 24.821 1.367 53.516 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 24.005 2.628 53.330 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 28.893 47.173 -9.930 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 28.193 47.508 -10.490 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 28.918 47.779 -9.189 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 66.307 69.547 49.604 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 66.650 68.940 48.948 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 66.349 69.059 50.426 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 62.429 36.303 16.642 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 61.890 35.513 16.606 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 61.801 37.018 16.744 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 89.227 4.689 64.746 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 89.328 5.582 64.415 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 90.121 4.353 64.806 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 77.606 61.040 65.873 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 77.122 61.037 66.699 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 76.975 60.727 65.224 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 54.304 39.402 11.694 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 53.598 38.866 12.055 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 54.539 39.999 12.404 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 71.883 46.226 17.062 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 71.410 45.739 16.387 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 71.433 46.005 17.878 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 64.850 46.341 23.528 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 64.648 46.395 22.594 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 64.639 47.210 23.869 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 30.619 73.371 17.368 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 30.839 73.486 18.292 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 31.263 73.901 16.899 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 68.599 23.843 44.066 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 68.362 24.722 43.770 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 69.485 23.707 43.728 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 79.274 4.578 41.117 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 78.878 5.410 40.855 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 79.815 4.325 40.369 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 77.982 55.288 60.736 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 77.279 55.149 61.370 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 77.978 56.232 60.576 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 74.725 43.689 64.440 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 73.832 43.535 64.748 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 74.617 44.043 63.557 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 47.020 1.481 27.838 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 46.835 0.603 28.173 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 46.178 1.794 27.507 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 67.772 75.907 19.812 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 68.515 76.006 19.216 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 67.230 75.228 19.409 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 32.450 67.751 3.328 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 31.675 68.261 3.562 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 32.104 66.904 3.046 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 36.621 5.306 64.786 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 36.956 4.649 65.395 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 36.272 5.998 65.348 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 83.286 3.732 38.815 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 83.011 4.609 38.547 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 84.201 3.836 39.076 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 41.287 21.091 -3.120 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 41.414 20.187 -3.409 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 41.528 21.083 -2.194 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 33.324 55.244 23.304 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 33.675 54.406 23.003 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 33.550 55.862 22.609 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 39.684 60.925 47.121 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 40.548 60.908 47.532 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 39.853 60.731 46.199 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 44.268 5.447 28.559 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 43.564 5.946 28.974 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 44.983 5.467 29.195 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 57.421 39.157 35.113 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 56.720 38.532 35.301 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 58.187 38.611 34.933 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 32.310 45.837 62.727 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 33.098 46.315 62.984 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 32.275 45.092 63.327 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 42.275 72.069 4.866 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 41.483 71.585 4.634 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 42.764 71.472 5.433 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 69.722 83.552 18.886 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 69.460 82.737 19.314 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 69.029 83.722 18.248 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 42.747 8.809 58.439 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 42.381 9.337 59.149 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 43.657 9.098 58.369 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 61.210 60.028 27.231 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 61.362 59.786 26.317 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 60.307 60.343 27.248 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 50.682 38.771 26.252 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 50.187 37.975 26.449 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 50.689 38.818 25.296 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 37.920 29.660 55.636 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 38.113 28.810 55.240 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 37.627 29.450 56.522 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 60.061 24.837 27.129 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 60.417 25.649 27.489 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 59.879 25.040 26.212 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 24.425 37.269 24.332 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 25.106 37.869 24.635 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 24.258 37.534 23.427 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 53.764 33.435 15.670 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 52.852 33.582 15.921 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 54.058 32.724 16.239 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 62.716 38.889 -15.428 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 63.330 38.412 -15.987 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 62.225 38.204 -14.973 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 67.277 3.959 37.038 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 67.662 3.268 36.499 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 67.531 4.773 36.604 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 27.581 34.773 33.534 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 27.745 35.174 34.388 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 27.431 35.513 32.946 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 52.002 46.614 56.491 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 52.253 47.465 56.133 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 52.809 46.267 56.873 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 72.141 58.670 33.106 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 71.379 58.174 32.809 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 71.854 59.088 33.918 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 58.563 41.742 35.268 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 59.470 41.553 35.508 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 58.339 42.524 35.772 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 49.008 78.747 55.498 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 48.390 79.412 55.197 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 49.522 78.527 54.721 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 70.386 65.699 -9.009 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 70.296 66.604 -9.307 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 69.935 65.678 -8.165 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 28.314 32.192 34.829 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 28.372 33.124 34.621 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 27.410 31.955 34.619 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 67.856 25.222 17.350 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 67.277 24.869 16.675 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 67.577 24.788 18.157 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 76.107 91.861 -18.599 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 76.723 91.668 -19.306 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 76.631 91.796 -17.800 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 74.645 67.674 34.471 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 74.606 67.551 33.523 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 73.731 67.645 34.754 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 32.202 64.675 21.156 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 32.627 65.525 21.276 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 32.918 64.041 21.194 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 58.087 49.412 33.371 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 57.267 49.536 32.892 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 58.738 49.891 32.858 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 78.135 58.203 57.686 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 78.424 59.107 57.811 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 78.038 58.110 56.739 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 46.476 49.058 6.198 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 47.348 48.761 6.455 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 46.632 49.862 5.702 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 28.976 47.343 -14.570 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 28.307 47.661 -13.964 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 29.141 46.441 -14.294 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 52.856 25.623 0.330 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 52.254 26.220 0.775 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 53.667 25.679 0.835 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 27.280 30.901 23.726 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 27.215 30.024 23.348 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 26.968 31.484 23.033 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 42.521 32.044 42.994 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 41.974 32.476 43.650 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 42.604 32.687 42.290 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 46.185 61.877 50.596 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 45.566 62.606 50.623 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 46.664 61.998 49.776 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 36.787 48.820 24.563 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 37.702 48.658 24.791 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 36.293 48.188 25.085 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 52.520 42.200 49.106 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 52.541 43.028 49.586 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 51.810 42.308 48.473 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 90.151 22.691 -6.738 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 90.719 22.092 -7.224 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 90.653 23.504 -6.682 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 87.375 18.363 63.307 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 87.217 17.661 62.675 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 87.146 17.979 64.153 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 26.243 23.736 42.303 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 26.777 23.005 42.615 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 26.264 24.371 43.018 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 81.031 43.561 44.054 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 80.651 44.301 44.526 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 80.288 42.986 43.870 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 72.564 28.555 36.385 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 72.119 29.389 36.230 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 71.881 27.894 36.269 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 66.781 66.684 64.877 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 66.181 66.237 64.280 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 66.345 67.511 65.082 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 25.840 18.780 -10.012 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 25.292 18.021 -10.213 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 26.266 18.994 -10.842 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 22.710 90.257 53.552 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 22.334 91.011 54.007 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 22.251 89.502 53.919 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 82.400 80.792 61.011 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 82.751 80.315 60.259 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 81.587 80.335 61.227 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 35.225 43.626 16.805 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 34.965 44.290 17.443 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 36.176 43.567 16.893 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 87.985 77.377 44.137 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 88.123 77.741 45.011 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 88.784 77.595 43.657 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 25.728 2.054 15.350 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 26.044 2.646 16.032 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 25.985 2.474 14.529 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 72.117 58.477 61.837 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 71.357 58.800 62.321 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 71.744 57.994 61.099 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 50.895 33.050 19.381 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 51.221 33.842 19.808 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 49.973 33.003 19.633 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 67.797 85.732 35.969 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 67.051 85.686 35.372 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 67.428 85.538 36.831 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 51.724 87.366 37.472 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 51.838 86.803 36.706 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 50.945 87.022 37.909 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 77.563 45.989 46.139 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 77.764 46.372 46.993 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 77.189 46.712 45.634 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 39.702 85.318 34.620 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 40.411 84.678 34.553 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 39.566 85.619 33.721 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 27.249 29.363 -7.693 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 28.146 29.320 -8.024 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 27.315 29.877 -6.888 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 87.253 27.571 34.683 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 86.315 27.407 34.775 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 87.336 28.024 33.844 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 32.413 2.057 11.620 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 32.226 2.978 11.435 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 31.911 1.574 10.964 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 61.181 24.862 -8.368 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 60.578 25.572 -8.585 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 60.634 24.077 -8.355 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 77.604 58.503 23.655 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 76.730 58.168 23.452 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 78.191 57.771 23.468 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 54.437 95.577 1.076 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 53.990 94.988 1.684 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 54.661 96.343 1.604 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 54.173 50.077 18.462 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 54.757 50.424 19.136 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 53.704 49.364 18.894 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 44.527 48.514 -8.905 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 43.691 48.415 -8.448 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 44.318 49.049 -9.671 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 27.593 2.323 22.131 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 27.818 1.468 22.499 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 27.175 2.122 21.294 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 64.341 74.482 31.458 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 63.575 74.092 31.880 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 64.233 74.277 30.529 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 80.695 17.320 56.270 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 79.963 17.922 56.406 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 80.311 16.576 55.806 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 58.391 17.621 12.555 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 58.796 16.783 12.778 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 57.781 17.792 13.272 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 84.964 28.629 11.028 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 84.606 28.184 10.261 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 85.908 28.653 10.873 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 35.611 89.965 42.101 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 35.167 89.145 42.320 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 35.586 90.003 41.145 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 54.511 3.585 -10.451 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 55.198 3.307 -11.057 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 54.680 3.086 -9.652 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 76.866 35.399 27.219 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 75.941 35.393 27.464 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 77.167 36.280 27.439 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 85.790 90.654 37.425 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 86.068 90.360 38.292 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 86.591 90.976 37.011 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 22.930 42.171 29.795 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 23.303 42.386 30.650 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 21.989 42.306 29.903 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 63.388 14.307 44.438 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 62.551 14.394 43.981 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 63.817 15.154 44.315 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 32.801 42.043 -11.220 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 32.998 42.709 -10.562 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 32.101 41.520 -10.830 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 24.882 32.638 3.475 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 24.692 32.772 4.403 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 25.768 32.981 3.359 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 47.387 80.419 17.876 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 47.379 79.755 18.566 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 46.475 80.481 17.593 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 85.147 9.470 44.753 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 85.075 9.624 45.695 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 84.699 8.636 44.611 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 40.493 3.637 -19.287 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 40.733 4.183 -18.539 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 41.024 3.972 -20.009 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 87.582 78.703 -5.791 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 86.891 79.354 -5.907 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 87.707 78.327 -6.663 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 44.041 39.444 46.189 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 43.275 39.839 45.772 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 44.705 40.134 46.173 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 82.917 52.058 4.222 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 83.398 52.027 3.395 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 82.476 52.908 4.211 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 34.450 43.448 60.392 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 34.593 44.267 59.919 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 34.674 42.764 59.761 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 77.990 11.500 60.988 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 78.905 11.235 60.891 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 77.971 12.002 61.803 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 60.836 92.995 12.321 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 60.318 92.190 12.312 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 60.232 93.672 12.017 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 51.988 91.076 -8.433 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 52.846 90.731 -8.682 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 51.975 91.022 -7.478 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 40.269 13.474 0.852 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 40.581 12.628 0.531 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 40.020 13.309 1.761 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 79.640 8.843 35.236 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 79.781 7.974 34.861 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 80.478 9.292 35.123 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 63.812 66.109 -14.040 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 63.632 65.665 -14.869 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 63.498 67.003 -14.173 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 38.046 70.830 15.401 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 38.054 70.777 14.446 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 38.763 71.428 15.614 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 45.097 6.809 36.797 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 44.979 7.739 36.991 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 46.041 6.709 36.673 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 47.889 15.796 -10.329 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 47.782 16.536 -10.927 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 47.022 15.392 -10.290 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 48.770 13.145 -10.485 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 48.525 14.069 -10.531 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 49.452 13.111 -9.814 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 44.631 81.310 47.247 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 43.940 81.870 46.893 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 44.173 80.526 47.549 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 56.584 88.855 3.731 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 56.222 88.577 2.890 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 55.934 88.577 4.376 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 47.490 84.236 51.026 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 46.988 83.893 51.765 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 48.035 83.501 50.745 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 86.420 48.089 62.879 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 85.990 48.505 63.626 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 86.491 48.784 62.225 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 31.799 33.533 17.768 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 32.614 33.947 18.053 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 31.498 33.044 18.534 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 51.862 34.550 57.284 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 51.543 33.952 57.960 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 51.496 34.207 56.469 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 59.224 82.453 -5.358 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 58.901 81.637 -4.976 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 58.524 83.086 -5.198 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 42.682 41.050 65.276 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 41.810 40.870 65.629 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 43.187 41.358 66.029 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 74.380 24.106 -6.121 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 73.785 24.766 -6.478 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 74.041 23.274 -6.451 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 67.077 29.458 18.337 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 66.413 29.529 17.651 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 66.659 28.937 19.022 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 90.411 22.984 -3.459 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 90.168 23.909 -3.500 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 90.908 22.830 -4.262 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 55.611 15.201 21.560 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 55.232 14.626 20.895 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 55.220 16.057 21.388 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 49.578 5.667 18.813 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 49.029 5.983 18.095 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 49.994 6.455 19.161 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 73.825 7.023 5.954 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 73.626 6.179 6.360 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 74.710 7.231 6.256 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 78.507 31.711 60.376 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 79.156 31.842 59.685 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 78.347 32.588 60.724 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 57.444 60.276 -3.436 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 56.888 61.005 -3.712 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 56.995 59.906 -2.676 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 30.464 18.128 20.540 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 29.926 18.919 20.578 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 29.990 17.491 21.074 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 30.337 26.952 22.307 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 29.610 27.454 21.939 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 30.279 26.097 21.881 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 88.723 80.786 32.970 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 88.248 81.612 32.876 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 88.446 80.263 32.219 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 74.003 28.825 20.968 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 73.830 28.029 20.467 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 73.135 29.158 21.197 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 67.774 15.024 -2.100 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 67.537 15.271 -2.994 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 68.520 15.584 -1.886 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 59.750 14.740 27.035 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 58.841 14.572 27.283 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 59.723 14.851 26.085 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 78.377 47.330 29.153 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 77.780 46.651 28.838 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 79.234 46.903 29.178 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 24.751 8.513 66.037 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 24.377 7.893 66.663 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 24.996 7.975 65.284 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 36.275 27.297 8.049 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 35.972 27.232 8.954 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 35.485 27.491 7.545 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 68.599 36.617 32.434 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 69.117 37.119 31.806 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 67.721 36.996 32.378 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 24.998 5.549 -3.227 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 24.857 6.487 -3.359 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 24.463 5.128 -3.899 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 52.896 4.849 -7.979 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 52.958 4.004 -8.423 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 52.283 5.356 -8.511 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 86.047 89.401 53.178 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 86.520 89.098 53.952 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 85.154 89.079 53.301 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 42.270 13.724 21.772 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 42.214 14.678 21.818 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 42.835 13.553 21.018 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 88.568 5.224 34.252 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 87.647 5.472 34.172 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 89.043 6.055 34.238 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 55.557 96.016 32.339 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 54.962 96.021 31.589 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 55.053 95.607 33.042 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 30.525 7.647 56.316 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 30.093 7.055 55.700 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 31.410 7.295 56.407 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 65.457 77.139 61.412 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 64.656 76.801 61.811 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 65.218 78.009 61.092 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 46.688 11.014 55.684 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 46.895 11.738 55.093 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 45.898 11.297 56.143 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 46.403 31.510 44.586 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 46.705 31.675 43.693 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 47.206 31.453 45.104 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 69.935 65.836 -13.457 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 69.297 65.998 -12.762 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 69.415 65.497 -14.186 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 66.461 79.645 48.511 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 66.866 80.363 48.024 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 66.967 78.871 48.265 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 48.512 32.999 55.732 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 48.157 33.591 55.068 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 49.460 33.035 55.603 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 58.891 5.320 -10.250 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 59.818 5.262 -10.020 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 58.458 4.705 -9.657 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 75.218 7.436 45.153 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 75.994 7.808 44.735 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 75.407 6.501 45.222 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 32.550 47.475 54.511 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 33.274 47.825 53.990 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 32.480 48.071 55.256 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 29.807 30.614 41.911 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 29.261 30.349 41.171 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 29.490 30.084 42.643 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 47.994 68.404 5.047 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 48.410 67.715 5.564 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 47.845 69.116 5.670 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 47.493 64.839 59.875 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 47.618 64.038 59.368 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 48.135 64.779 60.582 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 77.441 54.970 12.279 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 77.351 54.349 13.001 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 76.553 55.296 12.131 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 41.063 1.279 12.794 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 41.264 0.511 13.328 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 41.034 2.004 13.419 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 35.148 72.696 3.310 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 35.029 73.642 3.395 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 34.382 72.318 3.741 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 44.280 66.886 36.463 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 44.149 67.774 36.797 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 45.227 66.811 36.348 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 55.011 13.164 -12.149 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 54.912 13.403 -13.070 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 54.119 12.995 -11.847 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 79.607 68.423 36.752 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 78.713 68.356 36.418 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 80.103 68.813 36.033 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 56.768 8.576 5.768 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 57.707 8.762 5.743 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 56.404 9.256 6.334 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 65.250 31.034 61.657 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 65.814 30.594 62.293 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 64.361 30.862 61.966 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 56.474 86.098 53.335 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 57.279 85.605 53.175 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 55.777 85.538 52.996 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 52.502 13.016 3.344 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 52.550 13.972 3.349 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 52.427 12.774 4.267 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 67.513 12.777 -15.556 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 67.377 13.660 -15.899 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 68.227 12.871 -14.925 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 70.435 28.828 -11.421 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 69.842 29.053 -10.704 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 70.157 29.386 -12.147 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 51.441 35.448 20.415 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 52.374 35.438 20.629 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 51.184 36.365 20.505 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 45.941 81.592 7.413 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 46.852 81.298 7.403 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 45.471 80.934 6.901 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 33.576 19.352 14.478 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 33.987 19.289 13.615 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 33.790 20.235 14.782 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 86.962 88.599 -16.739 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 87.847 88.347 -16.474 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 86.390 88.162 -16.108 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 79.927 40.877 9.880 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 79.903 41.809 9.666 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 80.777 40.748 10.300 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 87.133 23.210 -1.383 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 87.494 24.042 -1.077 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 86.828 23.392 -2.272 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 72.651 86.502 2.279 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 72.416 86.850 1.418 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 72.939 87.268 2.776 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 70.399 2.544 42.344 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 69.573 2.996 42.173 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 70.470 2.526 43.298 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 57.461 32.765 -3.225 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 56.981 33.119 -3.973 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 57.969 33.505 -2.893 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 40.498 5.895 -6.953 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 39.896 6.193 -6.271 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 41.363 5.940 -6.546 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 87.356 52.398 25.047 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 86.991 51.542 24.820 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 86.726 52.771 25.663 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 63.153 41.173 23.402 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 62.790 41.131 24.286 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 62.500 41.656 22.896 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 40.585 89.628 1.058 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 41.127 89.357 1.799 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 40.536 90.581 1.133 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 85.338 28.175 53.119 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 85.306 27.294 52.747 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 86.022 28.622 52.620 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 34.922 49.491 46.545 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 35.058 50.003 47.343 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 35.455 48.706 46.671 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 81.142 71.677 0.712 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 81.522 70.800 0.675 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 80.267 71.575 0.337 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 44.104 47.708 1.026 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 44.772 47.922 1.678 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 43.689 48.546 0.823 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 85.290 24.310 -6.488 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 84.575 23.728 -6.746 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 86.085 23.836 -6.732 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 37.213 50.889 64.732 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 37.582 51.428 64.033 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 37.253 49.995 64.392 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 75.378 90.646 56.113 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 75.296 89.706 55.949 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 74.878 91.057 55.409 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 68.738 12.381 -2.989 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 68.343 11.652 -2.511 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 68.463 13.161 -2.507 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 60.281 71.855 34.956 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 60.896 71.969 34.231 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 59.952 70.962 34.853 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 83.769 26.802 49.056 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 83.793 27.686 49.422 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 84.293 26.278 49.662 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 80.769 30.049 18.331 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 81.104 30.605 19.034 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 80.596 30.653 17.609 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 21.016 65.778 -18.097 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 21.236 66.549 -18.620 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 20.063 65.814 -18.007 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 57.540 0.117 25.611 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 57.123 0.926 25.316 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 58.145 -0.113 24.905 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 43.412 27.063 27.671 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 42.717 27.488 27.169 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 43.024 26.908 28.533 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 79.028 13.825 40.364 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 79.831 13.412 40.047 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 78.558 14.078 39.569 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 87.964 64.916 48.285 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 87.857 65.821 48.577 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 87.411 64.848 47.507 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 65.862 54.740 7.233 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 65.084 55.172 6.881 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 65.599 54.446 8.105 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 57.113 66.208 -6.983 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 57.409 65.468 -6.453 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 57.781 66.299 -7.663 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 87.002 73.950 -0.385 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 86.920 73.815 0.559 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 86.595 73.176 -0.774 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 31.090 50.758 2.511 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 31.439 50.100 1.909 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 30.817 50.258 3.280 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 42.297 81.144 -19.299 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 42.980 81.814 -19.303 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 41.538 81.578 -18.908 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 84.895 33.020 -14.102 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 85.699 33.504 -13.917 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 84.358 33.631 -14.606 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 89.848 46.537 -9.634 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 89.388 46.805 -8.838 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 90.099 45.628 -9.471 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 49.122 82.173 50.440 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 49.825 82.123 51.088 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 49.561 82.043 49.599 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 59.292 8.492 -0.017 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 59.981 9.035 -0.401 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 58.737 9.111 0.458 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 47.455 63.465 -16.998 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 46.869 63.895 -16.375 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 47.515 62.562 -16.686 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 32.097 10.175 -1.255 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 31.950 10.365 -2.182 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 32.192 11.034 -0.846 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 62.547 3.790 7.107 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 62.017 4.542 7.370 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 61.952 3.043 7.173 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 58.715 27.175 12.490 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 58.175 27.961 12.414 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 58.125 26.512 12.849 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 31.358 18.870 25.801 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 31.953 19.544 25.472 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 31.732 18.608 26.642 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 49.286 22.962 56.118 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 49.306 23.913 56.016 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 50.138 22.744 56.496 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 42.746 83.183 0.971 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 43.172 83.930 1.391 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 42.560 82.578 1.689 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 30.921 84.349 -3.914 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 31.741 84.842 -3.887 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 30.401 84.708 -3.195 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 66.467 87.946 33.143 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 66.076 87.157 33.518 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 67.140 88.204 33.772 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 39.348 53.035 3.505 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 40.046 53.408 2.968 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 39.710 53.018 4.391 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 44.963 31.728 -16.124 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 45.714 31.169 -15.924 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 44.948 32.371 -15.414 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 28.550 32.825 42.109 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 28.813 33.226 42.937 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 29.162 32.098 41.990 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 32.692 44.667 45.557 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 32.249 44.962 46.352 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 32.438 43.748 45.468 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 54.882 11.563 55.563 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 54.868 12.235 56.243 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 53.978 11.253 55.513 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 72.624 93.884 53.985 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 72.946 93.696 54.866 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 72.586 93.030 53.555 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 72.368 28.300 14.691 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 71.586 28.844 14.783 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 73.098 28.917 14.744 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 52.224 52.000 -6.903 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 52.542 51.733 -6.041 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 52.460 52.925 -6.970 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 52.268 37.707 -11.581 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 52.659 37.441 -10.748 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 51.846 38.544 -11.390 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 28.093 43.791 -16.646 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 28.704 44.443 -16.989 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 28.559 42.959 -16.728 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 81.282 6.209 -4.352 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 82.096 5.908 -3.947 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 81.271 7.153 -4.195 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 34.982 5.569 58.452 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 34.683 5.528 57.543 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 35.930 5.451 58.398 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 54.824 7.819 34.618 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 54.810 8.521 33.968 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 55.455 7.186 34.275 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 86.486 77.666 25.798 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 87.079 76.917 25.738 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 87.004 78.408 25.487 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 50.015 36.709 3.648 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 49.431 35.989 3.884 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 50.282 37.086 4.487 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 29.705 69.757 62.416 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 30.637 69.612 62.254 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 29.389 70.193 61.624 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 72.390 11.036 -2.013 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 71.561 10.739 -2.388 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 72.941 11.230 -2.772 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 79.620 70.606 -12.019 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 80.047 69.846 -12.415 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 80.216 71.334 -12.193 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 49.142 9.877 13.230 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 49.058 10.825 13.329 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 50.086 9.720 13.209 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 48.441 3.347 34.547 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 47.855 3.225 35.294 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 47.958 2.987 33.803 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 53.004 44.195 66.791 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 53.149 45.095 66.500 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 52.113 44.196 67.140 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 63.885 77.581 50.877 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 64.104 76.725 50.509 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 63.048 77.810 50.473 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 81.976 25.686 37.244 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 81.368 25.714 36.505 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 82.003 24.764 37.498 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 76.785 36.419 -11.941 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 76.854 37.116 -11.288 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 77.420 36.658 -12.616 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 57.138 90.841 10.732 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 57.078 91.646 11.247 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 56.546 90.230 11.172 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 27.835 2.501 4.316 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 28.357 2.171 3.585 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 26.961 2.137 4.169 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 61.399 3.969 -18.611 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 61.651 4.504 -19.364 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 61.001 4.588 -18.000 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 87.712 29.476 2.829 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 86.783 29.303 2.980 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 87.951 30.110 3.504 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 74.392 4.529 54.707 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 74.810 4.292 53.879 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 74.545 5.470 54.792 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 58.264 30.275 14.263 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 57.490 30.197 14.821 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 57.921 30.235 13.371 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 59.960 89.914 54.693 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 60.775 89.712 54.234 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 59.389 90.281 54.018 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 45.013 31.658 -0.081 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 45.956 31.717 0.071 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 44.800 32.450 -0.574 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 60.107 34.451 -4.251 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 60.176 34.338 -3.303 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 59.962 35.389 -4.371 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 53.955 7.240 65.021 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 53.680 6.354 65.259 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 54.911 7.197 64.999 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 81.888 30.932 10.824 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 82.809 30.895 10.570 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 81.758 30.154 11.367 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 66.964 5.127 34.071 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 66.905 6.074 34.198 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 66.369 4.945 33.344 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 61.214 19.177 2.308 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 60.699 18.512 2.766 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 60.843 19.203 1.426 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 55.787 20.365 11.237 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 55.103 20.351 11.906 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 55.885 19.449 10.976 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 34.107 93.114 60.401 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 33.285 93.565 60.206 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 34.785 93.764 60.219 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 57.655 91.211 43.061 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 57.019 91.925 43.101 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 57.553 90.849 42.181 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 72.240 95.929 27.998 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 72.130 95.625 27.097 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 71.461 95.611 28.455 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 28.849 86.746 -0.569 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 28.476 86.448 0.261 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 29.783 86.849 -0.388 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 24.406 27.078 -18.498 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 24.711 26.882 -19.384 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 25.126 26.802 -17.930 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 40.394 5.454 45.881 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 40.302 6.178 45.260 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 40.266 5.857 46.739 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 26.179 5.845 -15.851 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 26.795 5.157 -15.600 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 26.092 6.387 -15.067 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 89.039 51.857 -0.714 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 88.536 51.700 0.084 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 88.523 52.499 -1.202 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 89.517 69.831 -8.618 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 90.248 69.319 -8.273 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 89.858 70.723 -8.684 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 22.068 66.720 64.613 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 22.336 66.784 65.530 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 21.608 65.883 64.555 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 42.646 94.787 16.786 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 43.569 94.630 16.590 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 42.389 94.051 17.342 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 22.014 28.877 33.853 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 22.478 28.514 33.098 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 21.380 29.486 33.474 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 37.994 29.751 52.661 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 38.316 28.989 53.143 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 37.815 29.420 51.781 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 59.243 25.301 -15.216 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 59.302 24.621 -14.545 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 59.464 26.111 -14.757 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 61.876 26.010 22.897 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 61.124 25.935 23.484 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 61.523 26.416 22.106 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 72.543 49.606 29.701 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 72.976 50.450 29.573 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 71.621 49.828 29.837 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 79.757 41.002 -15.927 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 79.870 41.534 -16.715 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 79.898 41.613 -15.204 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 80.013 94.213 36.148 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 79.925 93.640 35.386 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 80.932 94.135 36.402 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 46.106 36.139 41.929 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 45.454 36.675 42.380 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 45.966 36.321 41.000 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 24.616 13.347 44.606 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 25.405 13.889 44.583 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 24.940 12.449 44.541 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 49.655 46.712 -6.065 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 49.874 47.444 -6.641 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 50.240 46.814 -5.315 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 61.476 27.241 4.877 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 61.102 26.768 5.621 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 60.809 27.178 4.193 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 59.012 15.073 22.644 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 59.419 14.253 22.923 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 59.617 15.432 21.995 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 69.539 78.204 56.548 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 69.218 78.974 56.079 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 70.387 78.016 56.147 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 52.984 9.575 16.706 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 52.926 10.508 16.909 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 53.815 9.482 16.240 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 63.376 7.063 20.101 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 62.890 7.823 20.420 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 62.739 6.348 20.116 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 62.012 60.605 42.429 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 61.425 60.989 43.079 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 62.692 60.171 42.945 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 24.535 59.099 33.248 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 25.146 59.401 33.920 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 25.094 58.813 32.526 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 34.543 54.056 7.355 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 35.061 54.072 8.159 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 33.634 54.025 7.656 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 67.637 27.426 24.726 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 67.762 27.591 23.791 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 67.627 28.297 25.124 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 69.287 7.820 59.178 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 69.324 7.008 58.672 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 68.468 7.759 59.669 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 72.702 23.726 27.039 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 73.043 23.891 26.160 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 72.086 23.001 26.925 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 81.708 84.451 -12.174 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 82.222 83.895 -12.760 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 81.885 84.107 -11.299 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 74.646 21.271 64.905 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 74.444 21.518 64.003 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 75.358 20.636 64.827 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 39.043 27.110 25.186 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 38.562 27.878 24.878 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 38.579 26.366 24.802 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 84.260 43.993 26.156 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 83.419 43.700 25.806 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 84.376 43.485 26.959 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 56.173 79.591 -12.382 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 56.263 79.210 -13.256 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 55.489 80.253 -12.478 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 43.477 76.311 16.045 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 43.922 75.476 15.902 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 42.551 76.080 16.118 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 79.662 20.801 -17.077 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 78.955 20.254 -17.418 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 80.261 20.908 -17.816 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 52.568 94.850 -17.651 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 52.367 94.192 -16.986 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 53.515 94.977 -17.584 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 71.051 12.166 11.630 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 70.657 11.294 11.658 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 70.609 12.652 12.326 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 25.525 0.215 4.369 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 25.866 0.068 5.252 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 25.267 1.136 4.362 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 32.713 50.396 25.825 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 33.494 50.609 25.315 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 33.050 49.988 26.623 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 53.753 61.186 52.174 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 53.086 61.850 52.001 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 54.310 61.196 51.395 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 28.321 19.462 6.097 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 29.254 19.389 6.296 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 28.292 19.835 5.216 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 45.383 96.378 54.188 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 46.097 96.059 53.637 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 44.595 95.990 53.809 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 81.368 21.926 -8.749 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 80.785 22.684 -8.802 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 80.978 21.371 -8.074 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 43.826 83.898 -1.878 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 44.581 84.428 -1.624 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 43.319 83.800 -1.072 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 73.214 16.634 -18.918 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 72.490 17.049 -19.387 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 73.530 15.957 -19.515 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 78.733 8.083 -12.383 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 79.658 8.210 -12.592 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 78.561 7.168 -12.601 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 35.618 51.428 58.392 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 36.240 51.834 57.788 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 35.021 50.936 57.827 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 89.958 81.194 54.774 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 89.999 80.682 53.966 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 89.884 82.102 54.480 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 57.817 35.928 36.928 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 57.158 36.340 36.369 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 57.311 35.413 37.556 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 64.791 34.399 -19.694 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 65.723 34.305 -19.499 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 64.361 34.351 -18.841 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 77.582 71.872 41.657 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 77.084 72.012 40.852 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 78.160 71.136 41.457 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 79.273 80.427 -5.524 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 79.616 81.227 -5.921 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 78.433 80.284 -5.960 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 21.646 55.315 -12.693 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 21.849 56.248 -12.629 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 22.409 54.876 -12.318 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 88.389 67.172 5.180 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 89.021 67.013 5.881 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 87.949 66.330 5.058 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 70.270 30.080 15.172 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 70.695 30.491 15.925 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 69.371 30.409 15.194 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 40.740 92.779 10.853 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 40.327 93.218 10.109 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 40.693 91.848 10.638 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 70.288 35.171 24.968 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 70.285 36.075 25.281 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 69.717 35.182 24.199 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 29.324 52.330 1.478 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 29.272 51.762 0.709 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 30.032 51.959 2.004 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 42.735 36.641 63.844 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 41.901 36.220 63.632 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 43.288 35.928 64.165 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 35.369 11.367 20.554 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 35.612 12.120 21.094 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 36.103 11.259 19.948 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 51.413 60.764 -8.691 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 51.900 60.502 -7.910 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 50.600 61.140 -8.352 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 21.402 37.732 31.263 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 20.835 37.560 30.512 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 21.330 38.676 31.407 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 59.625 90.783 64.747 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 60.511 90.862 64.393 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 59.337 89.911 64.477 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 82.791 15.054 50.676 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 81.892 14.735 50.755 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 83.318 14.263 50.569 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 60.658 64.383 -7.540 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 60.263 64.966 -8.188 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 60.653 63.522 -7.958 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 67.616 77.156 63.208 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 66.792 76.918 62.783 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 67.371 77.828 63.845 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 70.743 45.778 12.805 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 71.252 46.396 13.329 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 70.357 46.313 12.111 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 25.686 77.611 37.594 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 25.933 76.757 37.239 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 25.139 78.004 36.914 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 44.068 41.899 -19.267 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 44.455 41.967 -18.395 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 44.156 42.777 -19.638 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 31.692 38.513 -9.930 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 32.327 38.038 -10.467 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 30.873 38.031 -10.044 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 26.617 55.804 52.753 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 26.990 56.210 53.535 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 26.940 54.903 52.772 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 72.314 21.885 -11.684 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 73.040 21.549 -12.210 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 72.076 22.711 -12.104 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 39.864 61.345 -1.793 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 39.369 61.536 -0.996 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 39.195 61.238 -2.470 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 53.209 7.727 36.793 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 53.935 7.604 36.181 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 53.021 8.665 36.757 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 83.121 85.584 10.624 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 83.836 85.340 11.212 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 82.940 84.788 10.123 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 61.172 78.493 30.562 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 61.113 77.983 31.371 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 61.098 77.843 29.863 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 38.226 12.012 51.656 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 39.141 11.731 51.656 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 38.219 12.806 52.191 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 51.926 21.459 15.002 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 51.257 21.025 14.473 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 51.481 22.219 15.376 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 25.234 42.533 3.830 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 25.690 43.221 4.315 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 24.343 42.545 4.178 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 63.377 11.874 -17.233 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 63.857 11.655 -16.434 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 62.497 12.100 -16.930 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 76.696 31.898 14.714 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 77.367 31.828 14.035 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 77.088 31.484 15.482 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 58.346 35.586 -11.785 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 57.458 35.927 -11.679 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 58.911 36.353 -11.686 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 31.416 65.910 33.854 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 32.339 66.165 33.832 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 31.283 65.570 34.739 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 21.149 38.990 66.406 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 20.499 38.290 66.462 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 20.633 39.797 66.396 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 55.014 62.205 -10.255 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 55.131 62.356 -9.317 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 54.073 62.064 -10.360 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 46.603 34.904 48.174 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 46.020 34.280 47.741 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 46.816 35.544 47.495 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 45.162 40.181 56.038 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 44.647 40.524 55.307 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 45.349 40.947 56.580 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 83.595 37.621 64.634 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 83.061 37.928 65.367 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 84.083 36.877 64.988 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 79.312 4.888 -11.236 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 80.011 5.239 -10.684 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 78.740 4.418 -10.630 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 40.825 70.972 -8.707 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 41.347 71.773 -8.660 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 39.925 71.279 -8.821 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 90.114 29.159 8.579 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 90.826 29.618 9.025 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 89.990 28.357 9.087 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 28.191 87.923 -2.883 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 28.493 87.519 -2.069 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 28.995 88.149 -3.351 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 76.541 21.384 62.562 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 77.186 20.770 62.211 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 77.060 22.122 62.880 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 22.355 18.600 43.568 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 21.844 19.061 42.902 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 23.211 18.463 43.161 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 46.087 69.507 26.946 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 46.807 70.001 27.339 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 46.345 69.392 26.032 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 52.911 19.858 61.112 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 52.266 19.152 61.078 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 53.757 19.413 61.069 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 84.294 85.393 -6.882 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 85.239 85.541 -6.923 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 84.042 85.692 -6.008 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 63.318 21.678 -12.768 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 62.844 22.124 -12.066 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 63.028 22.116 -13.569 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 76.623 12.817 38.659 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 76.873 11.987 39.065 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 77.308 12.984 38.011 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 60.843 26.614 59.977 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 60.158 27.008 59.437 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 61.210 27.348 60.471 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 20.709 38.283 48.655 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 20.908 39.143 48.285 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 20.852 38.389 49.596 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 28.960 18.078 9.131 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 29.641 18.732 9.285 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 28.181 18.439 9.555 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 27.508 45.524 22.303 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 28.128 46.107 21.866 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 28.050 44.983 22.877 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 32.262 53.684 8.569 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 32.148 54.173 9.384 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 32.415 52.782 8.849 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 86.844 95.899 -16.701 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 87.572 96.074 -17.298 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 86.718 94.951 -16.748 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 68.731 44.797 27.356 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 68.144 45.443 26.964 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 69.355 45.316 27.863 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 34.158 50.023 28.093 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 34.561 50.472 28.836 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 34.738 49.282 27.916 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 54.324 50.217 22.888 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 54.705 49.425 22.509 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 53.946 50.682 22.142 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 28.843 49.893 39.745 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 28.783 50.743 40.181 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 29.661 49.515 40.068 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 51.034 51.908 -14.204 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 51.535 52.685 -14.450 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 50.402 52.223 -13.558 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 77.119 30.554 45.689 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 78.047 30.475 45.909 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 76.951 29.825 45.092 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 25.258 8.311 -3.361 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 25.119 9.218 -3.087 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 26.143 8.103 -3.059 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 51.898 68.020 -12.365 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 51.489 67.312 -11.868 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 52.810 67.747 -12.467 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 47.744 39.825 -10.449 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 47.834 39.579 -9.528 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 46.807 39.985 -10.564 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 22.185 81.147 23.297 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 21.515 81.749 22.974 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 21.818 80.792 24.107 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 86.189 63.345 38.213 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 85.363 63.175 37.759 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 86.638 63.986 37.661 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 54.189 23.023 3.137 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 55.099 23.095 3.426 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 53.978 22.095 3.239 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 84.026 81.084 2.984 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 84.507 80.380 2.549 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 83.135 81.012 2.643 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 32.449 27.031 19.577 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 31.574 27.330 19.327 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 32.561 27.342 20.476 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 46.171 58.819 16.800 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 45.773 59.384 17.463 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 47.113 58.916 16.937 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 61.674 63.015 23.447 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 61.068 62.573 22.852 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 61.239 62.984 24.299 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 29.731 23.338 10.876 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 29.990 23.120 9.980 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 30.475 23.826 11.229 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 27.199 62.434 60.585 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 27.585 62.322 61.453 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 26.862 61.567 60.358 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 55.084 25.072 -1.553 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 55.413 25.854 -1.998 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 54.359 25.390 -1.015 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 82.421 77.333 28.780 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 81.576 77.751 28.615 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 82.199 76.437 29.035 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 71.534 86.412 -9.713 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 72.370 86.310 -10.167 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 70.882 86.096 -10.338 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 62.959 58.389 57.989 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 62.319 58.726 58.616 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 62.737 58.820 57.163 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 54.153 90.343 60.836 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 54.952 90.075 60.382 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 54.126 89.793 61.619 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 78.697 91.452 56.051 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 78.346 91.554 55.166 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 79.420 90.832 55.952 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 49.243 73.887 -12.113 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 48.732 73.182 -11.717 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 48.731 74.156 -12.876 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 84.986 92.472 6.405 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 85.122 91.636 6.852 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 84.973 92.247 5.475 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 29.145 71.205 19.816 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 29.991 70.821 20.047 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 28.512 70.506 19.980 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 46.039 48.693 66.400 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 46.472 48.090 65.795 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 46.576 49.485 66.376 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 84.469 63.852 3.332 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 84.433 62.924 3.565 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 84.837 63.864 2.449 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 72.658 43.165 2.196 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 72.571 44.004 1.744 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 72.423 43.358 3.104 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 46.571 53.249 21.325 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 47.422 52.815 21.398 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 46.781 54.182 21.280 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 33.123 15.493 43.942 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 32.672 14.826 43.424 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 33.196 15.109 44.816 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 22.689 13.480 8.942 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 22.172 14.232 8.653 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 23.598 13.759 8.839 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 76.956 90.822 6.646 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 77.362 90.542 5.825 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 76.483 91.622 6.419 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 61.158 49.877 25.310 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 60.966 49.290 26.041 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 60.376 50.423 25.229 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 57.489 42.550 32.783 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 56.657 42.830 32.403 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 58.116 43.218 32.505 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 56.668 31.940 4.050 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 57.226 32.093 4.812 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 55.777 31.955 4.397 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 52.075 69.124 28.502 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 51.172 68.918 28.261 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 52.448 68.286 28.773 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 86.258 70.608 38.077 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 86.671 70.979 38.857 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 86.898 69.981 37.741 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 57.502 68.490 43.831 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 56.924 68.601 44.586 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 57.738 67.563 43.844 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 44.643 38.605 66.622 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 44.735 39.268 65.937 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 45.531 38.478 66.954 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 60.045 22.764 -13.937 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 60.263 22.876 -13.011 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 60.323 21.872 -14.143 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 43.843 73.316 16.617 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 44.139 72.998 17.470 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 44.254 72.726 15.986 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 41.119 27.393 18.132 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 42.029 27.122 18.249 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 41.032 28.181 18.668 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 47.761 29.999 32.708 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 48.600 30.444 32.591 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 47.362 30.434 33.461 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 56.122 84.928 8.713 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 56.562 84.417 8.034 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 56.830 85.386 9.166 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 41.086 34.086 44.021 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 41.659 34.769 44.371 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 40.758 34.448 43.198 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 50.655 54.168 17.060 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 51.289 53.490 17.294 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 49.856 53.686 16.846 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 57.379 46.671 -11.367 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 56.712 47.046 -10.791 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 57.117 45.757 -11.476 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 32.150 12.392 47.117 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 31.867 11.555 47.485 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 33.036 12.226 46.796 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 54.555 83.611 10.485 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 55.027 82.825 10.760 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 55.180 84.088 9.939 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 61.506 5.604 43.776 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 61.830 4.822 44.223 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 60.621 5.728 44.120 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 45.693 4.620 -9.894 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 45.131 3.914 -10.212 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 45.869 5.154 -10.669 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 53.165 63.095 41.602 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 53.095 62.615 40.776 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 54.074 62.971 41.876 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 64.814 62.006 -12.380 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 64.167 62.536 -11.914 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 65.213 61.462 -11.701 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 51.169 63.010 61.454 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 50.720 63.019 60.609 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 50.643 63.584 62.011 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 41.041 63.639 9.437 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 41.777 63.249 8.965 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 41.442 64.296 10.007 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 28.110 61.812 21.133 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 28.967 61.723 20.715 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 28.228 62.509 21.777 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 61.347 63.770 45.280 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 60.660 63.355 45.801 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 61.057 63.666 44.374 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 36.208 5.605 16.062 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 36.921 5.233 16.581 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 35.542 5.844 16.707 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 36.139 21.187 -5.104 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 35.826 21.206 -4.199 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 37.054 21.464 -5.047 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 49.638 79.498 46.796 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 50.327 79.053 46.303 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 48.892 78.899 46.761 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 50.749 85.121 -15.081 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 51.341 84.413 -15.335 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 50.064 84.689 -14.572 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 31.066 9.902 65.391 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 31.201 10.280 66.260 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 30.575 9.097 65.554 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 69.835 54.859 -4.482 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 69.998 55.530 -5.144 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 69.901 55.323 -3.648 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 75.129 90.607 15.101 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 75.773 90.158 14.554 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 75.226 91.532 14.875 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 58.071 32.276 -19.168 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 58.067 33.074 -18.639 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 57.881 32.577 -20.057 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 59.837 15.047 45.753 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 60.683 15.448 45.552 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 59.895 14.813 46.679 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 55.477 58.947 -1.765 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 55.714 58.633 -0.893 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 54.725 59.520 -1.618 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 28.042 60.614 27.773 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 27.938 60.300 26.875 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 27.650 61.487 27.768 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 82.696 47.258 13.444 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 82.079 47.321 14.174 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 82.803 48.159 13.142 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 47.465 88.067 60.651 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 48.231 88.126 60.080 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 47.825 88.088 61.538 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 62.650 82.823 20.013 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 62.362 83.430 20.694 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 61.866 82.321 19.791 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 61.479 82.748 28.900 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 60.944 82.203 29.477 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 61.279 83.646 29.164 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 71.187 30.599 -8.746 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 72.011 30.389 -9.185 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 71.029 29.857 -8.163 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 43.175 6.606 23.899 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 43.319 7.153 24.671 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 42.941 5.748 24.253 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 74.424 11.605 6.287 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 73.993 10.927 5.766 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 74.097 12.429 5.926 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 43.960 7.739 -0.650 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 43.433 8.417 -0.228 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 43.440 6.940 -0.560 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 68.649 3.156 8.216 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 67.832 3.568 8.498 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 69.329 3.788 8.446 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 39.969 88.332 -15.681 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 40.762 88.648 -16.115 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 39.253 88.758 -16.152 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 63.946 67.991 55.995 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 63.891 68.566 56.758 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 64.458 68.487 55.357 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 69.730 62.349 9.982 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 69.371 61.765 10.650 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 70.046 61.763 9.295 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 69.159 17.656 60.545 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 69.432 17.199 59.750 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 68.738 16.981 61.077 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 80.981 11.371 -10.318 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 81.239 11.357 -9.396 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 81.482 10.660 -10.718 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 40.161 88.478 54.399 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 40.503 87.590 54.289 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 39.884 88.738 53.520 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 65.974 76.142 25.629 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 66.064 75.733 24.768 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 65.107 75.872 25.933 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 44.437 96.152 1.777 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 44.236 96.965 2.240 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 44.503 95.493 2.468 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 31.170 5.997 39.101 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 31.757 5.736 38.392 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 30.466 5.350 39.080 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 38.403 22.559 31.847 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 38.508 22.812 30.930 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 39.240 22.782 32.254 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 44.512 73.456 7.224 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 44.821 72.738 6.673 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 44.620 73.135 8.119 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 78.601 23.221 3.035 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 79.266 23.028 3.696 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 78.689 24.160 2.874 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 62.023 52.642 -11.113 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 62.565 53.057 -10.442 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 61.324 52.209 -10.623 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 50.101 93.137 54.626 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 49.154 93.032 54.726 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 50.262 92.987 53.695 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 41.118 82.839 -10.113 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 40.448 83.232 -9.554 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 41.888 82.764 -9.548 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 46.135 27.102 61.462 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 46.480 26.463 62.085 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 45.559 26.594 60.891 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 61.148 92.146 18.225 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 61.546 91.787 19.018 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 61.438 91.560 17.525 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 46.404 71.090 59.727 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 46.411 71.360 58.809 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 45.728 70.413 59.773 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 64.124 43.204 7.877 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 64.063 42.285 8.138 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 63.718 43.685 8.598 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 51.851 8.383 50.975 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 52.392 8.057 50.256 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 51.974 7.745 51.677 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 54.494 20.050 46.168 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 54.412 19.254 45.644 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 53.873 19.930 46.887 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 82.709 34.751 65.263 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 82.857 35.364 64.542 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 83.550 34.309 65.378 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 57.940 30.250 52.311 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 57.914 30.139 51.361 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 57.744 31.177 52.450 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 34.778 18.428 60.436 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 34.483 18.066 61.271 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 35.159 19.276 60.663 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 61.747 20.795 19.897 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 61.312 21.607 19.639 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 61.032 20.194 20.104 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 49.519 88.839 13.329 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 49.510 88.455 14.206 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 48.958 88.263 12.810 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 44.056 57.268 -17.370 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 43.812 56.675 -16.659 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 44.974 57.480 -17.201 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 25.100 21.256 49.365 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 24.954 20.312 49.315 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 25.388 21.407 50.266 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 76.853 37.837 31.369 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 77.436 37.092 31.515 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 76.810 37.925 30.416 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 26.996 14.644 -5.103 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 27.081 15.594 -5.024 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 26.056 14.495 -5.206 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 45.813 76.303 50.138 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 45.807 77.087 49.589 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 46.517 75.763 49.779 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 79.113 66.017 38.040 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 78.316 66.320 38.475 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 79.369 66.745 37.474 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 85.168 44.610 49.601 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 84.384 44.862 49.113 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 85.003 44.912 50.494 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 58.870 1.664 16.855 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 58.038 2.018 17.167 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 58.937 0.804 17.271 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 89.453 65.997 -8.490 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 88.904 66.557 -7.941 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 89.273 66.286 -9.384 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 44.020 83.208 4.500 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 44.196 83.849 3.812 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 44.631 82.492 4.322 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 63.995 28.926 -3.702 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 63.652 29.607 -3.123 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 63.598 29.111 -4.552 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 30.921 88.855 -18.571 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 29.965 88.888 -18.591 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 31.191 89.210 -19.419 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 53.580 25.262 7.916 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 54.504 25.442 8.091 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 53.163 25.290 8.777 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 62.934 19.050 29.309 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 63.624 18.904 28.662 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 63.193 19.855 29.758 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 55.814 56.774 12.434 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 55.685 56.346 13.280 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 55.208 57.515 12.444 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 28.820 72.497 24.238 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 28.458 73.270 23.805 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 29.766 72.643 24.236 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 79.529 17.550 -16.585 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 79.706 17.359 -15.663 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 78.934 16.854 -16.864 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 26.496 86.257 -7.903 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 26.892 86.241 -8.774 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 26.267 85.345 -7.726 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 64.798 13.886 28.723 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 65.679 14.139 29.000 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 64.261 14.658 28.897 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 56.216 76.282 0.467 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 56.451 76.379 1.389 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 55.693 75.481 0.435 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 36.591 23.249 24.456 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 36.252 22.851 23.654 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 36.053 22.876 25.155 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 71.796 2.744 37.999 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 71.530 2.688 37.081 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 72.165 3.623 38.088 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 74.247 92.466 44.257 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 73.763 91.883 43.672 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 74.158 93.332 43.859 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 35.167 26.298 65.390 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 34.399 25.792 65.127 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 35.403 25.947 66.249 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 38.827 12.469 -5.707 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 39.354 12.238 -6.472 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 39.469 12.682 -5.029 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 60.884 32.109 54.125 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 60.235 31.551 54.552 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 60.984 31.735 53.249 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 53.324 49.561 37.175 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 53.794 50.357 37.423 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 54.004 48.976 36.838 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 80.557 87.396 63.494 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 81.260 87.042 62.950 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 79.759 86.999 63.144 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 82.275 80.537 -11.135 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 82.237 79.967 -10.367 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 82.370 81.419 -10.775 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 50.412 21.189 18.663 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 50.969 21.820 18.206 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 49.603 21.670 18.843 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 50.923 33.098 16.238 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 50.113 32.756 15.859 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 50.760 33.112 17.181 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 32.571 26.920 4.556 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 32.282 27.086 3.658 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 31.873 27.281 5.103 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 71.473 95.518 -0.862 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 71.754 95.674 0.040 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 72.074 94.847 -1.187 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 88.405 40.943 -17.951 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 87.482 41.099 -18.155 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 88.473 41.104 -17.010 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 35.001 84.716 22.685 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 34.306 84.465 23.294 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 35.530 83.925 22.586 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 52.426 93.905 47.170 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 52.003 93.618 46.361 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 52.994 94.627 46.901 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 70.408 29.834 55.143 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 70.874 30.527 54.675 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 70.641 29.031 54.677 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 73.855 30.251 -0.826 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 72.989 29.878 -0.988 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 74.120 30.619 -1.670 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 28.817 60.146 24.879 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 28.336 59.343 25.076 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 29.689 60.000 25.246 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 20.458 37.494 62.910 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 21.290 37.911 63.132 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 20.670 36.905 62.185 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 33.929 30.314 10.763 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 34.508 30.919 11.226 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 33.359 29.958 11.446 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 34.252 48.755 52.720 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 35.036 48.432 53.165 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 34.461 48.690 51.788 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 50.142 77.101 29.898 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 49.707 76.496 30.499 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 50.118 76.657 29.051 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 29.902 77.578 36.645 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 30.727 77.799 37.077 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 30.093 76.774 36.162 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 27.043 55.790 18.578 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 27.447 54.975 18.279 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 27.615 56.479 18.240 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 49.500 95.457 -1.657 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 49.905 96.323 -1.621 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 49.629 95.095 -0.780 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 30.492 28.197 5.916 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 30.143 28.788 5.249 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 30.042 28.450 6.722 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 29.854 1.725 -8.241 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 29.383 1.393 -9.006 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 29.386 1.354 -7.492 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 38.095 23.680 14.088 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 37.788 24.572 14.252 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 38.845 23.788 13.503 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 89.648 23.123 -16.175 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 89.835 23.688 -15.426 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 90.109 23.533 -16.907 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 73.184 31.696 40.590 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 72.464 32.325 40.533 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 73.877 32.075 40.049 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 57.601 7.928 -14.651 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 57.815 7.053 -14.328 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 58.415 8.247 -15.040 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 87.746 73.347 43.454 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 87.037 73.746 42.950 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 88.257 72.861 42.807 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 21.286 84.721 22.780 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 20.636 84.117 23.140 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 22.092 84.517 23.256 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 75.698 57.849 20.374 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 76.577 58.139 20.131 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 75.160 58.639 20.318 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 89.822 2.001 35.696 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 89.155 1.389 35.383 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 89.687 2.791 35.172 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 28.540 26.873 45.965 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 29.141 26.560 45.289 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 28.585 26.208 46.652 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 31.703 53.036 -1.511 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 31.683 53.726 -0.848 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 31.126 52.355 -1.166 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 82.423 32.571 62.450 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 82.589 32.567 63.392 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 82.922 33.319 62.121 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 66.575 87.782 47.907 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 66.862 87.823 46.995 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 66.014 88.550 48.016 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 58.217 41.881 -1.514 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 58.261 41.909 -0.559 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 58.746 42.626 -1.801 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 76.209 36.745 50.907 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 75.813 36.048 50.383 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 77.020 36.960 50.447 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 70.310 39.076 13.027 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 69.411 39.131 12.704 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 70.259 39.388 13.931 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 90.169 28.048 35.767 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 89.662 27.256 35.589 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 90.853 28.051 35.097 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 36.089 75.744 -9.785 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 36.978 75.685 -9.435 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 35.771 74.841 -9.784 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 33.514 94.849 0.984 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 33.456 93.928 1.239 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 34.414 94.956 0.676 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 89.386 35.791 5.473 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 89.173 36.548 6.019 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 89.567 35.088 6.098 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 65.951 70.887 -1.745 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 66.559 71.587 -1.981 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 65.088 71.302 -1.760 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 25.849 41.654 -8.771 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 26.671 41.860 -9.217 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 25.202 42.224 -9.187 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 74.287 12.043 -13.230 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 73.505 11.555 -13.487 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 74.048 12.962 -13.354 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 56.026 44.218 35.265 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 55.156 44.585 35.426 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 56.576 44.979 35.079 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 87.647 87.907 -0.245 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 86.738 88.185 -0.132 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 88.157 88.711 -0.146 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 81.395 35.143 19.970 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 81.305 35.066 19.020 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 80.590 35.578 20.253 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 52.901 81.386 59.723 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 53.467 82.019 60.165 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 53.466 80.978 59.066 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 37.063 33.086 13.632 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 37.602 33.241 14.408 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 36.453 33.823 13.613 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 57.397 4.736 36.808 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 57.223 3.908 36.361 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 57.247 4.544 37.734 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 50.420 22.406 37.711 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 49.787 22.023 37.103 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 50.153 22.083 38.571 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 33.069 74.089 62.269 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 32.127 73.942 62.358 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 33.344 73.479 61.584 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 53.845 41.604 61.775 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 53.669 42.171 62.525 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 54.444 40.938 62.112 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 34.253 24.796 61.426 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 34.048 24.482 62.306 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 34.584 24.024 60.967 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 69.668 45.439 31.485 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 69.557 44.651 30.953 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 68.829 45.895 31.417 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 77.748 18.130 -2.897 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 77.887 17.628 -2.094 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 78.325 17.718 -3.540 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 58.640 19.520 57.540 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 58.692 20.277 56.957 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 57.764 19.571 57.922 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 59.297 85.045 8.250 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 59.732 84.374 7.724 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 59.418 84.757 9.154 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 87.797 0.884 -13.197 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 87.388 1.443 -13.858 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 88.237 0.199 -13.700 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 27.799 36.442 14.546 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 27.764 35.514 14.312 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 28.531 36.791 14.038 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 47.603 18.518 -13.434 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 47.683 17.632 -13.786 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 48.188 19.046 -13.977 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 68.849 81.636 56.404 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 69.681 81.593 56.876 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 68.257 82.090 57.003 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 20.681 18.300 -3.646 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 21.306 18.760 -4.206 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 21.140 18.191 -2.813 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 23.754 21.525 46.688 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 24.225 21.798 47.475 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 24.260 21.897 45.965 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 21.587 49.187 25.223 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 20.673 48.986 25.421 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 21.545 49.917 24.606 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 77.151 29.203 -8.169 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 77.745 28.798 -7.537 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 76.863 28.479 -8.725 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 22.287 28.751 54.414 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 22.131 28.540 53.493 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 21.541 29.295 54.665 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 58.742 33.695 1.765 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 58.350 32.899 1.407 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 58.095 34.380 1.595 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 75.605 66.675 47.057 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 75.224 67.327 47.646 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 76.446 66.453 47.456 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 89.642 76.450 -10.541 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 90.583 76.605 -10.462 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 89.543 75.990 -11.375 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 32.687 12.195 13.548 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 33.643 12.250 13.536 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 32.399 13.065 13.822 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 38.713 29.426 4.633 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 38.289 29.813 5.399 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 39.650 29.482 4.823 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 82.693 18.501 66.023 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 83.524 18.377 66.481 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 82.575 17.697 65.518 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 62.017 1.946 -9.919 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 61.588 1.903 -9.065 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 61.334 1.701 -10.543 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 84.706 7.420 -11.906 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 83.982 6.823 -11.717 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 85.450 7.054 -11.427 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 36.427 56.836 -17.671 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 36.725 55.943 -17.498 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 36.721 57.338 -16.911 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 45.973 57.483 6.393 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 46.904 57.271 6.454 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 45.860 58.242 6.964 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 34.880 37.282 17.728 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 35.804 37.524 17.800 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 34.668 36.892 18.575 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 21.816 37.100 15.925 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 21.742 37.824 16.546 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 21.655 37.499 15.070 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 23.647 15.346 41.229 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 23.938 16.121 40.749 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 24.250 14.654 40.958 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 79.544 14.469 -17.768 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 78.815 15.019 -18.053 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 79.136 13.642 -17.513 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 72.054 34.428 37.870 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 71.359 34.864 37.377 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 72.442 33.815 37.246 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 68.492 84.792 44.139 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 68.158 83.962 44.480 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 68.380 84.724 43.191 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 65.074 68.451 14.956 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 66.011 68.504 14.765 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 64.676 68.175 14.130 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 88.538 44.811 19.516 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 88.889 44.592 18.653 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 87.907 45.511 19.349 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 37.822 6.115 60.272 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 38.548 5.650 60.687 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 37.807 5.783 59.374 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 65.799 94.892 54.072 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 65.659 94.469 53.226 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 66.717 94.717 54.279 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 72.695 80.900 61.928 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 72.526 80.127 61.391 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 73.011 80.549 62.761 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 77.656 86.231 28.464 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 77.274 87.106 28.518 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 76.911 85.637 28.561 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 79.771 69.136 -19.861 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 78.894 69.128 -19.479 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 80.071 68.230 -19.793 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 71.785 31.582 7.914 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 70.833 31.686 7.915 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 72.019 31.512 8.840 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 52.435 93.152 63.799 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 52.285 94.048 63.500 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 51.660 92.938 64.318 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 64.410 26.784 16.973 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 64.253 26.905 16.036 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 64.823 27.601 17.254 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 78.833 30.695 13.491 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 79.315 29.957 13.863 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 78.198 30.293 12.898 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 66.504 40.170 -18.891 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 67.327 39.888 -18.492 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 66.557 39.859 -19.795 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 86.453 33.542 15.284 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 86.078 32.679 15.110 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 87.316 33.359 15.656 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 71.745 27.162 23.881 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 72.119 26.369 23.499 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 72.475 27.574 24.342 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 82.050 58.139 46.516 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 81.972 58.863 47.137 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 81.147 57.926 46.280 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 83.561 93.138 30.262 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 83.794 92.628 29.486 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 84.369 93.175 30.775 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 51.554 38.150 -3.915 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 52.099 37.783 -4.610 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 51.507 39.085 -4.116 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 82.509 62.520 53.523 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 82.203 61.879 54.164 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 81.708 62.882 53.144 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 63.748 48.712 35.904 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 64.141 48.915 35.055 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 64.027 47.816 36.090 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 52.808 93.850 -0.511 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 52.418 93.025 -0.800 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 52.787 93.804 0.445 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 74.312 87.309 6.414 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 74.805 87.324 5.594 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 73.516 86.820 6.206 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 40.470 86.754 2.575 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 40.109 85.950 2.949 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 40.547 87.351 3.319 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 37.896 44.951 56.504 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 38.358 44.496 55.799 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 37.139 44.397 56.691 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 75.638 75.748 53.529 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 75.176 76.281 52.882 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 75.408 74.846 53.306 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 62.958 25.000 18.280 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 63.444 25.781 18.017 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 62.044 25.284 18.308 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 89.116 44.412 0.409 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 89.949 44.869 0.290 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 88.496 45.101 0.646 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 50.111 11.117 -1.986 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 49.423 11.704 -1.674 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 49.686 10.261 -2.050 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 31.191 36.945 27.150 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 31.724 36.726 26.386 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 30.295 36.978 26.816 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 22.453 83.615 -10.608 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 23.090 83.102 -11.105 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 22.351 83.138 -9.784 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 60.193 17.492 4.387 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 60.118 18.073 5.144 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 59.478 16.865 4.494 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 42.305 36.596 44.745 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 42.783 36.573 45.574 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 42.892 37.054 44.142 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 81.338 20.767 38.290 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 80.943 21.148 39.074 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 82.068 21.350 38.081 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 72.520 42.530 15.647 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 73.378 42.931 15.505 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 71.894 43.230 15.458 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 21.620 55.504 29.463 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 22.313 55.040 28.994 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 21.688 56.409 29.158 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 23.465 39.661 14.549 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 24.312 39.217 14.567 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 23.028 39.316 13.771 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 62.340 16.508 60.971 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 61.583 16.285 61.513 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 61.992 16.558 60.081 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 90.415 67.491 12.993 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 89.800 66.879 12.590 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 90.828 66.990 13.695 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 46.685 44.023 6.322 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 46.327 44.908 6.385 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 46.853 43.767 7.229 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 85.734 86.875 -14.868 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 85.689 85.930 -14.724 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 86.427 87.175 -14.279 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 72.856 25.819 7.132 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 72.193 25.327 6.648 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 73.562 25.956 6.500 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 45.054 11.918 -16.550 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 44.371 12.587 -16.596 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 45.867 12.412 -16.447 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 77.467 52.082 39.931 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 76.907 52.384 39.216 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 78.186 52.714 39.956 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 61.724 34.038 59.664 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 60.963 34.584 59.862 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 61.565 33.719 58.776 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 76.290 37.083 9.742 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 75.712 37.104 8.979 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 75.699 37.156 10.492 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 67.677 48.403 44.220 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 67.405 47.756 43.568 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 67.483 49.248 43.815 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 70.290 28.116 26.035 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 71.138 28.547 25.934 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 70.202 27.571 25.253 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 49.847 8.526 45.948 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 49.429 7.669 46.035 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 49.560 9.012 46.721 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 89.010 37.280 66.602 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 88.065 37.312 66.452 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 89.200 36.351 66.733 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 26.161 75.619 -10.508 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 25.616 76.167 -9.944 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 26.985 75.526 -10.029 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 84.531 28.703 38.297 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 83.978 29.018 37.581 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 84.769 27.812 38.042 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 32.787 70.237 45.130 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 33.235 70.025 44.312 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 32.478 71.135 45.010 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 37.923 52.917 7.707 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 37.624 53.295 8.534 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 37.827 51.972 7.826 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 78.032 20.825 -8.399 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 78.089 21.274 -9.243 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 77.952 21.529 -7.757 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 31.962 48.266 65.036 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 31.158 48.047 64.564 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 32.051 49.214 64.932 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 73.758 61.812 39.630 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 73.319 62.442 39.058 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 73.182 61.047 39.631 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 48.701 9.477 16.258 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 48.999 10.385 16.317 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 49.215 9.102 15.543 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 54.749 42.879 0.974 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 55.289 42.110 1.152 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 54.845 43.426 1.753 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 67.145 79.675 -5.548 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 67.186 79.846 -4.607 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 68.061 79.629 -5.823 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 56.362 50.648 2.920 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 55.506 51.047 3.076 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 56.984 51.369 3.014 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 61.831 14.755 28.922 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 61.685 15.516 29.485 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 61.036 14.692 28.393 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 45.269 23.579 -5.601 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 45.969 22.930 -5.536 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 44.818 23.364 -6.417 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 33.652 30.587 -3.285 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 33.513 30.918 -2.398 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 32.879 30.053 -3.467 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 61.205 38.463 -18.279 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 60.694 38.429 -17.470 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 60.855 39.219 -18.751 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 68.798 60.635 45.748 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 68.747 60.070 44.977 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 68.796 61.525 45.395 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 53.233 8.688 4.575 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 54.019 8.163 4.422 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 52.535 8.044 4.699 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 38.628 78.367 24.688 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 38.570 77.750 25.418 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 39.161 77.916 24.034 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 57.137 63.806 15.633 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 57.702 63.249 15.097 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 56.546 63.196 16.074 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 40.941 89.018 7.885 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 40.066 88.709 8.121 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 40.914 89.961 8.047 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 33.678 58.531 54.036 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 33.239 59.380 54.087 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 33.149 57.954 54.588 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 57.194 89.545 38.677 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 56.775 89.498 39.537 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 56.997 88.703 38.268 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 45.865 47.151 43.023 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 44.933 47.223 42.817 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 46.301 47.651 42.333 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 87.231 46.215 1.148 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 86.602 46.217 1.870 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 86.757 45.819 0.417 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 26.163 35.487 54.500 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 26.280 35.928 53.659 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 26.403 36.146 55.152 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 60.768 59.178 50.549 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 59.998 58.803 50.122 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 60.698 58.895 51.461 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 38.656 67.512 -13.553 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 39.057 67.706 -12.706 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 39.358 67.108 -14.063 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 42.461 41.254 59.079 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 42.977 41.728 59.731 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 43.110 40.791 58.549 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 65.324 32.666 -11.931 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 65.469 33.363 -12.570 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 64.726 33.050 -11.289 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 76.037 18.737 11.621 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 76.778 19.089 12.114 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 75.267 19.003 12.123 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 75.367 71.329 -6.568 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 75.051 70.896 -5.775 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 75.196 70.700 -7.269 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 45.896 66.102 52.277 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 45.503 65.526 51.622 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 45.968 66.950 51.839 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 30.414 2.832 47.973 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 29.681 2.842 47.358 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 30.114 3.357 48.714 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 27.165 54.499 35.246 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 26.903 55.077 34.530 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 26.845 54.935 36.036 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 27.714 51.775 5.975 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 28.517 52.149 5.613 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 27.209 52.532 6.272 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 38.703 33.562 15.765 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 38.431 34.101 16.507 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 39.616 33.341 15.951 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 22.034 53.088 26.284 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 22.347 53.648 25.575 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 22.656 53.232 26.997 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 20.699 79.768 45.563 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 19.929 80.200 45.193 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 21.061 80.407 46.176 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 55.322 38.114 47.615 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 54.990 38.820 47.061 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 55.419 37.369 47.022 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 57.161 43.246 37.799 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 56.498 43.401 38.471 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 56.922 43.836 37.084 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 83.714 11.646 5.120 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 84.112 12.514 5.062 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 83.385 11.473 4.238 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 29.281 17.551 3.055 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 29.019 18.463 3.182 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 30.221 17.595 2.877 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 54.965 67.492 -12.920 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 55.697 67.397 -12.310 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 54.861 66.622 -13.306 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 84.411 16.292 5.618 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 84.657 16.841 4.873 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 84.482 16.872 6.376 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 63.957 37.803 60.335 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 64.642 37.805 61.003 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 63.188 38.161 60.778 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 40.732 75.748 16.616 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 40.588 74.989 17.181 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 39.867 75.953 16.264 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 54.782 53.079 18.144 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 54.463 52.954 17.250 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 54.337 52.402 18.654 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 74.017 24.895 -8.792 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 74.802 24.505 -9.176 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 73.317 24.274 -8.992 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 63.642 51.324 24.693 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 62.887 50.759 24.859 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 63.373 52.184 25.017 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 42.511 18.840 -5.353 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 41.909 18.505 -4.688 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 41.959 19.360 -5.937 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 47.307 38.180 66.931 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 47.976 38.822 66.694 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 47.799 37.388 67.145 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 47.605 16.010 -17.264 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 47.140 16.822 -17.066 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 48.207 16.244 -17.970 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 88.250 40.194 54.422 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 88.923 39.927 55.047 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 87.805 40.927 54.847 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 66.223 42.137 -7.650 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 65.533 41.641 -8.091 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 66.085 43.042 -7.931 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 71.159 27.990 58.249 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 71.766 27.331 57.913 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 71.721 28.644 58.665 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 62.938 66.719 43.617 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 62.102 66.974 44.006 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 62.916 67.090 42.735 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 71.313 35.358 45.032 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 71.035 36.263 45.177 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 71.895 35.165 45.767 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 46.334 74.687 14.958 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 46.828 74.763 15.774 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 46.277 73.745 14.799 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 70.718 55.406 23.554 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 69.849 55.484 23.161 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 70.549 55.151 24.461 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 26.416 83.211 -9.086 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 26.587 82.599 -9.801 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 25.930 83.928 -9.494 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 54.407 39.260 -2.767 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 53.558 39.594 -3.056 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 54.970 40.034 -2.731 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 71.709 54.075 60.275 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 71.859 54.173 59.334 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 71.376 54.927 60.555 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 53.305 21.020 34.958 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 52.994 20.242 34.495 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 53.781 21.520 34.295 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 87.228 20.892 0.624 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 87.212 21.751 0.201 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 88.001 20.916 1.188 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 55.357 94.578 65.238 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 55.532 94.947 64.372 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 54.882 95.267 65.702 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 61.573 37.065 -13.712 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 61.767 36.344 -13.113 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 61.070 37.686 -13.186 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 59.045 59.817 -0.129 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 58.165 59.787 0.247 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 59.464 60.564 0.299 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 58.722 29.908 -10.849 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 57.881 29.456 -10.777 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 58.799 30.402 -10.033 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 25.297 68.356 54.392 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 24.629 68.111 53.753 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 25.104 69.269 54.605 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 62.942 20.764 -18.579 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 63.393 20.505 -17.775 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 63.547 21.367 -19.011 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 36.635 26.385 15.092 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 35.853 26.473 15.639 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 37.321 26.841 15.580 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 55.190 82.997 60.555 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 55.012 83.128 59.624 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 55.713 82.196 60.589 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 61.808 33.708 50.212 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 61.833 34.351 50.921 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 61.092 33.999 49.648 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 82.451 63.309 58.899 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 82.836 62.641 58.332 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 81.869 62.823 59.483 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 40.411 62.344 50.122 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 39.688 62.068 49.558 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 40.215 63.257 50.332 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 72.856 92.095 38.856 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 72.304 92.656 39.401 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 73.008 92.605 38.061 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 37.503 25.024 49.472 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 37.812 24.660 48.643 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 38.191 24.808 50.102 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 74.530 85.574 65.837 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 74.770 84.850 66.415 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 74.781 86.361 66.320 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 70.232 43.088 18.683 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 70.958 42.757 18.154 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 69.523 43.231 18.055 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 34.584 19.598 11.979 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 35.109 20.358 11.728 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 35.151 18.847 11.804 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 51.108 47.216 -3.930 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 51.741 46.672 -3.463 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 50.590 47.630 -3.239 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 77.922 24.047 39.474 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 77.495 23.349 38.978 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 77.595 24.856 39.080 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 60.616 27.689 21.299 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 60.390 28.618 21.347 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 59.924 27.248 21.792 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 86.194 78.560 66.766 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 86.626 77.748 66.500 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 86.068 78.465 67.710 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 31.390 47.831 36.284 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 31.147 46.919 36.123 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 31.425 48.228 35.414 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 41.278 0.982 26.464 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 40.920 1.152 25.592 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 41.594 1.834 26.764 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 66.966 95.105 39.435 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 67.382 95.964 39.366 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 67.010 94.745 38.549 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 67.487 85.800 10.760 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 66.866 86.420 10.376 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 68.323 86.010 10.345 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 78.518 38.664 17.106 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 78.925 37.797 17.119 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 77.715 38.544 16.599 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 34.031 55.914 -14.428 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 33.602 56.751 -14.257 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 34.919 56.025 -14.088 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 80.747 87.262 28.213 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 80.734 88.212 28.326 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 80.398 87.120 27.332 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 32.063 57.019 30.188 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 31.522 57.746 30.495 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 32.939 57.214 30.520 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 64.561 40.625 28.861 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 64.105 41.400 28.535 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 64.703 40.085 28.084 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 75.707 82.716 -10.043 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 75.209 83.122 -9.334 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 75.261 82.999 -10.842 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 53.131 16.315 -3.900 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 52.388 16.755 -4.313 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 53.534 16.988 -3.351 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 71.265 85.509 20.735 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 70.923 86.050 21.447 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 70.824 84.666 20.840 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 68.631 3.038 34.218 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 67.899 3.654 34.194 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 69.173 3.280 33.467 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 33.677 24.873 -12.733 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 32.851 25.257 -13.028 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 33.416 24.187 -12.118 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 86.736 45.620 38.342 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 86.308 44.867 37.935 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 86.042 46.274 38.427 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 66.810 67.483 10.846 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 66.092 66.980 11.231 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 66.932 67.101 9.977 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 30.386 28.283 -11.960 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 29.624 28.358 -11.386 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 30.244 28.945 -12.636 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 46.007 53.716 26.875 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 46.288 54.352 26.218 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 46.007 52.877 26.413 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 79.190 23.865 -12.503 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 79.827 23.162 -12.631 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 79.718 24.661 -12.451 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 59.975 44.519 -2.722 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 60.600 44.116 -2.119 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 59.356 44.978 -2.155 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 59.797 83.834 -13.768 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 59.396 83.968 -12.909 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 60.663 84.237 -13.694 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 73.315 33.554 6.270 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 74.144 33.657 6.738 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 72.807 32.951 6.812 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 53.145 58.133 17.737 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 53.143 57.345 17.193 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 52.775 57.848 18.573 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 20.409 87.391 22.512 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 20.444 86.434 22.509 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 21.325 87.665 22.537 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 78.578 77.944 19.164 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 78.910 77.878 20.059 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 77.738 77.485 19.184 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 60.097 2.253 66.479 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 60.402 1.507 65.962 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 60.874 2.552 66.951 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 38.853 96.056 8.896 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 39.651 96.006 8.370 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 38.406 96.841 8.581 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 64.499 1.305 8.408 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 64.446 2.111 7.896 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 64.190 0.622 7.813 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 23.382 67.664 6.830 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 22.559 67.271 6.540 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 23.116 68.367 7.423 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 33.838 6.235 18.643 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 34.168 7.133 18.630 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 33.301 6.188 19.434 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 73.508 20.164 59.286 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 73.337 20.519 60.159 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 73.105 20.794 58.688 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 22.767 50.170 63.153 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 21.841 49.949 63.254 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 23.072 50.335 64.045 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 46.469 60.653 10.595 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 47.219 60.205 10.986 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 46.792 61.532 10.397 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 53.524 12.361 20.872 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 52.960 13.130 20.953 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 52.961 11.689 20.489 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 20.663 54.096 0.811 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 21.041 54.044 1.689 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 19.797 54.483 0.945 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 75.853 30.713 60.508 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 76.796 30.783 60.363 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 75.707 31.145 61.349 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 43.834 29.793 44.240 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 43.293 30.359 43.689 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 44.492 30.380 44.613 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 80.116 77.524 -8.651 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 79.468 77.895 -8.052 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 80.179 76.604 -8.396 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 83.136 36.472 26.472 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 83.133 36.814 25.578 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 82.888 37.219 27.016 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 65.586 61.263 13.308 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 65.734 60.869 14.167 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 65.351 60.526 12.744 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 86.885 39.310 -14.814 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 86.383 39.448 -14.011 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 87.747 39.023 -14.512 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 75.676 67.959 9.325 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 74.867 67.890 8.818 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 76.104 67.111 9.211 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 48.745 1.838 45.809 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 49.271 2.330 45.178 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 48.343 1.139 45.294 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 34.085 56.827 9.298 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 34.867 57.358 9.150 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 34.420 55.944 9.456 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 69.418 95.931 -19.786 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 70.135 95.447 -20.194 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 69.698 96.058 -18.880 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 75.032 14.776 39.799 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 75.733 14.195 39.504 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 75.329 15.653 39.556 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 66.774 54.801 18.575 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 66.424 53.949 18.835 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 66.217 55.078 17.847 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 31.869 95.524 34.455 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 31.452 94.701 34.709 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 32.037 95.974 35.284 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 46.235 84.433 7.537 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 45.798 83.634 7.244 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 46.772 84.155 8.279 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 67.738 81.076 26.715 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 67.876 81.261 25.786 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 68.568 81.309 27.132 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 45.672 15.987 -3.462 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 46.103 15.953 -2.608 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 45.806 15.115 -3.833 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 49.188 35.264 59.057 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 48.293 35.505 59.296 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 49.606 36.094 58.827 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 63.421 32.916 -10.079 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 63.486 33.228 -9.176 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 62.784 32.202 -10.041 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 56.694 82.135 55.567 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 55.938 81.732 55.139 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 56.441 83.050 55.689 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 63.886 73.450 18.423 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 63.697 72.511 18.414 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 63.038 73.867 18.271 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 34.022 65.650 49.421 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 34.500 65.199 48.725 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 34.693 65.878 50.064 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 28.849 74.348 27.629 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 29.202 74.649 26.791 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 29.619 74.077 28.129 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 21.906 33.280 36.910 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 22.269 32.415 36.718 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 21.081 33.306 36.424 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 64.420 18.399 61.368 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 64.134 18.780 60.538 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 63.655 17.919 61.687 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 41.746 1.563 2.951 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 41.787 1.737 2.010 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 40.850 1.793 3.198 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 33.429 82.903 46.755 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 34.144 82.268 46.800 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 33.718 83.544 46.105 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 46.650 7.169 -13.357 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 45.774 7.372 -13.686 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 46.970 7.998 -13.002 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 84.081 34.545 40.928 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 84.913 34.889 40.602 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 83.922 33.762 40.402 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 36.810 81.468 34.313 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 36.395 80.705 33.909 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 36.410 81.528 35.180 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 22.408 60.693 -0.296 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 22.821 60.938 0.533 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 22.328 59.740 -0.251 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 58.634 10.755 21.588 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 57.677 10.769 21.554 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 58.908 11.266 20.827 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 73.934 64.186 46.924 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 74.543 64.775 47.369 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 73.734 64.627 46.098 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 70.102 38.365 65.053 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 70.065 37.448 64.783 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 70.490 38.342 65.928 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 54.337 16.861 -16.605 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 53.565 16.978 -16.052 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 54.032 17.064 -17.490 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 75.609 85.144 18.924 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 74.740 85.494 19.120 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 75.448 84.445 18.290 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 38.671 70.298 21.086 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 39.051 69.764 21.784 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 39.154 70.045 20.300 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 69.360 67.379 24.412 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 69.467 68.005 23.696 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 70.008 66.697 24.233 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 42.272 57.163 45.378 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 42.409 58.099 45.235 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 41.974 56.832 44.530 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 48.338 70.245 7.083 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 48.141 70.009 7.989 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 49.186 70.688 7.129 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 46.503 53.475 -11.741 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 46.233 52.959 -10.981 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 46.688 54.344 -11.387 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 79.201 77.184 -1.805 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 79.366 77.334 -2.736 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 78.624 76.421 -1.784 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 90.009 50.195 63.831 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 89.439 49.881 63.129 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 90.029 51.145 63.717 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 28.406 1.388 -2.290 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 27.973 2.189 -1.995 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 29.044 1.684 -2.939 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 86.830 34.038 46.184 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 87.260 34.869 46.384 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 86.303 33.848 46.960 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 22.275 70.898 -0.609 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 22.626 70.415 -1.356 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 22.114 70.228 0.056 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 56.496 16.612 17.298 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 57.335 17.011 17.527 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 56.085 17.240 16.704 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 25.086 92.602 -0.093 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 25.328 91.815 0.394 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 24.191 92.792 0.186 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 26.315 67.136 17.706 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 27.065 67.379 17.162 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 26.675 67.063 18.590 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 89.077 72.719 62.832 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 89.205 73.470 63.410 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 88.933 71.981 63.424 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 40.136 11.373 46.469 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 41.066 11.438 46.685 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 39.685 11.680 47.256 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 43.506 45.078 51.266 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 43.561 45.068 52.222 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 43.062 45.901 51.060 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 82.467 80.864 20.938 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 83.338 81.185 21.169 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 82.117 80.510 21.756 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 62.767 15.064 64.621 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 61.818 15.097 64.499 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 62.928 15.611 65.390 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 20.806 18.794 55.252 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 21.217 19.658 55.261 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 20.019 18.907 54.719 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 86.566 0.539 16.645 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 86.208 1.050 15.919 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 86.487 -0.371 16.361 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 53.619 94.821 12.180 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 53.458 94.297 11.396 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 54.531 95.100 12.100 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 25.709 90.063 46.165 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 25.283 90.473 45.412 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 26.632 90.301 46.077 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 28.228 24.206 65.167 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 28.487 23.871 66.025 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 28.365 23.469 64.571 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 74.166 35.818 -11.317 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 74.373 35.300 -10.540 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 75.017 36.008 -11.712 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 54.565 85.974 6.257 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 53.730 86.006 6.724 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 55.188 85.640 6.903 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 83.608 93.405 16.103 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 84.068 93.232 16.925 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 83.368 94.330 16.153 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 62.936 2.219 18.168 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 63.878 2.266 18.328 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 62.561 1.964 19.011 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 44.844 77.555 18.317 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 44.629 77.079 17.515 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 44.412 77.060 19.013 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 88.984 54.435 36.930 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 88.427 54.303 37.697 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 89.758 54.884 37.270 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 25.893 86.120 3.733 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 25.516 86.353 2.885 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 26.633 85.551 3.519 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 61.043 85.227 -4.986 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 60.469 85.931 -5.289 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 60.494 84.443 -5.011 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 66.850 27.007 38.342 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 66.779 26.376 39.058 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 67.373 26.558 37.677 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 43.787 11.292 5.269 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 43.529 11.165 6.182 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 44.107 12.193 5.232 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 54.320 63.390 11.039 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 54.895 63.094 11.745 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 54.849 64.017 10.546 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 71.289 40.489 -4.859 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 71.113 41.423 -4.745 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 71.150 40.329 -5.792 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 66.184 83.488 65.842 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 66.374 84.102 65.133 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 65.756 82.748 65.411 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 34.445 90.385 -7.140 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 33.607 90.465 -6.685 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 35.052 90.068 -6.471 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 57.369 94.449 27.755 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 57.561 94.993 28.519 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 57.364 95.060 27.019 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 29.391 1.943 2.282 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 29.893 1.198 1.951 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 29.633 2.669 1.707 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 60.474 6.882 22.135 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 60.094 7.140 21.295 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 60.075 7.474 22.772 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 61.485 91.542 -11.389 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 60.749 90.930 -11.386 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 61.142 92.331 -10.969 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 57.247 96.118 0.367 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 57.232 95.328 0.908 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 57.836 96.714 0.830 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 80.765 57.778 54.634 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 81.407 58.409 54.309 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 81.269 56.978 54.783 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 89.954 32.441 42.283 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 89.422 32.234 41.515 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 89.737 31.756 42.916 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 69.467 32.736 36.507 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 69.693 33.666 36.493 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 68.637 32.698 36.982 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 83.770 85.795 63.408 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 84.687 85.865 63.143 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 83.292 85.665 62.588 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 40.699 49.325 -10.818 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 41.631 49.348 -11.038 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 40.609 49.941 -10.092 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 33.631 2.240 0.967 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 33.683 3.066 1.447 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 32.769 1.887 1.188 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 34.233 89.848 3.186 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 33.578 90.408 3.604 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 34.675 89.412 3.915 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 64.800 1.082 -17.156 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 64.281 0.537 -16.566 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 65.707 0.929 -16.890 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 64.123 73.221 -19.011 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 63.369 73.797 -18.878 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 64.022 72.537 -18.349 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 25.199 37.659 -11.368 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 24.825 38.449 -10.977 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 26.098 37.904 -11.589 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 64.467 58.707 -12.279 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 64.178 59.240 -13.020 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 63.771 58.802 -11.629 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 70.349 61.920 31.458 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 69.808 61.827 32.242 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 69.816 61.550 30.754 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 85.256 4.000 49.464 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 84.491 4.552 49.303 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 85.045 3.167 49.042 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 25.689 0.298 -15.374 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 26.540 0.651 -15.116 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 25.729 0.249 -16.329 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 56.692 74.365 26.197 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 56.762 73.410 26.209 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 55.952 74.544 25.617 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 89.896 51.918 27.589 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 90.606 52.319 27.089 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 89.101 52.158 27.112 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 49.879 39.345 66.722 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 50.637 39.721 66.274 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 50.236 38.974 67.528 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 40.858 69.389 52.205 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 41.708 69.505 51.782 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 41.012 68.723 52.875 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 50.272 30.490 56.615 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 49.570 30.664 55.987 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 49.961 30.874 57.435 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 52.083 91.309 15.121 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 52.768 91.460 14.469 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 52.378 90.537 15.604 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 48.393 75.652 31.560 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 48.498 74.720 31.369 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 48.335 75.696 32.515 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 39.342 66.508 -2.944 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 39.417 66.468 -1.991 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 38.403 66.435 -3.114 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 82.180 73.756 -2.244 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 81.230 73.650 -2.277 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 82.526 72.907 -2.521 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 32.912 27.864 22.711 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 33.009 28.632 23.273 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 32.022 27.555 22.878 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 89.536 58.006 6.832 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 88.917 57.292 6.679 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 90.397 57.590 6.797 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 83.361 9.912 51.566 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 82.580 9.654 52.056 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 83.770 9.084 51.314 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 58.556 5.235 -1.832 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 58.749 6.168 -1.744 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 58.644 4.887 -0.944 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 73.860 79.442 56.636 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 74.469 79.370 57.371 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 73.162 78.819 56.842 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 61.531 91.183 -1.672 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 60.894 90.567 -1.309 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 61.007 91.786 -2.200 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 22.914 22.205 4.623 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 23.540 22.171 5.346 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 22.253 21.550 4.846 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 79.796 32.759 11.777 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 80.421 32.205 11.309 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 79.389 32.175 12.416 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 53.698 35.071 46.913 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 54.598 35.398 46.904 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 53.601 34.613 46.078 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 67.462 25.332 64.785 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 67.692 25.654 63.913 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 68.303 25.219 65.229 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 79.483 73.451 -1.923 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 79.249 72.785 -1.278 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 78.682 73.961 -2.043 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 25.664 45.594 36.415 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 25.130 45.781 35.644 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 25.995 44.707 36.269 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 32.178 7.418 -7.229 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 32.659 7.704 -6.452 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 31.258 7.554 -7.005 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 85.619 42.568 47.770 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 86.239 42.279 48.439 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 85.110 43.257 48.197 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 66.930 70.312 31.370 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 66.852 70.016 30.463 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 67.489 69.658 31.789 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 38.704 84.671 -12.494 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 38.154 83.990 -12.109 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 38.411 85.481 -12.078 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 88.327 51.337 34.476 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 87.596 51.855 34.812 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 88.046 51.063 33.603 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 42.480 67.637 53.950 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 43.134 68.149 54.426 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 42.623 66.736 54.239 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 27.704 81.947 30.765 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 27.160 82.108 31.536 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 28.326 82.674 30.753 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 31.532 88.073 -0.350 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 31.578 88.929 -0.776 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 32.211 88.105 0.324 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 68.687 11.960 39.043 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 68.009 12.428 38.555 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 68.869 11.182 38.516 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 29.924 4.294 29.455 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 29.151 4.836 29.300 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 30.064 3.832 28.629 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 25.340 59.560 6.880 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 25.892 60.327 7.035 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 24.653 59.874 6.292 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 62.304 88.467 2.414 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 62.417 88.470 1.463 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 61.453 88.050 2.553 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 48.539 93.382 32.435 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 49.008 93.035 33.193 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 48.259 92.605 31.950 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 43.582 38.453 57.265 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 44.080 39.239 57.041 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 43.149 38.203 56.449 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 84.295 88.174 26.142 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 84.759 88.517 26.906 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 83.765 87.455 26.487 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 35.659 95.618 57.580 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 35.918 96.422 58.030 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 36.124 94.922 58.045 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 28.657 33.562 11.800 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 28.590 33.680 10.852 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 29.537 33.866 12.019 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 54.197 32.008 -4.226 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 54.333 31.680 -3.337 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 53.569 32.723 -4.125 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 31.420 36.912 -3.554 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 31.898 37.559 -4.073 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 32.085 36.520 -2.988 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 27.818 42.098 -10.457 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 27.391 42.488 -11.219 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 28.511 41.550 -10.824 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 52.995 80.880 -9.862 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 52.460 80.093 -9.760 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 52.462 81.465 -10.400 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 65.538 84.986 2.124 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 66.182 84.296 2.283 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 66.030 85.801 2.224 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 79.445 12.704 57.630 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 79.971 12.567 58.417 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 78.758 12.039 57.681 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 35.445 3.280 43.270 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 35.170 2.368 43.365 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 36.132 3.256 42.603 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 59.623 35.396 61.578 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 60.071 36.242 61.566 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 60.113 34.875 62.215 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 31.942 27.091 47.532 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 32.183 27.999 47.352 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 31.692 26.735 46.679 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 54.544 90.021 -6.180 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 53.943 90.268 -5.478 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 55.225 90.694 -6.162 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 72.869 73.182 -2.469 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 71.950 72.965 -2.626 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 73.359 72.489 -2.913 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 85.539 85.162 26.148 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 84.946 85.703 26.668 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 85.971 84.595 26.788 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 83.535 76.387 3.944 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 84.425 76.734 3.891 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 83.524 75.877 4.754 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 81.964 77.285 -16.551 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 82.730 76.836 -16.193 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 82.327 78.006 -17.065 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 29.181 7.828 12.424 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 29.273 7.737 13.372 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 29.065 8.768 12.284 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 74.618 17.856 -0.484 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 74.424 18.537 0.160 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 73.893 17.236 -0.403 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 64.475 53.837 13.230 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 65.042 54.605 13.302 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 63.957 53.845 14.036 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 48.939 1.442 48.681 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 49.821 1.071 48.697 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 48.715 1.490 47.752 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 39.992 30.983 -9.533 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 40.062 31.342 -8.649 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 39.074 31.106 -9.771 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 70.198 79.466 45.142 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 69.868 80.002 45.863 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 69.411 79.138 44.706 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 58.293 83.839 19.561 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 57.391 83.546 19.431 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 58.208 84.692 19.987 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 54.524 31.560 17.770 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 54.585 32.061 18.583 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 53.728 31.037 17.869 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 22.953 57.091 62.200 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 23.356 57.951 62.323 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 23.685 56.509 61.996 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 79.602 54.498 -11.235 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 78.903 54.096 -11.752 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 80.407 54.103 -11.572 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 23.365 29.732 63.743 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 22.763 30.030 64.424 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 24.210 29.655 64.186 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 57.705 88.454 41.245 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 58.071 87.659 40.857 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 57.247 88.150 42.028 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 39.800 1.430 -16.569 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 39.816 1.668 -15.642 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 40.385 0.675 -16.633 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 30.376 34.014 56.408 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 29.796 34.553 55.870 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 30.824 34.639 56.978 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 46.505 18.217 -16.562 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 47.082 18.853 -16.985 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 45.898 18.750 -16.047 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 44.826 49.057 38.155 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 45.572 49.174 37.567 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 44.440 48.223 37.888 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 27.017 22.436 11.085 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 27.138 21.587 11.511 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 27.890 22.827 11.078 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 53.243 52.442 -4.219 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 52.462 52.995 -4.179 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 53.383 52.159 -3.316 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 69.038 80.402 35.991 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 68.714 80.672 35.131 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 69.581 79.635 35.813 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 50.818 3.762 63.038 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 51.255 3.163 63.643 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 51.194 3.555 62.182 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 58.950 4.570 10.244 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 58.708 3.657 10.398 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 58.311 5.076 10.745 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 42.081 14.715 -16.113 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 42.958 15.070 -16.263 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 42.210 13.768 -16.069 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 68.704 89.348 58.349 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 68.086 89.413 57.621 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 68.490 90.092 58.912 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 47.929 10.879 21.536 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 47.519 11.580 21.030 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 47.347 10.128 21.422 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 45.279 19.831 -7.197 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 44.585 20.439 -7.453 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 44.870 19.261 -6.546 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 51.193 86.229 49.304 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 51.931 86.498 49.853 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 50.485 86.055 49.924 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 45.786 90.701 18.065 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 46.704 90.882 18.266 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 45.326 90.847 18.891 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 48.163 90.782 63.233 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 48.755 90.270 62.682 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 48.067 91.615 62.773 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 50.657 45.355 64.759 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 51.407 44.806 64.532 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 50.265 45.586 63.917 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 47.447 12.350 46.268 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 47.714 12.328 45.349 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 46.651 11.820 46.300 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 40.898 88.662 -8.051 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 40.795 89.026 -7.172 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 40.575 89.348 -8.635 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 75.638 53.266 -0.507 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 74.882 53.482 -1.052 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 76.071 54.106 -0.353 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 57.385 86.153 1.883 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 56.856 86.667 1.272 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 56.781 85.927 2.591 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 73.163 58.101 15.428 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 72.501 57.417 15.530 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 73.929 57.643 15.083 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 64.087 32.230 32.828 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 64.670 32.246 32.070 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 63.281 32.645 32.520 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 78.326 41.970 7.515 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 78.151 41.995 8.455 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 77.737 42.628 7.144 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 37.730 75.944 20.131 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 37.446 75.765 21.027 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 38.637 75.640 20.101 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 39.366 45.356 41.185 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 38.771 44.634 41.383 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 40.103 44.943 40.735 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 84.349 55.239 66.653 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 85.013 55.304 65.967 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 83.610 54.801 66.231 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 57.874 34.076 39.437 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 58.371 34.710 39.954 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 58.535 33.623 38.913 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 31.137 48.934 29.199 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 31.507 48.915 28.317 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 31.729 48.390 29.719 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 32.429 34.413 4.182 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 31.742 33.955 4.667 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 33.100 34.601 4.838 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 77.621 39.573 11.640 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 77.031 40.035 12.236 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 77.569 40.066 10.821 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 26.450 39.830 21.792 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 25.898 40.460 22.255 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 27.345 40.085 22.016 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 28.923 51.520 28.934 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 29.313 51.810 28.109 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 28.768 52.329 29.423 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 88.016 95.665 39.736 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 88.715 96.250 39.445 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 88.304 94.794 39.465 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 45.236 90.277 27.588 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 46.056 90.206 28.078 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 44.883 91.133 27.834 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 49.763 25.436 36.220 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 50.309 24.661 36.088 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 50.071 26.061 35.564 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 81.973 69.236 56.611 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 82.694 68.856 57.114 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 82.398 69.668 55.871 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 26.608 24.706 -9.986 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 25.669 24.532 -9.919 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 26.775 25.375 -9.322 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 37.314 27.434 -3.022 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 37.269 28.131 -2.367 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 38.171 27.031 -2.884 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 38.216 59.292 -16.899 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 38.689 59.641 -17.655 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 37.821 60.061 -16.488 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 49.064 56.039 3.883 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 48.748 56.499 4.661 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 49.896 56.463 3.675 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 51.902 24.529 -10.084 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 52.777 24.576 -9.701 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 51.470 23.818 -9.611 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 23.175 43.933 14.788 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 22.797 43.187 15.253 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 23.969 44.145 15.280 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 29.658 22.793 -19.482 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 29.376 22.996 -18.590 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 29.355 21.897 -19.630 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 81.935 58.963 4.314 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 81.780 58.628 5.197 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 81.361 58.440 3.755 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 71.273 19.558 41.800 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 70.874 19.409 40.943 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 72.159 19.864 41.603 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 69.814 8.091 -3.969 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 69.432 8.486 -3.185 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 69.500 7.187 -3.959 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 53.122 47.907 52.749 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 52.251 48.232 52.522 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 53.682 48.195 52.028 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 79.736 23.020 57.638 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 79.135 23.533 57.098 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 80.277 22.544 57.008 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 39.037 15.041 41.098 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 39.863 15.043 40.614 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 38.416 15.478 40.516 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 68.726 48.674 -9.780 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 69.213 48.039 -9.254 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 69.028 49.526 -9.468 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 22.595 21.588 36.096 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 22.341 21.858 35.213 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 23.551 21.553 36.071 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 38.893 48.987 26.061 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 39.439 48.455 26.641 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 39.445 49.734 25.831 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 75.103 21.428 15.189 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 75.556 20.709 15.630 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 74.674 21.016 14.439 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 87.381 64.816 54.986 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 88.218 65.000 55.413 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 87.079 64.003 55.392 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 62.021 77.035 24.845 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 62.387 77.223 25.709 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 61.692 76.139 24.913 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 39.388 81.405 -14.003 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 39.825 82.051 -14.558 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 40.033 81.191 -13.329 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 32.241 65.623 52.104 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 32.826 64.913 51.840 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 31.948 66.012 51.280 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 78.233 32.169 21.074 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 78.802 32.608 20.442 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 78.485 32.538 21.921 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 61.274 10.477 43.396 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 61.003 10.986 44.160 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 60.454 10.248 42.958 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 43.040 43.475 44.285 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 43.450 43.576 43.426 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 42.577 44.300 44.429 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 31.596 46.307 -5.530 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 32.035 46.672 -4.762 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 31.193 47.062 -5.958 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 30.122 44.082 39.441 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 29.712 44.144 38.578 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 29.572 44.623 40.007 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 34.130 29.222 43.932 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 34.405 29.380 43.029 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 34.301 28.291 44.076 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 80.052 59.556 7.784 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 80.156 58.790 8.349 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 79.124 59.555 7.547 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 45.437 50.603 47.064 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 45.114 50.405 46.185 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 46.284 50.161 47.114 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 54.853 3.874 -14.647 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 55.290 3.702 -13.812 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 55.172 4.736 -14.912 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 23.956 47.634 -7.708 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 24.616 47.617 -8.401 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 24.129 48.445 -7.231 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 86.587 50.692 9.163 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 87.248 50.065 9.454 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 86.007 50.798 9.917 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 59.867 26.910 -3.484 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 59.059 27.416 -3.398 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 59.795 26.229 -2.815 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 65.484 85.652 34.138 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 64.584 85.456 34.400 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 65.621 85.135 33.345 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 73.299 81.775 52.807 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 72.449 81.414 52.558 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 73.342 81.655 53.756 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 38.591 72.142 -11.987 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 38.482 72.333 -11.055 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 39.388 71.613 -12.032 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 57.939 65.973 56.755 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 58.404 65.272 57.212 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 57.746 66.617 57.436 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 62.249 37.047 41.414 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 62.455 37.045 40.480 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 61.391 37.467 41.471 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 47.542 13.372 -16.821 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 47.858 14.171 -17.244 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 47.817 13.459 -15.908 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 41.979 45.704 17.471 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 42.616 46.347 17.159 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 41.628 46.085 18.276 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 33.569 44.658 -6.660 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 33.283 45.220 -5.940 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 32.930 44.816 -7.356 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 87.932 27.147 46.319 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 87.525 26.286 46.411 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 88.425 27.268 47.130 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 30.435 96.375 32.412 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 29.666 96.661 32.906 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 31.049 96.069 33.080 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 71.227 72.489 33.921 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 71.429 73.404 34.115 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 70.374 72.340 34.329 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 77.743 31.097 17.101 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 77.819 30.494 17.841 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 78.627 31.442 16.981 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 53.528 45.414 -13.954 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 53.210 44.514 -14.024 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 53.653 45.551 -13.015 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 57.352 33.317 52.155 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 58.110 33.698 52.597 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 56.627 33.903 52.373 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 64.892 63.529 -16.771 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 63.949 63.568 -16.929 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 65.086 62.594 -16.703 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 62.959 46.906 -12.781 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 62.233 46.316 -12.581 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 63.175 47.314 -11.942 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 71.332 15.108 61.377 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 70.499 15.005 61.836 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 71.126 14.921 60.461 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 75.842 61.437 -18.823 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 74.965 61.183 -19.109 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 75.692 62.120 -18.168 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 71.639 37.480 7.225 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 70.888 38.033 7.442 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 71.757 36.923 7.994 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 62.387 59.350 -1.325 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 61.810 59.843 -1.908 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 62.374 58.458 -1.672 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 74.676 10.425 -6.866 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 75.047 10.417 -7.749 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 73.740 10.275 -6.998 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 66.754 74.224 44.137 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 66.622 74.644 44.986 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 67.049 74.931 43.562 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 49.609 43.724 2.592 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 49.600 43.306 3.454 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 50.531 43.921 2.430 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 56.866 56.996 0.673 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 56.896 57.947 0.785 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 55.988 56.748 0.963 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 24.094 32.867 60.654 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 23.836 33.735 60.965 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 23.407 32.620 60.035 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 31.354 80.970 41.465 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 31.530 80.537 42.301 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 30.423 81.188 41.499 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 68.909 26.358 62.575 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 69.097 27.297 62.583 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 68.349 26.232 61.809 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 42.078 11.146 15.835 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 42.770 10.500 15.975 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 42.492 11.832 15.311 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 50.156 39.182 8.333 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 50.535 39.495 9.155 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 49.356 38.727 8.596 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 80.017 82.302 -8.075 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 79.643 83.130 -7.774 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 79.384 81.969 -8.710 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 33.715 46.607 16.392 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 34.467 46.717 15.810 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 33.782 47.334 17.011 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 58.579 34.131 10.162 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 58.524 33.558 10.927 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 58.186 34.955 10.451 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 32.227 24.511 56.830 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 31.372 24.390 56.416 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 32.767 24.918 56.152 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 39.862 69.102 -18.974 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 40.673 69.559 -19.198 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 39.755 68.449 -19.666 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 53.394 30.604 -12.611 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 54.048 31.071 -12.090 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 52.710 30.370 -11.983 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 49.117 87.109 41.938 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 49.472 86.830 42.782 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 49.528 86.526 41.300 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 77.074 59.408 8.720 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 76.825 58.831 9.442 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 76.756 60.272 8.983 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 77.403 35.671 4.654 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 77.245 35.677 5.598 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 76.533 35.577 4.266 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 67.014 41.111 6.945 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 67.554 41.542 7.607 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 66.554 40.421 7.422 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 57.214 34.300 7.496 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 57.570 34.231 8.382 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 56.309 33.999 7.576 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 59.322 3.990 15.726 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 60.216 4.245 15.951 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 59.211 3.125 16.120 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 83.318 39.682 -0.772 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 84.115 40.130 -1.055 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 83.606 39.102 -0.067 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 20.708 77.116 23.639 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 20.280 76.874 22.818 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 21.444 76.509 23.713 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 43.491 29.145 -15.044 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 43.555 29.821 -14.369 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 44.390 28.841 -15.165 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 52.552 23.424 41.438 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 52.945 23.735 40.622 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 51.939 22.741 41.163 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 57.203 4.853 21.510 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 58.132 4.965 21.306 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 56.866 5.746 21.591 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 22.353 37.827 -9.842 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 23.096 37.229 -9.768 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 22.699 38.583 -10.315 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 38.418 90.228 -1.456 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 37.673 90.828 -1.430 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 38.815 90.299 -0.588 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 66.142 34.148 -1.070 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 65.858 35.007 -0.758 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 65.334 33.640 -1.144 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 59.867 47.519 -3.315 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 59.611 47.813 -2.440 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 59.728 46.572 -3.299 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 69.581 3.414 31.710 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 69.770 2.735 31.063 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 69.556 4.227 31.204 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 21.567 57.208 31.584 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 21.477 56.267 31.435 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 21.672 57.581 30.708 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 42.415 39.004 35.854 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 41.705 38.874 35.226 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 42.838 39.816 35.573 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 62.710 62.964 -11.172 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 61.884 63.443 -11.251 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 62.457 62.106 -10.833 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 65.762 80.229 43.965 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 66.440 79.875 44.540 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 65.321 79.458 43.610 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 75.536 75.296 58.835 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 75.484 74.411 58.473 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 75.288 75.194 59.754 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 32.513 5.901 -9.520 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 32.382 6.540 -8.820 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 32.100 5.101 -9.194 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 61.207 78.790 35.019 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 61.907 78.513 34.428 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 60.990 78.003 35.519 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 60.586 73.838 5.931 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 61.539 73.917 5.970 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 60.358 73.306 6.693 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 54.332 24.796 65.039 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 54.553 24.865 65.968 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 54.171 25.699 64.763 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 44.066 69.190 55.411 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 44.364 70.093 55.522 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 44.872 68.682 55.312 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 60.554 59.672 -15.204 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 60.336 58.858 -14.751 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 60.392 60.358 -14.556 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 46.799 14.068 -13.979 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 47.482 14.695 -13.742 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 47.058 13.255 -13.545 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 55.480 9.700 22.781 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 55.437 10.482 23.332 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 54.764 9.808 22.154 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 60.077 47.180 13.811 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 59.310 46.735 13.451 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 59.968 47.116 14.760 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 49.640 73.769 58.179 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 49.236 73.013 58.606 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 49.182 73.845 57.342 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 41.481 15.398 52.036 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 41.456 15.491 52.988 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 40.881 16.070 51.713 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 78.916 26.733 59.210 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 79.862 26.755 59.067 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 78.814 26.360 60.085 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 21.997 23.120 -0.981 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 21.293 22.955 -1.608 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 22.504 23.832 -1.371 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 33.841 45.025 58.055 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 34.607 45.594 57.982 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 33.120 45.619 58.266 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 67.842 76.269 5.063 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 66.970 76.407 5.433 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 68.412 76.161 5.824 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 35.700 68.819 59.838 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 34.764 68.894 59.648 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 35.804 67.934 60.186 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 51.515 21.606 21.302 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 51.193 22.242 21.941 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 50.995 21.772 20.516 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 47.118 8.683 59.771 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 46.757 7.999 59.207 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 48.061 8.519 59.776 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 71.613 30.097 20.961 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 70.718 30.094 20.622 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 72.038 30.826 20.509 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 36.565 55.913 60.940 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 36.021 55.596 60.219 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 37.162 55.188 61.127 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 59.802 71.949 46.309 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 60.418 72.657 46.122 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 60.294 71.345 46.866 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 82.854 40.417 3.795 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 83.752 40.086 3.831 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 82.696 40.582 2.866 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 77.983 26.830 62.230 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 77.485 27.115 62.996 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 78.521 27.587 61.998 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 74.047 75.237 19.869 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 73.250 74.738 19.686 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 74.636 74.605 20.281 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 88.091 17.811 52.890 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 87.775 18.344 53.620 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 88.348 18.447 52.223 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 84.800 20.563 41.890 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 84.212 20.944 41.237 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 85.677 20.702 41.533 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 82.310 24.388 65.631 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 82.781 24.214 66.446 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 82.903 24.946 65.127 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 73.402 55.586 46.816 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 72.558 55.336 47.194 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 73.454 56.532 46.952 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 22.178 85.711 -7.402 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 22.596 86.062 -8.188 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 22.892 85.618 -6.771 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 41.829 56.719 17.291 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 41.418 57.581 17.349 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 42.765 56.904 17.214 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 68.771 35.242 -14.973 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 67.830 35.067 -14.999 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 69.107 34.646 -14.303 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 54.454 58.611 -10.363 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 54.906 58.283 -11.141 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 55.137 58.666 -9.695 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 84.377 79.847 43.625 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 84.610 78.929 43.490 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 83.439 79.886 43.438 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 62.086 61.062 39.698 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 61.136 61.141 39.613 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 62.220 60.685 40.567 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 37.276 7.996 43.534 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 37.533 8.906 43.678 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 36.364 8.047 43.246 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 46.826 89.707 15.496 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 47.548 89.335 16.003 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 46.178 89.962 16.153 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 22.271 40.962 22.212 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 23.144 41.140 22.561 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 21.770 41.756 22.401 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 43.388 52.061 27.878 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 44.243 52.486 27.941 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 43.313 51.808 26.958 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 30.150 13.880 45.381 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 30.856 13.337 45.732 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 30.272 14.732 45.800 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 42.615 50.659 35.646 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 43.152 51.060 34.963 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 42.918 51.064 36.459 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 41.429 26.785 -8.290 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 42.380 26.675 -8.316 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 41.239 27.391 -9.007 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 50.338 61.727 -12.607 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 50.329 62.455 -13.228 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 49.504 61.797 -12.143 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 83.119 32.680 4.002 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 82.361 32.104 4.100 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 82.758 33.498 3.660 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 53.668 11.988 23.579 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 53.629 12.125 22.633 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 53.774 12.867 23.945 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 66.290 90.683 6.354 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 66.328 91.135 5.511 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 65.681 89.959 6.212 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 42.503 22.518 -18.722 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 41.832 23.178 -18.548 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 42.126 21.701 -18.395 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 22.198 90.029 -10.270 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 21.539 90.595 -10.673 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 21.879 89.887 -9.379 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 68.574 55.689 -8.910 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 68.587 56.643 -8.824 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 69.081 55.375 -8.161 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 71.305 6.093 -16.281 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 70.883 5.972 -17.132 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 71.886 6.844 -16.406 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 39.083 79.397 63.409 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 38.710 78.725 63.979 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 39.292 78.935 62.598 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 74.774 40.324 10.148 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 73.841 40.535 10.174 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 74.886 39.650 10.818 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 86.401 42.981 66.631 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 86.812 42.392 65.999 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 85.461 42.866 66.490 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 42.970 48.078 35.070 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 42.924 49.021 35.225 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 43.875 47.922 34.803 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 88.892 43.115 22.776 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 88.280 43.844 22.676 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 88.494 42.398 22.282 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 51.789 81.312 37.983 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 51.083 81.266 37.339 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 52.076 82.225 37.960 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 35.946 63.718 2.463 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 36.644 64.336 2.247 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 35.221 64.268 2.761 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 63.608 64.501 21.903 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 63.186 65.312 22.187 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 63.129 63.809 22.359 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 90.099 43.297 39.815 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 89.962 44.136 39.375 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 89.904 42.640 39.147 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 67.996 73.690 39.266 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 67.201 73.924 38.788 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 67.742 72.937 39.800 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 23.962 30.810 39.983 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 24.252 30.674 39.081 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 24.371 30.098 40.476 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 73.789 87.632 62.265 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 73.322 88.237 62.842 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 74.358 88.194 61.738 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 22.333 78.187 53.585 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 22.952 78.901 53.740 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 22.867 77.394 53.624 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 84.446 34.957 -1.707 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 83.534 35.236 -1.626 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 84.576 34.348 -0.980 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 66.804 18.537 -3.449 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 67.561 19.110 -3.321 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 67.057 17.711 -3.038 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 55.922 13.455 48.792 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 55.728 14.281 48.350 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 55.072 13.147 49.108 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 60.497 73.965 30.374 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 60.461 73.496 31.207 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 59.779 73.598 29.859 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 46.690 53.509 59.268 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 47.487 54.007 59.084 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 46.777 53.247 60.184 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 73.844 52.493 21.422 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 72.975 52.376 21.039 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 74.264 53.151 20.868 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 28.188 45.577 25.779 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 27.738 44.890 26.272 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 27.695 46.374 25.973 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 30.388 53.052 54.175 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 30.211 53.872 53.714 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 30.386 52.385 53.489 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 35.856 29.086 13.066 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 36.724 28.939 12.689 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 36.026 29.540 13.891 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 53.588 16.036 -0.858 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 54.054 15.767 -1.649 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 53.999 16.864 -0.607 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 36.734 11.408 40.048 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 37.257 12.209 40.032 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 37.348 10.714 39.808 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 67.332 80.942 -19.263 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 67.830 80.178 -18.970 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 67.997 81.560 -19.566 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 89.484 47.183 2.298 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 89.152 47.992 2.687 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 88.731 46.812 1.836 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 59.831 88.679 -14.481 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 59.178 89.244 -14.895 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 60.481 89.285 -14.124 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 32.393 56.855 12.886 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 33.295 56.637 12.652 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 32.461 57.261 13.750 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 21.607 10.099 50.045 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 22.406 9.786 49.621 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 21.653 11.052 49.970 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 84.919 1.894 47.579 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 84.431 1.539 46.836 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 84.934 1.181 48.218 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 47.036 44.340 0.464 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 47.137 43.451 0.804 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 47.493 44.329 -0.377 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 40.384 88.273 17.482 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 40.972 88.991 17.246 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 40.907 87.482 17.350 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 58.570 11.162 32.771 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 57.630 11.321 32.853 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 58.633 10.358 32.256 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 32.763 82.345 -1.374 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 32.666 83.079 -1.980 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 33.709 82.223 -1.295 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 73.008 41.382 52.969 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 73.563 42.161 52.989 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 72.808 41.208 53.889 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 79.585 18.205 3.898 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 78.775 18.703 4.007 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 80.100 18.410 4.678 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 23.163 77.526 7.856 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 23.975 77.075 7.625 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 23.435 78.211 8.468 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 80.528 50.061 -16.838 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 80.289 50.933 -17.153 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 79.692 49.643 -16.630 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 22.776 77.590 -10.720 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 22.826 76.772 -11.215 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 23.411 77.481 -10.012 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 42.852 28.472 54.991 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 42.565 29.050 55.698 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 42.175 27.797 54.943 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 74.471 57.163 -17.377 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 74.869 57.388 -16.536 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 75.134 57.398 -18.027 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 88.314 0.358 9.922 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 87.922 1.011 9.342 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 87.880 0.494 10.764 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 51.092 54.544 -4.781 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 50.511 54.734 -4.045 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 51.898 55.018 -4.579 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 86.360 57.128 57.550 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 86.542 56.913 56.635 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 87.111 57.653 57.827 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 51.310 8.982 -17.626 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 51.311 8.410 -18.394 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 50.861 8.475 -16.950 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 56.106 31.334 44.659 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 56.671 31.741 44.002 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 55.216 31.517 44.357 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 51.294 20.362 -2.589 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 51.295 20.293 -3.544 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 51.364 21.300 -2.416 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 50.263 12.752 26.957 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 49.456 12.934 26.476 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 50.116 13.130 27.824 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 55.281 94.655 -8.343 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 54.972 94.657 -9.248 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 55.789 93.848 -8.264 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 81.275 95.326 -12.834 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 81.563 95.582 -13.710 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 81.798 94.552 -12.626 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 29.147 38.694 22.862 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 30.043 38.368 22.945 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 29.217 39.632 23.040 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 52.794 54.633 20.508 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 53.171 54.470 19.643 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 52.540 55.556 20.488 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 89.397 47.790 12.810 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 89.000 46.977 13.123 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 90.291 47.544 12.572 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 34.656 62.662 9.467 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 35.568 62.451 9.270 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 34.706 63.408 10.065 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 88.094 35.871 27.720 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 88.406 36.700 28.082 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 87.491 35.532 28.382 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 38.830 78.178 49.106 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 38.621 77.252 48.984 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 38.288 78.633 48.461 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 55.887 36.823 65.349 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 56.588 36.526 64.769 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 55.327 37.364 64.791 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 78.228 71.822 15.849 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 77.848 71.420 15.068 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 77.484 71.961 16.434 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 84.922 79.597 39.169 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 85.074 79.400 40.094 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 84.009 79.350 39.019 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 63.918 7.907 45.930 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 64.204 7.528 45.099 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 63.162 7.380 46.188 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 30.656 80.545 -12.648 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 30.378 81.263 -13.217 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 30.501 80.869 -11.760 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 42.338 53.185 46.637 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 42.598 53.616 47.451 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 43.067 53.342 46.038 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 89.308 78.971 3.755 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 88.455 78.537 3.760 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 89.686 78.766 4.610 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 83.845 54.779 13.547 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 84.572 55.395 13.458 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 83.666 54.754 14.487 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 76.606 89.313 8.875 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 76.703 89.747 8.027 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 75.844 88.744 8.767 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 61.214 94.413 63.015 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 60.792 93.897 63.702 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 61.199 93.846 62.245 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 67.784 24.134 21.691 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 66.830 24.211 21.686 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 68.000 23.774 20.831 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 88.782 25.208 -19.841 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 89.033 26.109 -19.637 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 87.928 25.096 -19.423 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 39.290 8.576 25.412 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 38.820 9.052 24.727 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 40.154 8.988 25.441 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 74.273 88.468 19.172 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 73.948 87.802 18.567 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 74.293 88.031 20.023 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 69.930 57.131 32.160 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 69.411 57.208 31.359 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 69.674 56.286 32.531 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 47.914 20.565 56.108 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 47.104 20.729 55.624 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 48.438 21.354 55.972 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 52.436 44.026 62.863 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 53.122 43.981 63.529 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 52.712 44.732 62.280 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 50.446 14.130 17.313 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 51.345 14.457 17.285 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 50.183 14.229 18.228 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 44.369 50.123 44.159 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 45.236 49.908 43.816 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 43.874 50.416 43.394 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 86.480 39.334 -5.278 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 87.183 38.722 -5.495 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 86.303 39.177 -4.350 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 50.568 9.977 27.015 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 50.986 9.818 26.169 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 50.072 10.786 26.890 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 54.601 12.313 45.441 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 54.116 11.838 46.115 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 55.466 11.904 45.435 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 55.763 12.040 2.303 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 55.091 12.711 2.429 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 55.884 11.657 3.172 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 61.172 32.505 -5.754 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 61.392 32.750 -6.653 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 60.651 33.238 -5.426 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 88.901 79.979 39.575 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 89.129 79.782 38.667 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 88.024 79.614 39.687 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 39.243 1.101 28.619 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 39.726 0.840 27.835 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 39.921 1.288 29.268 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 84.707 21.812 5.262 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 84.948 21.390 4.438 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 85.284 21.414 5.913 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 27.653 1.223 -6.569 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 27.637 1.972 -5.973 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 27.085 0.574 -6.154 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 77.969 34.506 48.550 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 77.619 35.008 47.814 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 78.185 33.652 48.176 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 34.709 9.769 -16.958 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 34.857 9.551 -16.038 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 34.163 10.555 -16.933 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 54.880 82.573 23.532 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 54.652 81.960 24.231 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 54.833 83.436 23.944 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 61.930 94.864 -12.466 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 61.860 94.560 -13.371 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 61.263 94.366 -11.993 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 53.276 25.611 22.463 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 53.461 25.046 23.213 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 52.368 25.413 22.231 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 20.986 68.641 36.769 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 21.565 69.132 36.187 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 21.229 68.930 37.649 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 82.009 26.452 -7.503 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 82.480 27.129 -7.988 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 82.002 26.765 -6.599 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 35.111 91.391 35.401 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 34.614 90.706 35.848 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 35.935 90.969 35.158 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 56.394 84.070 38.785 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 56.034 83.440 38.161 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 56.747 83.532 39.493 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 71.260 78.447 40.573 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 71.695 77.652 40.266 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 71.230 79.017 39.805 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 37.621 58.300 60.337 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 36.964 57.675 60.643 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 38.337 57.754 60.011 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 47.289 89.061 -0.914 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 47.128 89.110 0.028 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 48.196 88.765 -0.988 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 46.787 28.243 35.753 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 46.069 28.872 35.676 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 46.728 27.712 34.959 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 41.650 44.068 -0.809 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 42.218 44.602 -0.254 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 42.249 43.484 -1.275 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 53.100 45.383 53.810 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 53.192 46.256 54.191 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 52.230 45.386 53.411 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 57.461 20.592 9.113 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 56.652 20.112 9.290 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 57.218 21.235 8.447 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 36.055 7.469 56.299 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 35.742 8.084 56.962 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 35.538 7.671 55.520 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 84.419 22.685 -16.251 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 83.963 21.849 -16.342 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 85.324 22.445 -16.053 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 39.259 6.492 42.392 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 39.601 7.355 42.157 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 38.599 6.671 43.062 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 66.721 8.962 -18.303 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 67.414 8.700 -18.910 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 66.493 9.853 -18.571 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 23.434 8.015 -10.962 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 24.113 7.498 -11.396 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 23.671 7.992 -10.035 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 24.544 1.774 7.023 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 25.264 1.144 6.995 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 23.988 1.471 7.741 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 58.296 0.363 29.216 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 57.830 1.198 29.174 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 58.150 0.051 30.108 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 60.405 15.342 -16.510 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 60.318 14.451 -16.172 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 60.722 15.228 -17.407 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 32.149 0.751 -7.254 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 31.237 0.980 -7.432 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 32.099 0.087 -6.566 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 71.403 48.386 26.177 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 71.044 47.930 26.938 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 70.814 49.127 26.040 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 76.960 17.226 51.948 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 76.487 16.408 52.100 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 77.838 16.950 51.686 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 34.136 81.973 2.603 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 34.472 81.081 2.509 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 34.907 82.531 2.508 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 70.686 70.703 59.992 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 71.185 70.942 60.773 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 71.348 70.418 59.362 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 56.113 4.201 32.497 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 56.568 3.360 32.502 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 55.215 3.987 32.243 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 25.875 41.700 -3.582 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 25.067 41.501 -3.109 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 25.596 41.836 -4.488 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 55.037 89.649 30.254 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 55.209 90.566 30.470 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 55.738 89.165 30.690 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 22.176 26.309 -19.446 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 21.398 26.861 -19.370 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 22.881 26.834 -19.067 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 65.975 29.137 64.373 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 66.558 28.578 64.886 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 66.431 29.977 64.321 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 43.736 59.335 -14.599 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 42.822 59.370 -14.879 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 43.706 59.510 -13.659 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 74.730 73.321 53.013 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 74.578 73.574 52.102 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 74.518 72.388 53.041 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 67.181 10.511 13.728 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 67.898 10.991 13.315 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 66.850 9.935 13.038 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 52.750 84.604 44.786 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 53.183 85.453 44.873 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 52.409 84.600 43.892 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 23.391 19.219 7.491 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 22.784 18.615 7.063 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 23.989 19.491 6.796 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 68.379 3.916 25.898 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 68.207 4.205 25.001 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 69.277 3.587 25.875 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 26.474 24.206 -12.978 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 26.355 23.939 -12.067 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 27.415 24.119 -13.133 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 52.961 27.313 -7.522 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 53.786 26.997 -7.154 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 53.168 27.522 -8.433 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 76.544 16.718 36.123 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 77.399 16.321 36.291 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 76.056 16.043 35.650 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 57.335 18.268 -0.069 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 56.782 18.336 0.709 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 56.775 18.558 -0.788 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 33.608 83.781 -11.887 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 32.849 84.325 -11.678 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 33.818 84.000 -12.795 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 89.513 67.069 -11.060 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 89.001 67.645 -11.629 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 90.423 67.312 -11.228 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 78.557 94.188 50.474 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 78.715 93.721 49.653 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 77.603 94.249 50.535 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 50.846 15.590 37.541 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 50.294 15.576 36.759 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 50.230 15.681 38.268 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 64.831 32.564 2.035 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 65.050 33.368 2.507 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 65.283 31.872 2.517 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 75.783 21.521 -6.053 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 76.289 21.762 -5.278 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 76.173 22.030 -6.763 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 46.423 93.362 36.639 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 45.542 93.345 37.012 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 46.309 93.059 35.738 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 77.476 33.817 -12.377 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 78.360 34.095 -12.620 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 77.006 34.634 -12.209 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 77.368 95.604 21.113 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 77.898 95.098 20.498 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 77.244 96.450 20.683 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 85.190 11.817 7.990 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 84.791 12.341 8.685 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 84.470 11.624 7.391 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 74.165 8.610 52.206 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 74.279 7.821 51.675 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 73.455 9.087 51.776 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 37.542 61.621 20.485 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 37.706 61.959 19.605 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 38.399 61.325 20.793 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 73.921 9.594 2.968 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 74.319 9.248 3.766 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 74.272 9.046 2.267 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 53.179 30.416 44.409 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 53.066 29.933 43.591 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 52.491 30.080 44.983 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 60.375 76.439 28.953 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 60.757 76.091 28.148 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 60.268 75.674 29.519 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 41.046 64.587 -4.195 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 41.428 64.124 -3.450 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 40.429 65.205 -3.802 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 49.915 15.964 5.651 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 49.033 16.217 5.378 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 49.978 15.036 5.426 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 77.696 77.858 43.145 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 76.763 77.674 43.257 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 77.892 77.572 42.253 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 81.531 91.113 16.810 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 81.559 90.903 17.743 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 82.196 91.792 16.696 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 61.800 22.418 -1.044 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 62.509 22.163 -0.454 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 61.098 21.793 -0.860 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 39.466 21.873 2.371 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 39.320 22.529 3.053 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 40.321 22.094 2.004 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 64.472 42.532 -15.569 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 64.214 42.048 -14.785 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 63.650 42.698 -16.030 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 75.633 63.421 28.596 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 75.067 62.784 28.161 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 75.032 63.984 29.084 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 43.343 29.981 -6.229 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 42.875 30.762 -5.933 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 43.081 29.296 -5.615 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 69.794 35.462 36.762 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 69.150 35.556 37.464 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 69.405 35.921 36.017 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 46.193 37.387 63.220 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 46.993 37.668 63.664 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 45.556 37.269 63.925 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 61.042 51.113 60.366 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 60.367 51.769 60.541 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 61.237 50.734 61.223 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 52.103 37.623 -1.331 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 52.043 37.915 -2.240 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 51.714 38.336 -0.823 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 25.546 9.158 61.377 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 25.329 8.718 60.556 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 26.197 8.590 61.790 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 50.734 27.917 57.886 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 50.928 28.673 58.440 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 50.745 28.264 56.994 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 39.236 7.298 -4.872 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 38.343 7.056 -5.116 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 39.162 7.609 -3.970 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 79.779 52.683 47.295 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 80.311 53.459 47.116 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 78.913 52.902 46.950 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 72.893 24.377 12.856 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 73.477 23.871 13.421 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 72.058 23.911 12.894 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 66.036 13.222 63.194 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 66.857 13.554 63.560 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 65.683 13.957 62.692 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 35.675 87.804 49.463 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 34.720 87.773 49.405 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 35.922 88.569 48.943 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 76.144 49.677 34.826 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 75.548 50.157 35.401 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 75.921 48.757 34.963 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 68.443 3.230 1.919 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 68.336 3.256 0.968 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 68.438 4.150 2.186 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 69.566 87.964 -19.607 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 68.688 88.265 -19.842 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 70.058 88.767 -19.436 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 60.833 18.055 -16.351 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 61.415 18.229 -17.091 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 60.772 17.100 -16.314 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 45.984 20.856 36.398 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 45.719 21.739 36.140 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 46.805 20.706 35.930 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 47.856 43.643 30.366 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 47.575 44.074 29.559 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 48.571 43.068 30.095 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 57.065 91.502 -18.898 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 57.566 90.746 -19.207 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 56.245 91.129 -18.575 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 74.206 1.489 43.223 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 75.024 1.881 42.919 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 73.697 2.226 43.561 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 25.371 54.708 55.782 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 24.827 53.931 55.652 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 24.754 55.439 55.760 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 49.338 30.996 -13.288 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 49.603 30.092 -13.120 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 48.673 31.179 -12.624 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 78.952 72.945 5.053 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 79.287 72.954 5.950 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 78.945 72.019 4.810 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 27.687 22.784 61.430 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 27.004 22.245 61.830 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 27.235 23.583 61.159 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 55.405 28.483 7.489 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 54.859 28.278 8.247 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 56.300 28.475 7.828 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 81.196 46.701 7.452 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 81.694 46.091 7.996 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 81.860 47.151 6.929 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 75.864 47.003 31.077 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 75.532 46.938 30.181 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 75.244 47.581 31.522 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 77.740 37.275 13.311 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 76.932 37.164 12.811 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 78.221 37.956 12.841 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 86.334 31.854 59.724 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 85.416 31.660 59.538 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 86.787 31.021 59.592 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 67.837 71.432 26.284 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 67.224 70.867 26.755 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 67.912 71.034 25.417 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 87.012 45.111 23.709 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 86.349 44.467 23.464 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 86.662 45.529 24.496 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 80.824 36.815 43.629 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 80.182 36.463 43.012 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 81.367 36.063 43.865 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 46.530 3.169 44.128 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 46.618 2.695 43.301 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 47.408 3.152 44.509 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 43.124 67.122 -13.268 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 42.992 67.356 -12.349 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 43.756 67.764 -13.592 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 37.086 37.483 8.762 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 37.805 37.823 9.296 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 36.463 37.129 9.396 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 72.826 12.595 1.800 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 72.401 11.754 1.632 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 73.686 12.363 2.150 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 75.432 92.138 35.905 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 75.921 92.742 35.345 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 76.095 91.541 36.251 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 77.612 2.515 -1.110 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 77.231 2.891 -0.317 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 78.231 3.178 -1.416 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 80.700 33.078 26.930 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 80.778 33.741 26.244 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 79.766 32.873 26.959 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 78.505 34.432 -7.137 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 78.903 33.831 -6.507 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 79.194 34.596 -7.781 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 68.933 92.783 35.573 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 69.159 92.677 34.649 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 68.035 93.115 35.565 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 61.860 57.996 37.143 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 60.944 57.950 37.418 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 61.922 58.816 36.653 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 34.195 93.149 -16.737 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 34.547 92.396 -17.212 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 34.964 93.672 -16.512 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 67.746 80.463 51.617 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 67.944 79.988 52.424 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 66.796 80.394 51.525 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 85.334 72.097 25.223 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 85.598 72.795 24.624 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 85.967 71.396 25.068 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 38.804 48.864 -7.086 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 39.455 49.412 -6.649 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 38.107 48.756 -6.439 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 39.341 82.363 -6.444 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 40.009 82.080 -5.820 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 38.626 81.736 -6.331 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 55.775 20.612 1.518 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 56.643 20.638 1.921 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 55.194 20.313 2.218 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 23.626 23.309 13.132 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 24.497 23.371 13.524 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 23.277 24.199 13.179 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 41.261 85.635 40.397 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 41.755 84.946 39.952 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 40.349 85.347 40.346 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 44.663 11.713 62.938 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 44.956 10.859 62.619 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 44.662 12.272 62.161 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 27.057 31.026 -19.871 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 27.021 31.974 -19.996 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 27.356 30.914 -18.969 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 65.960 39.887 4.273 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 65.333 39.164 4.308 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 65.599 40.546 4.867 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 70.761 48.700 18.481 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 69.999 48.478 19.016 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 71.013 47.875 18.068 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 43.896 17.469 55.446 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 44.311 17.740 56.265 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 44.127 18.157 54.821 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 58.043 87.182 48.172 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 58.229 86.969 47.258 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 57.221 86.729 48.361 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 86.693 22.813 65.951 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 86.521 23.567 66.516 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 85.842 22.386 65.855 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 71.122 3.127 61.965 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 71.390 2.267 62.288 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 71.846 3.708 62.198 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 65.518 34.147 49.599 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 65.652 34.031 50.539 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 64.901 33.456 49.356 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 78.876 43.727 -3.709 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 79.813 43.773 -3.520 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 78.486 43.373 -2.909 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 83.629 47.131 60.532 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 82.711 46.865 60.471 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 83.646 47.771 61.244 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 25.729 24.831 36.934 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 25.529 24.338 37.730 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 26.240 25.581 37.238 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 54.720 84.109 57.950 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 55.413 84.470 57.398 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 54.434 84.846 58.489 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 56.966 26.454 -10.561 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 56.682 27.229 -10.076 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 56.167 26.119 -10.967 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 89.190 2.921 -16.889 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 88.680 2.908 -16.079 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 88.559 3.169 -17.565 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 89.007 48.042 24.458 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 89.338 48.054 23.560 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 88.082 48.276 24.376 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 30.779 78.800 20.537 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 30.718 77.925 20.153 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 30.283 78.738 21.354 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 74.340 25.532 9.418 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 75.111 25.081 9.075 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 73.663 25.386 8.757 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 33.731 38.393 0.783 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 33.436 37.484 0.843 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 34.259 38.421 -0.015 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 76.998 84.187 0.146 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 76.953 84.602 1.007 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 76.959 84.915 -0.474 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 72.833 54.475 -14.719 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 72.689 53.531 -14.658 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 73.240 54.710 -13.886 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 39.920 32.979 -12.383 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 40.575 32.952 -11.685 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 40.051 33.830 -12.801 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 42.354 7.514 16.982 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 42.740 7.777 17.818 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 41.463 7.244 17.204 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 66.752 22.346 26.530 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 66.494 22.238 25.615 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 66.303 23.143 26.814 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 37.410 90.001 2.681 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 37.824 89.366 2.097 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 36.473 89.907 2.513 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 37.017 87.530 28.538 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 36.287 87.436 27.925 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 37.664 86.891 28.241 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 67.774 42.871 5.100 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 67.459 43.571 5.672 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 68.003 42.159 5.697 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 54.971 50.805 -13.241 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 55.686 50.932 -12.618 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 54.426 50.124 -12.846 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 52.573 34.869 -17.533 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 52.115 34.033 -17.439 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 53.436 34.633 -17.874 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 41.022 26.157 37.526 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 41.584 26.890 37.274 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 41.437 25.390 37.131 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 42.777 39.662 -6.717 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 42.592 40.577 -6.503 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 43.292 39.342 -5.976 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 22.615 89.409 -13.115 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 23.342 89.992 -13.333 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 22.718 89.235 -12.179 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 61.363 12.627 52.219 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 62.262 12.909 52.052 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 61.091 12.195 51.409 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 64.419 18.996 50.686 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 64.769 18.113 50.798 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 63.471 18.890 50.769 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 54.310 32.476 5.149 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 53.542 32.575 5.713 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 54.324 33.274 4.622 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 37.050 86.965 58.636 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 36.512 86.873 59.423 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 36.698 87.739 58.195 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 27.836 61.037 56.905 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 27.355 61.865 56.929 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 27.394 60.484 57.548 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 72.018 38.529 -14.102 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 72.140 38.362 -13.167 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 72.723 38.040 -14.527 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 60.291 21.937 54.081 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 59.660 21.218 54.042 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 60.306 22.291 53.192 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 79.323 55.292 36.509 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 79.861 55.935 36.971 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 78.740 55.816 35.960 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 71.945 68.756 28.299 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 71.669 67.965 28.763 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 71.237 69.382 28.451 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 41.921 60.576 66.013 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 42.703 60.427 66.544 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 41.861 61.528 65.936 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 22.226 10.913 -7.936 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 21.926 10.890 -8.845 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 23.002 11.473 -7.954 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 82.596 38.416 7.522 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 81.902 38.958 7.146 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 82.404 38.398 8.459 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 35.366 31.137 26.055 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 34.801 31.752 26.523 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 35.861 30.695 26.745 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 88.813 49.260 39.459 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 89.081 49.586 38.600 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 88.933 50.005 40.047 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 35.622 19.917 43.824 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 34.691 20.087 43.970 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 35.684 18.965 43.755 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 66.419 65.547 -3.498 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 67.362 65.484 -3.347 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 66.026 65.380 -2.641 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 59.056 49.581 -15.874 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 59.941 49.652 -16.232 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 59.188 49.364 -14.951 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 38.466 29.827 -15.825 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 37.723 30.202 -15.352 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 38.271 28.892 -15.876 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 31.395 50.042 -6.245 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 32.308 50.016 -6.529 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 31.413 49.713 -5.347 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 55.302 59.496 49.739 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 55.105 58.896 50.458 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 55.739 58.951 49.085 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 68.428 65.188 22.601 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 67.611 65.162 22.103 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 68.237 65.757 23.347 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 68.419 8.143 36.698 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 69.189 8.177 37.267 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 67.766 8.680 37.145 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 66.601 17.631 27.818 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 66.096 18.435 27.941 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 66.771 17.596 26.876 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 30.989 41.079 -8.871 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 30.051 41.206 -9.011 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 31.143 40.160 -9.091 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 75.581 57.100 38.301 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 75.315 57.426 37.441 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 74.921 56.442 38.523 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 33.793 16.877 -7.828 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 33.203 16.168 -8.085 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 34.257 17.107 -8.633 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 85.229 90.537 56.908 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 84.682 90.268 56.170 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 85.252 89.772 57.482 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 59.882 31.970 3.591 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 59.733 32.399 4.434 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 59.147 32.248 3.046 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 72.533 36.553 22.099 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 73.079 37.082 21.518 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 71.927 36.101 21.512 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 39.204 46.338 30.303 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 39.882 46.269 29.632 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 39.430 45.665 30.945 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 46.767 44.480 27.900 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 46.836 43.580 27.581 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 46.191 44.914 27.270 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 54.037 54.230 -6.697 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 54.511 53.429 -6.475 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 53.962 54.703 -5.868 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 69.397 43.945 48.836 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 70.331 44.128 48.734 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 69.246 43.164 48.303 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 47.755 75.367 64.998 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 47.010 75.071 64.475 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 48.072 76.148 64.543 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 50.529 24.556 -0.783 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 51.226 25.129 -0.463 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 50.165 24.157 0.007 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 44.898 55.013 4.806 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 44.266 55.569 5.263 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 45.739 55.221 5.213 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 27.295 22.625 48.012 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 27.366 23.563 47.833 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 26.367 22.486 48.200 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 51.686 50.518 44.228 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 52.343 50.991 43.717 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 51.753 49.612 43.926 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 45.802 55.908 -4.086 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 46.374 56.299 -3.426 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 46.283 56.004 -4.908 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 30.195 88.777 29.658 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 29.424 89.268 29.941 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 30.507 89.245 28.884 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 41.835 1.341 64.200 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 41.156 0.680 64.065 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 41.818 1.871 63.403 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 29.297 28.374 33.820 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 28.528 28.943 33.827 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 29.059 27.657 33.232 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 80.933 40.999 34.954 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 80.384 41.369 34.264 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 81.002 40.070 34.734 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 73.914 76.695 49.213 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 74.849 76.723 49.013 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 73.517 77.305 48.591 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 72.927 63.568 49.964 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 73.346 63.156 49.209 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 72.090 63.888 49.629 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 29.223 15.304 4.735 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 29.037 16.065 4.184 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 28.965 15.577 5.615 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 71.552 61.387 22.221 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 70.652 61.652 22.413 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 71.853 60.960 23.024 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 41.436 50.939 -16.595 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 41.989 50.190 -16.375 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 41.691 51.173 -17.487 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 78.577 0.802 50.124 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 78.328 0.034 50.638 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 78.168 0.662 49.270 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 69.741 17.150 -2.443 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 69.482 17.878 -3.007 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 69.718 17.513 -1.557 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 68.568 44.413 -7.011 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 68.280 45.090 -7.623 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 68.321 44.748 -6.149 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 40.287 28.115 9.893 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 41.115 27.717 9.624 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 39.619 27.630 9.408 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 85.951 68.843 4.438 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 86.441 68.071 4.720 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 86.552 69.309 3.856 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 30.011 29.499 -7.783 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 30.696 29.210 -7.180 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 30.474 29.694 -8.598 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 87.184 10.850 52.601 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 86.583 10.674 53.325 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 87.090 11.788 52.433 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 55.044 57.556 51.543 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 54.872 56.735 52.003 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 55.980 57.529 51.345 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 88.427 53.627 31.247 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 88.468 54.395 31.816 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 89.331 53.489 30.965 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 29.966 34.719 66.329 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 29.877 34.169 65.550 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 29.910 35.615 65.998 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 23.263 25.274 38.759 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 22.937 24.409 38.512 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 22.475 25.777 38.965 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 66.371 85.921 21.128 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 66.644 86.253 21.983 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 65.635 86.480 20.878 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 22.668 39.335 -4.099 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 22.341 38.731 -3.432 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 23.254 39.923 -3.624 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 30.526 20.040 43.056 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 31.043 19.874 42.268 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 29.806 20.595 42.758 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 22.630 43.499 58.157 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 23.169 44.131 58.633 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 21.752 43.610 58.523 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 82.361 28.013 -17.702 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 82.849 27.966 -18.524 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 81.494 28.328 -17.956 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 48.735 59.146 11.864 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 48.715 58.611 12.658 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 49.627 59.491 11.830 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 46.713 30.291 3.304 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 47.650 30.471 3.221 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 46.385 30.984 3.877 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 52.012 85.688 35.004 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 52.965 85.754 34.931 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 51.830 84.752 34.920 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 88.394 10.573 60.804 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 89.105 10.656 60.169 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 88.589 11.234 61.469 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 59.072 43.176 62.160 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 58.916 42.435 61.575 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 59.442 43.854 61.596 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 43.378 33.176 6.451 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 42.437 33.336 6.528 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 43.705 33.232 7.348 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 62.507 92.446 23.275 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 63.145 92.859 23.857 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 62.648 91.506 23.393 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 57.601 63.910 24.452 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 57.419 64.190 23.555 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 56.853 63.362 24.689 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 68.951 60.772 -17.878 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 68.416 60.107 -17.445 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 69.850 60.553 -17.634 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 77.793 41.233 22.530 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 78.159 41.324 23.410 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 76.864 41.437 22.633 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 62.575 56.810 20.464 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 62.186 56.532 19.635 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 62.053 57.566 20.732 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 63.550 85.166 7.550 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 62.776 84.662 7.800 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 63.325 86.072 7.763 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 66.117 76.833 16.886 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 66.419 77.559 17.432 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 65.293 77.143 16.510 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 70.430 40.656 33.197 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 70.849 41.152 32.494 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 69.501 40.875 33.125 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 68.817 60.540 29.706 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 67.927 60.282 29.949 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 68.734 60.876 28.813 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 50.779 58.372 55.202 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 51.611 58.735 54.898 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 50.238 58.318 54.414 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 68.164 92.963 12.682 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 68.273 92.385 13.438 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 68.886 92.731 12.097 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 68.866 18.404 -14.002 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 69.577 17.788 -13.828 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 68.085 17.976 -13.650 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 89.266 55.867 -7.700 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 88.660 55.807 -6.963 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 89.355 54.966 -8.011 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 34.743 61.437 48.439 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 35.146 62.103 47.882 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 35.165 60.618 48.179 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 87.542 67.313 22.307 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 87.038 66.972 23.046 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 87.038 67.057 21.534 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 57.598 66.205 54.061 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 57.210 65.391 53.739 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 57.624 66.099 55.012 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 48.779 14.993 36.091 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 48.887 14.453 35.308 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 48.060 14.580 36.570 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 40.444 36.590 7.924 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 40.985 37.376 7.999 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 40.003 36.519 8.771 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 83.677 32.680 13.427 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 83.448 31.759 13.551 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 84.565 32.660 13.069 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 70.298 55.346 51.999 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 69.500 54.915 51.692 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 70.367 56.135 51.462 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 77.622 42.565 -0.855 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 76.677 42.583 -1.001 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 77.729 42.837 0.056 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 44.227 57.462 61.385 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 44.021 58.245 60.874 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 45.174 57.355 61.291 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 48.920 31.754 52.495 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 48.765 32.279 51.710 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 49.860 31.573 52.481 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 29.590 90.835 24.830 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 28.850 90.555 25.369 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 30.191 90.090 24.842 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 42.185 52.467 -9.374 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 41.468 51.872 -9.154 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 41.809 53.067 -10.018 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 39.682 77.701 -2.607 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 39.289 76.923 -3.002 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 40.019 77.399 -1.764 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 46.308 59.825 14.073 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 46.649 59.412 14.866 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 46.944 60.509 13.866 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 26.895 48.348 23.107 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 27.459 48.990 22.677 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 26.750 47.673 22.444 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 77.823 13.794 -13.186 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 78.233 12.935 -13.085 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 77.003 13.615 -13.646 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 46.565 72.696 53.018 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 46.138 71.953 52.590 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 45.857 73.322 53.172 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 26.705 40.682 18.911 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 26.899 41.599 18.718 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 26.556 40.663 19.857 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 55.990 48.213 24.621 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 55.099 47.892 24.479 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 56.469 47.949 23.836 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 82.614 39.939 50.121 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 82.962 39.496 50.895 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 83.127 39.587 49.393 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 66.860 64.376 10.490 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 66.882 64.342 11.446 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 66.179 63.750 10.243 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 81.506 75.221 24.475 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 80.749 74.789 24.080 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 81.440 75.016 25.407 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 36.695 40.784 41.291 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 35.975 41.373 41.514 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 36.337 40.215 40.609 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 65.790 86.248 16.994 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 65.693 87.199 17.043 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 65.520 86.025 16.103 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 57.120 40.969 -18.595 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 57.786 41.328 -18.008 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 56.471 41.667 -18.677 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 63.197 26.676 28.402 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 62.875 26.392 29.257 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 62.520 27.268 28.075 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 80.834 46.435 3.387 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 81.323 47.257 3.362 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 80.035 46.645 3.871 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 41.347 55.521 29.738 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 41.900 56.156 29.283 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 40.877 56.037 30.393 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 52.850 4.746 54.779 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 52.618 4.190 55.523 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 53.425 5.416 55.150 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 57.442 17.851 50.884 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 58.114 17.798 50.204 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 57.582 18.705 51.293 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 34.449 63.689 -16.117 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 34.463 62.761 -15.883 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 35.349 63.985 -15.978 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 27.163 53.530 31.856 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 28.076 53.790 31.978 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 27.149 52.597 32.072 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 28.096 83.433 14.198 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 28.641 84.184 13.963 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 28.357 83.217 15.093 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 24.889 57.397 51.063 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 25.493 57.121 51.752 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 25.347 58.105 50.611 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 71.367 83.100 15.391 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 71.464 83.224 14.447 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 70.573 83.584 15.616 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 51.736 51.771 18.012 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 52.531 51.253 17.887 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 51.146 51.193 18.496 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 54.243 71.585 9.808 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 53.850 71.598 10.681 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 54.819 70.820 9.815 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 77.051 67.837 36.010 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 76.861 67.595 36.917 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 76.196 67.847 35.581 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 55.540 39.509 63.538 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 56.055 40.205 63.946 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 56.176 39.007 63.028 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 83.591 25.684 62.163 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 84.150 24.907 62.139 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 84.139 26.384 61.808 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 20.412 45.184 6.556 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 19.809 45.843 6.900 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 21.113 45.690 6.145 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 86.868 79.381 -2.137 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 86.677 79.647 -1.237 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 86.854 78.424 -2.113 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 39.311 78.849 53.708 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 38.705 79.337 53.150 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 40.018 78.584 53.120 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 30.913 43.376 1.685 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 30.014 43.062 1.787 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 31.452 42.588 1.756 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 88.136 71.887 29.138 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 88.210 71.092 28.611 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 88.812 72.469 28.790 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 24.974 57.470 9.126 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 24.732 57.898 9.948 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 25.233 58.189 8.549 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 57.823 95.635 58.317 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 57.089 95.893 57.760 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 57.549 94.804 58.705 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 30.716 52.660 61.170 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 30.511 51.767 60.894 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 30.096 52.841 61.876 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 30.606 41.302 26.299 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 31.143 40.754 26.872 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 31.203 41.575 25.602 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 67.233 43.266 -14.235 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 66.987 43.020 -13.343 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 66.486 43.769 -14.559 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 23.134 47.030 7.330 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 22.403 47.642 7.420 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 23.659 47.165 8.119 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 48.886 79.104 16.148 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 49.674 78.988 16.679 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 48.233 79.446 16.759 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 76.439 64.018 -6.533 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 76.668 64.503 -5.740 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 75.503 63.842 -6.445 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 43.295 50.018 -11.224 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 43.581 50.331 -12.083 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 43.653 50.655 -10.605 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 72.326 66.534 52.129 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 72.427 67.268 51.524 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 71.384 66.367 52.150 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 87.643 59.805 58.066 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 88.262 59.681 58.785 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 88.028 60.502 57.534 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 58.620 93.130 39.200 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 57.715 93.431 39.112 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 58.591 92.487 39.909 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 41.245 90.503 35.539 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 40.549 89.981 35.141 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 42.055 90.085 35.247 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 69.140 0.352 21.928 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 69.350 1.128 21.408 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 68.200 0.422 22.094 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 54.829 22.720 54.130 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 53.969 23.112 53.980 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 55.451 23.413 53.908 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 68.122 5.593 -6.584 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 67.180 5.425 -6.594 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 68.218 6.445 -7.010 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 45.467 66.422 60.770 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 46.178 65.786 60.688 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 45.377 66.796 59.894 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 44.182 58.093 -9.193 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 43.888 57.535 -8.473 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 43.893 58.972 -8.949 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 49.997 22.367 -18.387 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 50.205 22.325 -19.320 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 50.833 22.568 -17.964 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 89.575 79.633 -2.762 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 88.680 79.507 -2.446 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 90.002 78.789 -2.614 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 57.276 68.481 -1.301 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 56.574 68.846 -0.762 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 57.059 67.553 -1.382 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 50.459 2.519 15.800 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 51.065 2.898 16.437 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 51.010 1.968 15.244 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 75.436 55.692 43.112 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 74.957 55.064 42.570 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 76.037 56.124 42.504 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 53.725 64.349 23.249 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 54.044 63.871 22.484 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 53.639 63.681 23.930 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 73.883 41.000 34.407 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 74.604 40.597 33.923 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 73.666 41.785 33.904 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 58.467 58.456 27.468 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 57.782 58.016 26.965 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 58.664 57.852 28.184 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 36.010 49.579 22.018 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 36.441 49.267 22.813 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 35.204 49.993 22.329 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 65.595 66.921 40.492 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 64.981 67.634 40.316 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 65.730 66.505 39.640 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 72.488 2.432 32.714 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 72.494 3.385 32.628 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 72.051 2.269 33.550 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 42.490 63.429 66.441 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 43.279 63.225 66.943 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 41.877 63.778 67.087 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 36.272 26.227 59.896 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 37.079 25.789 60.165 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 35.625 25.962 60.550 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 48.307 20.758 22.615 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 48.336 21.390 23.333 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 47.384 20.512 22.549 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 73.883 70.477 -4.096 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 73.099 69.946 -3.956 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 74.471 70.230 -3.382 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 76.429 85.073 61.371 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 75.926 85.210 60.568 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 75.771 85.055 62.066 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 59.953 13.411 56.945 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 59.963 12.694 56.311 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 60.797 13.347 57.393 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 23.267 94.702 -1.996 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 23.577 94.770 -1.093 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 23.637 93.879 -2.316 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 87.561 25.964 16.693 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 87.124 25.153 16.435 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 86.856 26.608 16.756 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 81.783 36.870 12.895 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 80.904 36.580 12.651 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 81.677 37.252 13.766 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 47.975 51.591 19.149 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 48.744 51.130 19.483 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 48.305 52.112 18.418 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 44.887 55.790 -19.426 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 44.835 54.933 -19.002 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 44.618 56.410 -18.748 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 69.861 37.790 26.212 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 70.508 38.454 25.972 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 69.149 37.911 25.584 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 70.650 64.980 20.976 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 69.920 64.746 21.549 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 70.339 64.775 20.094 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 22.071 24.439 62.172 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 21.990 25.070 61.458 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 21.504 24.783 62.862 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 51.101 62.221 14.347 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 50.887 61.399 14.789 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 51.252 62.843 15.059 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 42.237 3.528 27.472 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 41.479 4.075 27.262 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 42.993 4.081 27.278 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 81.361 67.145 -7.479 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 81.157 66.980 -6.559 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 80.749 67.833 -7.740 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 90.299 78.334 59.358 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 90.520 77.510 59.792 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 89.872 78.856 60.037 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 32.254 30.807 40.421 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 31.520 30.488 40.946 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 31.916 31.588 39.984 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 78.888 27.948 -6.297 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 79.244 27.143 -6.673 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 79.620 28.564 -6.315 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 44.840 15.157 -16.447 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 45.564 14.920 -17.027 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 45.214 15.804 -15.848 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 52.743 31.322 56.444 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 52.828 31.795 55.616 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 51.897 30.878 56.380 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 53.608 24.036 43.788 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 53.521 24.983 43.896 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 53.295 23.866 42.900 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 50.169 71.669 66.153 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 50.220 72.536 65.749 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 50.640 71.762 66.981 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 75.937 2.233 9.358 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 76.191 1.927 10.229 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 76.146 3.167 9.361 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 20.878 3.059 4.549 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 20.783 3.691 3.836 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 20.621 3.542 5.334 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 87.101 56.773 3.144 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 87.392 56.170 3.828 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 86.695 57.498 3.619 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 85.675 88.972 46.169 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 84.799 89.329 46.022 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 85.658 88.114 45.746 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 24.720 65.874 24.038 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 24.595 65.033 23.599 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 25.653 65.898 24.250 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 29.750 52.154 10.377 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 29.035 52.551 9.880 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 30.169 51.556 9.759 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 51.551 43.488 59.260 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 52.468 43.739 59.366 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 51.170 43.595 60.132 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 63.350 44.712 -19.569 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 64.047 44.517 -18.944 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 62.548 44.422 -19.133 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 33.431 93.857 30.268 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 34.130 94.453 29.996 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 32.874 93.772 29.494 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 83.458 64.844 6.666 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 82.922 64.106 6.374 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 84.218 64.438 7.083 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 32.801 88.006 50.201 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 32.045 87.675 49.716 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 32.930 87.372 50.906 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 35.217 71.365 63.199 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 34.952 70.446 63.207 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 35.017 71.665 62.312 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 57.506 39.899 -5.356 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 57.932 40.006 -6.207 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 57.289 40.791 -5.083 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 68.703 21.808 64.435 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 68.827 20.863 64.522 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 68.076 21.902 63.718 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 39.902 17.101 5.239 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 39.461 16.276 5.037 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 39.657 17.686 4.522 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 73.276 42.425 12.431 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 72.369 42.117 12.438 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 73.207 43.367 12.275 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 28.696 84.637 -2.378 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 28.590 85.405 -1.817 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 28.385 83.906 -1.844 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 26.438 95.139 29.376 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 27.137 95.190 30.028 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 25.751 95.713 29.715 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 88.987 20.779 -12.179 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 89.223 21.537 -11.645 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 88.125 20.996 -12.535 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 34.603 64.525 18.998 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 35.400 64.203 19.422 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 34.225 63.751 18.580 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 28.618 87.643 65.010 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 28.769 88.454 64.524 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 29.491 87.359 65.280 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 43.061 93.232 31.288 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 43.453 93.944 31.794 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 42.117 93.378 31.360 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 76.660 64.304 1.471 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 77.135 63.645 0.963 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 75.737 64.126 1.292 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 73.054 92.150 2.374 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 72.872 92.408 3.278 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 72.710 91.260 2.304 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 71.954 76.405 14.627 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 71.450 75.874 14.012 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 72.858 76.337 14.319 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 56.459 72.938 6.916 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 56.698 72.110 7.332 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 55.868 73.360 7.541 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 63.986 50.477 27.290 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 63.294 50.980 27.718 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 63.978 50.781 26.382 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 71.379 58.076 65.940 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 70.919 58.182 66.773 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 71.293 58.926 65.509 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 84.241 59.706 26.017 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 84.314 59.680 25.063 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 83.923 58.836 26.257 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 33.371 92.766 52.391 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 32.985 93.193 51.626 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 33.782 93.478 52.882 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 51.144 39.136 55.767 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 51.340 39.762 56.464 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 50.360 39.487 55.343 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 82.713 93.816 33.759 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 82.512 94.583 33.223 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 82.657 93.078 33.152 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 69.846 82.991 60.150 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 70.354 82.975 60.961 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 68.957 83.210 60.429 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 59.441 39.834 52.594 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 58.622 40.092 53.016 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 59.246 39.856 51.657 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 53.523 61.543 19.889 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 53.307 61.375 18.972 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 53.266 60.743 20.347 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 59.831 79.315 27.046 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 59.928 80.016 26.401 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 60.704 78.927 27.112 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 58.887 13.681 53.815 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 59.384 13.971 53.051 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 58.802 12.734 53.701 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 72.466 38.463 -6.896 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 71.905 38.873 -7.554 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 72.556 37.556 -7.190 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 57.744 20.985 65.408 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 57.589 21.699 66.026 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 58.653 20.727 65.562 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 45.779 2.058 8.075 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 46.256 1.977 8.901 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 46.353 1.651 7.426 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 32.439 89.604 17.479 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 33.210 89.057 17.630 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 31.754 88.987 17.221 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 40.143 5.098 26.967 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 39.336 4.775 26.567 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 40.158 6.032 26.756 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 25.715 21.858 3.017 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 25.676 22.612 3.606 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 25.116 22.079 2.304 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 52.627 87.803 42.978 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 51.776 87.420 42.762 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 52.984 88.084 42.135 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 37.535 52.800 57.041 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 37.427 52.355 56.200 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 36.757 53.352 57.121 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 27.963 3.412 -4.886 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 28.742 2.873 -4.744 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 27.603 3.549 -4.010 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 27.410 21.780 43.711 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 27.662 20.964 43.278 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 28.148 21.984 44.285 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 85.182 23.508 62.037 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 86.008 23.377 62.502 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 85.427 23.536 61.113 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 85.665 39.041 -12.080 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 86.560 38.982 -11.745 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 85.167 39.437 -11.365 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 55.048 93.511 39.138 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 55.018 93.507 38.181 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 54.198 93.863 39.403 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 70.729 67.805 31.912 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 70.530 67.094 31.302 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 69.873 68.102 32.221 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 38.403 9.233 34.548 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 37.841 9.986 34.732 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 38.077 8.888 33.717 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 86.416 87.796 34.509 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 86.876 88.173 33.759 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 85.492 87.983 34.343 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 74.322 65.575 26.555 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 74.705 65.736 27.418 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 73.594 66.194 26.497 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 77.546 19.393 -14.943 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 78.284 19.025 -15.428 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 77.869 19.485 -14.047 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 83.254 73.894 22.905 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 82.487 74.304 23.306 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 83.158 72.963 23.101 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 57.442 77.050 -11.691 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 57.120 77.939 -11.541 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 58.385 77.156 -11.818 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 26.329 12.972 -18.307 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 26.238 12.037 -18.489 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 25.980 13.080 -17.422 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 87.774 2.194 50.927 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 87.375 2.743 51.602 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 87.447 1.313 51.109 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 49.994 7.175 10.511 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 49.606 6.605 9.847 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 49.314 7.821 10.700 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 37.537 52.000 -17.351 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 37.800 52.918 -17.288 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 37.996 51.671 -18.124 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 55.187 6.374 -15.751 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 55.901 6.938 -15.454 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 54.851 6.807 -16.536 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 65.043 83.475 -7.085 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 64.743 83.783 -7.940 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 64.471 83.915 -6.457 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 28.713 40.801 46.479 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 28.772 41.294 45.661 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 29.371 41.200 47.048 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 84.947 20.157 59.808 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 84.439 19.591 60.390 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 85.777 20.288 60.267 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 28.153 11.349 -15.894 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 27.857 11.199 -16.791 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 27.359 11.285 -15.364 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 28.357 21.196 50.100 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 29.259 21.514 50.056 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 27.983 21.415 49.247 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 20.213 34.349 7.677 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 20.528 33.837 8.422 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 21.000 34.539 7.167 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 29.627 24.795 -5.762 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 29.004 25.471 -5.494 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 30.332 25.277 -6.195 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 52.478 7.237 12.076 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 52.437 7.960 12.701 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 51.912 7.512 11.354 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 66.393 7.913 -1.172 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 67.333 7.773 -1.281 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 66.315 8.388 -0.345 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 82.863 14.899 1.351 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 82.295 15.642 1.554 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 82.559 14.199 1.930 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 75.319 90.513 59.153 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 75.093 89.609 59.369 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 74.521 91.010 59.333 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 79.129 92.527 -0.687 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 78.871 91.900 -1.364 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 79.449 93.287 -1.174 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 33.406 68.839 -10.049 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 33.414 68.004 -10.517 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 34.175 68.803 -9.481 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 21.774 51.739 -12.067 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 22.524 51.910 -11.496 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 21.611 50.801 -11.974 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 22.018 41.497 -5.560 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 22.240 40.694 -5.090 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 21.971 42.169 -4.879 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 85.606 31.603 -8.470 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 85.995 31.446 -7.610 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 85.832 30.825 -8.981 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 23.992 25.809 56.722 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 24.438 25.109 57.200 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 23.588 25.369 55.974 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 51.944 7.081 53.184 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 51.519 7.374 53.991 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 52.495 6.347 53.457 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 30.908 49.172 -3.810 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 31.259 48.531 -3.192 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 30.063 49.425 -3.440 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 66.631 43.568 61.703 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 67.083 43.391 60.878 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 65.864 42.996 61.685 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 36.995 49.019 19.661 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 36.887 48.950 20.609 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 37.931 48.881 19.516 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 67.492 21.058 16.852 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 66.916 21.207 16.102 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 67.093 21.559 17.564 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 22.811 71.478 -13.631 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 21.859 71.433 -13.711 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 22.967 71.616 -12.697 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 68.269 84.313 25.216 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 67.623 84.608 25.858 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 67.813 83.643 24.707 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 68.138 55.602 22.497 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 67.342 55.119 22.271 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 67.837 56.304 23.074 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 52.760 79.888 5.389 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 53.224 79.217 5.889 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 53.187 79.888 4.532 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 83.845 17.181 -2.986 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 84.229 16.853 -2.173 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 82.936 17.377 -2.761 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 81.856 30.540 33.449 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 81.395 31.293 33.079 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 81.845 29.885 32.752 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 23.840 4.149 45.099 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 24.535 4.779 45.291 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 23.946 3.466 45.761 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 34.390 25.686 22.997 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 33.821 26.451 22.922 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 35.099 25.969 23.575 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 28.538 68.841 31.061 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 28.740 68.325 31.842 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 28.800 69.733 31.289 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 85.566 12.174 42.089 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 86.311 11.572 42.086 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 85.850 12.903 42.641 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 37.317 89.324 55.662 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 37.583 90.188 55.346 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 38.141 88.863 55.818 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 53.724 7.888 45.854 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 53.394 8.713 46.210 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 54.149 7.459 46.597 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 27.971 28.162 25.827 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 27.278 28.484 25.252 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 28.631 27.806 25.232 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 64.589 4.983 37.811 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 64.575 5.398 38.674 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 65.495 4.696 37.698 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 60.547 3.863 57.840 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 59.806 3.482 57.368 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 60.824 3.175 58.446 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 72.401 85.626 39.362 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 72.335 85.051 40.125 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 73.188 86.147 39.522 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 39.809 66.382 -17.572 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 38.975 66.509 -18.023 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 40.055 65.479 -17.774 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 46.619 93.892 62.971 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 46.589 93.871 63.928 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 45.895 93.330 62.696 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 54.498 39.231 0.352 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 54.414 38.942 -0.557 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 53.656 39.015 0.751 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 32.070 93.484 12.804 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 32.979 93.355 13.073 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 32.129 93.817 11.909 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 54.339 6.724 55.961 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 54.526 7.135 55.116 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 55.201 6.549 56.338 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 89.865 53.321 -8.957 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 89.929 52.694 -8.237 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 89.521 52.811 -9.691 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 34.359 2.256 -17.651 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 33.855 1.562 -17.226 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 35.269 2.070 -17.416 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 67.587 73.000 5.054 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 67.343 73.902 4.849 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 67.239 72.851 5.933 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 75.727 48.691 22.808 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 75.305 49.368 23.336 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 75.494 47.869 23.241 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 52.949 95.593 21.427 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 52.206 96.193 21.500 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 52.812 94.955 22.128 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 65.608 38.975 37.560 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 65.622 38.862 36.609 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 66.156 39.744 37.718 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 34.858 18.748 -18.910 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 34.794 18.400 -18.021 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 34.199 18.263 -19.406 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 35.167 64.411 22.727 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 35.816 64.427 22.024 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 35.351 63.603 23.206 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 77.146 52.020 -2.426 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 76.475 52.005 -1.744 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 77.184 52.934 -2.706 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 24.674 19.385 12.046 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 24.286 18.741 11.453 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 24.322 20.225 11.752 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 89.284 59.662 35.092 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 89.235 58.712 34.988 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 90.040 59.802 35.662 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 52.681 40.559 -4.184 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 52.835 41.419 -3.794 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 52.861 40.682 -5.116 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 29.012 6.859 -16.249 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 29.478 6.056 -16.016 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 28.610 7.149 -15.430 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 34.662 84.243 50.802 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 34.598 84.263 49.847 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 33.955 84.816 51.102 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 80.505 89.876 6.606 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 80.201 89.477 7.421 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 80.866 90.722 6.872 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 77.851 67.596 64.375 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 77.630 66.786 64.834 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 77.505 68.291 64.936 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 70.655 34.211 12.151 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 70.107 33.438 12.285 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 70.236 34.895 12.674 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 90.283 57.349 -14.824 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 90.487 56.418 -14.904 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 89.586 57.498 -15.464 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 78.801 60.845 57.831 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 78.360 61.459 58.419 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 78.498 61.090 56.957 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 58.844 14.833 5.753 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 58.018 14.353 5.706 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 59.061 14.847 6.685 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 62.311 11.191 64.619 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 62.755 12.039 64.598 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 62.173 11.017 65.550 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 58.264 25.339 66.064 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 58.300 25.867 66.861 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 58.011 24.466 66.365 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 64.821 80.637 17.134 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 63.935 80.275 17.144 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 65.352 79.982 17.587 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 81.064 25.529 -16.516 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 80.312 24.950 -16.639 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 80.949 26.215 -17.174 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 89.562 83.750 3.884 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 88.692 84.045 3.616 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 89.771 83.037 3.280 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 61.975 7.325 27.487 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 62.672 7.960 27.319 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 61.196 7.859 27.641 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 70.510 30.796 66.298 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 70.011 31.612 66.254 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 71.284 30.959 65.760 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 62.043 1.715 0.520 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 62.990 1.619 0.424 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 61.772 0.944 1.020 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 74.592 90.129 32.884 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 74.219 89.508 33.510 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 73.889 90.287 32.255 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 29.750 94.921 -14.994 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 29.757 94.811 -14.044 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 29.974 94.055 -15.337 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 30.114 1.974 -4.494 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 30.760 2.592 -4.836 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 30.544 1.121 -4.552 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 75.500 31.935 38.841 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 76.296 31.412 38.936 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 75.687 32.746 39.314 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 85.175 10.737 39.849 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 84.989 11.323 39.115 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 85.148 11.303 40.621 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 53.547 88.997 18.099 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 53.229 88.233 17.617 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 52.887 89.145 18.776 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 75.115 18.087 -3.755 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 74.814 17.956 -2.857 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 76.067 18.002 -3.704 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 24.369 31.203 46.525 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 24.354 31.497 45.614 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 24.908 30.412 46.513 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 76.478 48.500 26.409 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 75.609 48.843 26.200 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 76.662 48.832 27.288 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 66.449 78.258 54.251 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 66.329 77.883 55.123 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 65.645 78.752 54.090 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 87.321 29.522 59.048 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 87.747 29.097 59.793 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 86.772 28.838 58.664 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 78.885 36.899 20.117 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 78.086 36.645 19.656 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 78.668 37.736 20.530 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 76.799 64.791 -9.259 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 75.916 64.840 -9.625 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 76.664 64.598 -8.331 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 80.073 10.979 66.353 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 79.297 10.423 66.413 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 80.726 10.433 65.914 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 30.144 37.647 -6.766 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 31.035 37.776 -6.440 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 30.117 36.727 -7.031 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 71.891 44.971 -14.991 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 72.489 45.690 -14.787 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 71.468 44.766 -14.156 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 33.025 29.191 64.841 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 33.210 29.714 64.061 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 33.414 28.336 64.654 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 35.190 43.564 13.712 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 36.040 43.865 13.392 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 35.211 43.741 14.652 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 88.107 37.078 24.652 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 88.189 36.894 25.588 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 88.196 38.029 24.585 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 49.823 47.320 -16.445 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 50.748 47.477 -16.258 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 49.450 47.050 -15.606 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 66.274 16.963 42.627 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 65.937 17.572 41.970 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 66.036 16.097 42.297 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 24.555 68.232 -17.636 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 23.998 68.738 -17.044 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 25.403 68.195 -17.195 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 53.480 29.937 14.232 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 52.844 29.473 14.777 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 53.810 29.271 13.628 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 80.516 6.485 -17.892 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 81.341 6.009 -17.979 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 79.932 5.874 -17.443 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 87.949 26.978 -5.080 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 87.840 27.363 -4.210 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 87.111 27.129 -5.516 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 75.924 29.682 34.321 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 75.207 29.936 33.740 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 75.627 29.937 35.194 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 67.349 36.517 16.958 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 68.019 36.965 17.475 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 66.853 37.224 16.545 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 80.061 45.007 1.177 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 79.331 45.455 0.750 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 80.128 45.423 2.037 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 75.989 14.482 -16.430 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 75.165 14.010 -16.547 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 76.660 13.799 -16.443 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 85.534 85.581 2.837 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 85.772 84.669 2.673 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 85.732 85.719 3.763 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 62.372 21.315 33.262 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 63.272 21.629 33.174 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 62.435 20.368 33.142 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 56.043 58.644 65.276 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 56.065 57.727 65.550 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 55.115 58.876 65.288 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 75.768 28.570 -3.140 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 76.684 28.761 -3.341 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 75.783 28.239 -2.243 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 25.460 46.230 65.676 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 26.398 46.206 65.864 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 25.138 45.370 65.947 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 57.961 44.557 48.789 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 57.835 44.422 47.850 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 58.585 43.878 49.047 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 59.177 89.937 19.945 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 59.377 89.599 19.072 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 60.026 90.196 20.303 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 34.580 55.798 -19.873 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 34.886 56.376 -19.174 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 35.024 54.966 -19.709 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 54.561 6.024 38.417 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 54.090 6.584 37.800 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 55.325 6.539 38.675 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 54.770 15.157 46.559 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 54.549 14.227 46.518 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 55.553 15.242 46.016 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 40.554 57.364 9.450 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 41.327 57.253 10.004 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 40.901 57.670 8.612 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 32.991 40.280 -13.083 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 33.947 40.262 -13.050 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 32.742 40.956 -12.452 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 55.566 22.188 63.955 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 56.114 21.538 64.395 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 55.114 22.642 64.666 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 50.918 2.769 39.831 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 51.347 3.625 39.832 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 51.393 2.265 39.170 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 32.349 19.959 41.015 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 33.271 19.920 40.760 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 32.111 20.880 40.913 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 77.739 83.844 42.390 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 77.667 82.890 42.435 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 77.883 84.117 43.296 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 81.760 42.944 7.180 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 82.337 43.486 7.718 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 80.954 42.869 7.692 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 80.222 76.217 -11.335 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 80.151 76.897 -10.665 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 81.157 76.170 -11.532 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 63.548 11.609 15.413 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 63.940 11.185 16.176 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 62.618 11.388 15.467 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 75.086 30.848 53.264 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 75.794 31.058 52.654 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 74.725 30.024 52.937 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 71.715 53.652 9.984 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 71.026 52.996 9.876 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 71.252 54.442 10.262 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 39.529 32.069 -6.867 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 38.744 31.890 -7.385 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 39.225 32.634 -6.157 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 47.716 22.066 -4.084 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 47.963 21.172 -3.848 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 47.392 22.449 -3.269 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 44.529 12.241 45.447 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 44.813 11.787 44.654 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 44.713 13.164 45.274 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 76.066 49.480 -0.619 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 75.447 50.015 -0.122 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 76.832 49.409 -0.050 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 48.183 27.105 55.192 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 48.686 27.789 55.633 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 47.342 27.516 54.991 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 86.057 68.605 -14.736 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 85.547 68.336 -15.500 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 85.492 68.406 -13.989 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 61.346 45.555 64.829 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 62.101 46.102 65.046 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 60.807 46.104 64.259 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 52.036 19.563 23.360 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 51.099 19.639 23.541 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 52.263 20.383 22.922 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 82.254 10.677 2.640 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 81.745 9.912 2.908 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 82.727 10.389 1.859 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 25.795 95.116 38.610 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 25.921 94.716 37.749 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 25.483 96.000 38.421 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 89.838 35.110 23.190 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 89.114 35.714 23.356 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 90.595 35.677 23.046 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 41.184 67.977 8.683 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 41.043 68.741 9.243 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 41.849 67.463 9.142 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 90.182 10.333 44.676 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 90.146 10.063 43.759 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 89.334 10.747 44.838 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 64.436 33.889 12.034 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 64.201 34.344 12.842 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 63.725 33.264 11.894 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 53.530 51.997 55.764 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 53.682 52.222 54.846 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 53.763 52.790 56.247 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 53.377 59.014 65.444 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 52.673 59.089 64.800 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 53.011 58.466 66.138 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 88.812 36.983 60.094 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 88.894 37.073 59.145 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 89.582 36.479 60.356 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 35.383 52.631 5.284 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 35.420 53.086 6.126 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 36.097 53.013 4.774 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 72.932 95.107 14.871 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 73.505 94.379 14.631 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 73.169 95.808 14.263 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 65.677 22.262 18.341 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 64.762 22.148 18.083 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 65.682 22.099 19.285 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 50.846 59.452 8.846 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 50.577 60.275 9.255 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 51.770 59.581 8.631 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 23.889 52.013 35.688 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 23.494 52.677 35.122 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 23.928 51.227 35.144 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 68.465 18.771 29.478 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 68.519 19.434 28.791 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 68.369 17.944 29.006 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 79.929 69.741 41.533 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 80.171 69.394 40.674 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 80.613 70.379 41.736 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 76.545 28.430 44.069 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 75.989 27.688 44.308 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 75.987 28.981 43.519 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 75.690 53.593 19.761 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 75.848 54.105 18.968 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 76.146 54.073 20.452 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 74.430 37.986 39.505 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 75.035 38.524 40.015 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 74.943 37.695 38.752 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 39.856 90.731 -18.564 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 40.579 90.137 -18.765 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 39.274 90.666 -19.321 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 59.653 14.764 8.507 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 59.786 14.323 9.346 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 60.515 14.756 8.092 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 82.994 63.193 33.494 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 83.575 62.525 33.131 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 82.697 63.692 32.733 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 53.632 72.791 3.385 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 53.914 72.010 3.862 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 53.222 73.343 4.051 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 30.154 3.189 32.230 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 29.867 2.284 32.111 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 29.895 3.631 31.421 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 75.257 33.565 60.717 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 74.402 33.347 61.088 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 75.584 32.736 60.367 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 20.803 47.321 16.140 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 20.860 47.261 17.093 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 20.744 48.259 15.961 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 31.433 1.329 61.603 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 30.872 1.750 62.254 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 31.352 0.393 61.785 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 37.017 25.760 21.420 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 36.711 25.190 20.714 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 36.264 26.314 21.625 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 62.602 46.622 16.040 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 62.554 47.516 16.381 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 61.695 46.395 15.833 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 20.520 81.897 2.140 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 20.135 81.194 1.618 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 21.195 82.274 1.575 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 23.669 48.620 14.438 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 23.086 48.726 15.189 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 24.512 48.374 14.821 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 49.932 17.442 64.790 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 49.711 17.129 63.913 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 50.680 16.906 65.055 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 56.173 29.119 64.312 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 55.974 29.693 65.052 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 57.121 28.994 64.354 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 56.687 7.124 45.347 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 57.074 7.988 45.209 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 55.760 7.299 45.510 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 29.104 84.621 42.487 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 29.013 83.922 41.840 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 28.852 85.417 42.018 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 34.614 77.750 41.124 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 33.908 77.115 41.003 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 35.413 77.261 40.929 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 75.484 39.671 26.289 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 74.859 40.092 26.881 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 75.006 39.574 25.466 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 77.874 54.714 2.823 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 77.283 53.980 2.996 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 77.674 55.349 3.511 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 53.252 16.364 3.215 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 52.701 16.837 3.838 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 54.143 16.480 3.546 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 38.367 54.943 14.531 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 38.618 55.752 14.085 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 39.080 54.780 15.150 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 78.155 47.921 24.100 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 77.649 48.331 23.399 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 77.852 47.014 24.116 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 50.230 75.629 -2.795 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 50.428 75.625 -1.859 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 49.278 75.723 -2.840 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 45.686 4.692 -12.759 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 44.775 4.889 -12.979 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 46.175 5.461 -13.052 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 56.672 19.975 59.821 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 55.804 20.091 59.433 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 56.677 20.565 60.575 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 60.327 45.071 15.947 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 59.651 45.488 16.482 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 59.900 44.295 15.583 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 22.855 22.095 -18.092 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 23.583 22.445 -18.606 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 22.114 22.661 -18.310 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 36.413 36.684 53.592 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 35.761 35.994 53.715 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 36.338 36.924 52.669 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 72.081 48.308 32.322 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 72.003 48.659 31.435 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 71.455 48.815 32.837 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 41.656 39.931 20.358 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 41.916 39.842 21.275 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 42.124 39.229 19.906 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 40.274 50.488 55.130 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 40.964 50.897 54.608 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 39.473 50.938 54.863 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 79.167 38.466 24.825 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 79.545 38.300 23.962 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 78.221 38.420 24.686 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 54.403 50.871 25.469 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 54.233 50.608 24.565 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 55.346 51.030 25.500 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 86.555 50.155 23.651 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 85.703 50.457 23.336 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 87.043 49.944 22.856 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 72.042 90.313 56.300 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 71.852 89.874 57.129 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 72.223 89.601 55.687 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 57.304 22.776 49.817 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 56.873 23.613 49.991 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 56.608 22.125 49.908 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 25.431 68.181 28.376 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 25.529 67.568 29.105 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 24.847 67.734 27.764 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 63.063 34.233 7.077 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 62.897 35.167 6.948 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 62.691 34.040 7.938 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 61.677 86.898 -8.444 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 62.272 87.620 -8.241 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 61.294 86.659 -7.600 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 80.261 74.712 -16.833 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 81.054 74.211 -16.643 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 80.532 75.627 -16.755 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 33.158 79.149 -1.047 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 33.626 78.545 -0.471 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 33.443 80.018 -0.766 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 55.201 9.440 32.371 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 54.892 9.890 31.585 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 56.103 9.193 32.166 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 77.144 73.868 9.749 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 76.503 73.757 10.451 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 76.680 73.601 8.956 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 71.975 75.682 39.557 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 71.710 75.150 40.308 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 71.387 75.411 38.852 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 42.339 62.527 -14.768 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 43.048 62.957 -14.290 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 41.859 62.041 -14.098 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 46.531 29.915 -12.522 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 45.680 30.353 -12.564 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 46.539 29.488 -11.665 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 56.378 15.667 42.444 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 55.601 16.035 42.864 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 56.686 16.361 41.860 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 21.799 34.860 -15.787 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 22.568 34.958 -16.349 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 22.077 34.251 -15.103 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 68.453 56.724 15.818 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 68.569 57.197 16.642 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 67.725 57.170 15.385 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 86.375 56.287 18.420 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 86.289 56.899 17.688 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 85.548 56.364 18.895 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 38.957 41.281 6.798 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 38.483 40.479 7.018 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 39.686 40.986 6.252 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 31.216 48.573 12.113 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 31.448 49.348 12.624 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 32.048 48.121 11.972 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 37.296 35.310 21.384 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 37.162 36.195 21.722 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 37.480 35.434 20.453 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 21.200 64.654 52.197 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 20.309 64.875 52.469 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 21.265 64.981 51.300 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 85.749 51.484 -4.504 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 86.646 51.533 -4.835 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 85.473 50.587 -4.691 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 67.252 83.947 41.167 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 66.522 84.379 41.610 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 67.267 83.063 41.534 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 80.555 46.255 61.235 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 79.856 46.016 61.844 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 80.812 47.139 61.498 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 87.490 25.917 43.261 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 87.675 26.213 44.152 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 88.100 25.194 43.117 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 40.023 68.340 38.287 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 39.974 69.295 38.233 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 40.561 68.085 37.537 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 31.026 21.701 49.707 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 31.548 21.015 49.291 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 31.543 21.969 50.467 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 34.156 28.288 35.229 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 34.124 27.397 35.576 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 35.066 28.561 35.350 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 87.844 44.005 41.604 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 88.482 43.951 40.893 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 88.115 44.770 42.112 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 84.866 26.526 55.227 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 84.810 27.061 54.435 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 83.955 26.368 55.474 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 46.653 67.853 -13.454 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 46.366 67.288 -14.171 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 46.081 67.620 -12.722 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 41.789 88.007 44.560 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 40.934 88.022 44.991 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 41.952 88.918 44.318 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 25.400 73.885 -18.473 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 25.903 74.316 -19.164 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 25.969 73.177 -18.169 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 77.233 66.652 40.606 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 77.251 65.898 41.196 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 77.182 67.410 41.188 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 61.840 23.240 35.621 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 61.976 22.369 35.250 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 62.034 23.840 34.901 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 27.852 52.982 15.175 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 28.041 53.269 16.068 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 28.707 52.750 14.812 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 36.624 6.378 -0.473 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 36.482 6.528 0.462 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 36.948 5.479 -0.526 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 83.058 8.903 39.313 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 82.802 9.424 38.552 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 83.857 9.322 39.633 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 78.570 5.344 36.504 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 78.123 4.887 35.791 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 77.864 5.658 37.069 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 26.242 40.134 -18.317 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 26.302 39.927 -17.385 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 25.779 39.389 -18.699 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 84.771 60.181 17.338 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 83.814 60.149 17.321 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 84.978 61.113 17.396 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 77.311 50.966 63.111 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 77.699 51.515 62.430 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 76.789 51.570 63.638 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 35.739 44.815 46.443 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 36.392 45.028 47.109 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 35.043 45.459 46.575 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 47.670 62.959 48.349 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 47.771 62.530 47.499 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 47.566 63.887 48.139 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 61.885 41.055 59.409 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 62.021 40.159 59.101 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 62.463 41.587 58.861 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 38.515 60.746 2.220 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 38.404 59.900 2.654 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 38.233 60.593 1.319 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 73.730 85.192 21.858 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 73.724 84.247 21.703 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 73.040 85.532 21.287 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 43.411 39.054 -14.421 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 42.882 39.713 -13.973 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 44.313 39.359 -14.318 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 34.630 25.737 16.787 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 33.754 26.086 16.949 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 34.528 25.182 16.014 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 85.926 33.362 25.271 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 85.949 34.151 24.730 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 85.245 32.818 24.874 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 73.890 20.356 0.710 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 73.320 21.037 1.068 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 74.776 20.642 0.933 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 40.861 45.486 56.519 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 39.944 45.253 56.369 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 41.225 44.735 56.988 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 39.850 56.937 59.669 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 39.917 56.012 59.432 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 40.596 57.089 60.250 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 29.142 44.897 59.891 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 29.340 45.753 60.271 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 29.642 44.278 60.423 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 44.114 83.558 31.448 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 44.977 83.146 31.475 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 44.247 84.362 30.946 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 57.070 41.687 23.874 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 57.084 41.760 22.919 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 56.149 41.544 24.091 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 28.794 10.093 -19.638 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 29.626 10.363 -19.250 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 28.515 9.345 -19.110 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 63.206 10.398 -0.023 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 63.482 11.258 -0.340 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 63.958 10.071 0.470 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 75.945 94.790 50.220 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 75.378 94.424 49.540 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 75.340 95.130 50.879 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 69.162 29.153 34.458 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 69.058 28.791 33.578 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 69.497 28.423 34.980 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 79.237 70.032 -16.334 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 79.952 70.540 -15.949 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 78.687 69.789 -15.589 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 66.142 33.447 -15.510 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 66.461 32.559 -15.673 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 65.259 33.457 -15.881 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 86.149 92.914 62.481 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 85.365 93.144 62.979 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 86.352 93.702 61.977 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 34.253 44.768 -12.398 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 34.659 45.628 -12.508 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 33.803 44.607 -13.227 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 69.416 2.983 56.073 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 70.082 3.041 55.387 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 69.912 3.017 56.891 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 62.561 23.988 -19.316 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 62.625 24.198 -20.247 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 61.644 23.747 -19.186 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 31.209 71.073 2.150 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 31.624 71.486 2.908 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 30.271 71.203 2.290 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 32.106 50.126 -16.888 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 32.985 49.842 -17.138 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 31.900 49.611 -16.108 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 28.117 64.426 9.302 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 27.172 64.568 9.264 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 28.410 64.953 10.045 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 65.192 60.488 42.759 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 65.309 60.714 41.836 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 65.251 59.532 42.780 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 89.927 77.310 39.857 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 90.658 76.783 39.535 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 90.059 78.171 39.460 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 24.884 35.338 27.423 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 25.249 36.120 27.836 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 25.410 35.216 26.633 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 54.455 42.499 22.602 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 54.042 42.735 21.771 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 54.732 43.334 22.979 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 51.905 82.557 27.970 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 51.007 82.885 28.020 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 52.249 82.664 28.857 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 84.053 55.593 16.265 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 84.463 56.431 16.476 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 83.634 55.318 17.081 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 64.862 92.150 17.091 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 65.567 92.618 16.644 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 64.368 92.834 17.543 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 64.640 30.393 20.591 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 64.271 29.537 20.809 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 64.038 30.755 19.942 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 89.690 75.579 26.118 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 89.201 75.080 25.464 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 90.301 76.110 25.607 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 27.031 71.316 48.399 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 27.605 70.981 47.709 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 27.263 70.804 49.174 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 70.027 1.812 -7.787 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 70.603 1.060 -7.928 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 69.212 1.576 -8.230 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 70.990 59.268 -11.643 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 71.404 59.391 -12.497 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 70.180 59.775 -11.693 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 81.434 70.837 12.314 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 82.299 70.510 12.067 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 81.217 70.361 13.115 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 35.259 52.310 -7.475 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 35.458 52.526 -6.564 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 34.508 52.862 -7.695 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 72.490 31.206 23.814 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 73.127 31.703 23.300 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 72.020 30.679 23.168 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 27.528 76.367 -4.276 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 28.081 77.077 -4.601 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 27.795 75.602 -4.787 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 87.843 49.457 18.238 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 88.659 48.961 18.298 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 87.431 49.147 17.431 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 64.549 71.221 37.597 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 63.706 71.272 37.145 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 65.199 71.237 36.895 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 33.385 66.248 -7.356 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 32.498 66.570 -7.196 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 33.490 66.295 -8.306 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 54.031 67.781 54.281 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 53.869 67.084 53.645 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 53.158 68.089 54.527 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 89.339 74.682 12.888 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 88.592 75.279 12.865 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 88.962 73.819 12.719 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 20.879 63.242 29.692 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 21.322 64.085 29.792 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 20.173 63.265 30.338 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 59.627 76.587 64.292 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 59.795 76.016 65.041 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 59.567 75.991 63.545 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 72.067 32.603 -17.266 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 71.508 32.327 -16.540 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 72.176 31.814 -17.797 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 22.402 35.539 4.074 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 23.294 35.885 4.042 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 22.295 35.234 4.975 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 79.036 57.278 12.202 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 78.841 57.465 13.120 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 78.877 56.338 12.110 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 71.763 38.290 24.080 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 72.047 37.761 23.334 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 71.345 39.055 23.686 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 35.053 26.888 25.719 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 34.672 27.374 26.451 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 35.760 27.450 25.401 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 73.681 1.687 -3.523 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 73.455 2.436 -4.074 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 72.889 1.517 -3.013 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 64.235 34.940 19.639 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 63.335 34.697 19.856 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 64.156 35.472 18.847 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 65.483 67.867 -1.468 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 64.541 67.936 -1.310 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 65.756 68.759 -1.683 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 55.267 27.712 -1.670 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 54.485 28.069 -2.092 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 55.826 28.473 -1.517 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 38.876 83.046 66.581 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 39.394 82.455 67.126 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 38.567 82.498 65.859 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 51.085 5.999 29.544 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 50.752 5.726 30.399 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 50.646 6.832 29.371 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 41.143 26.088 64.915 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 41.683 26.556 65.552 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 40.875 25.289 65.370 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 27.824 94.674 35.238 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 28.659 94.756 35.698 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 27.796 95.433 34.655 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 62.561 31.260 58.483 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 62.885 31.913 57.862 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 63.206 30.554 58.448 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 83.260 89.562 55.144 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 82.878 90.236 54.582 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 83.425 88.825 54.556 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 55.618 68.824 45.733 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 55.503 69.138 46.630 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 54.761 68.946 45.324 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 55.482 72.720 47.177 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 56.118 72.967 46.506 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 54.648 72.667 46.710 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 66.106 59.773 30.327 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 65.349 59.259 30.044 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 66.205 59.563 31.255 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 72.088 72.911 55.538 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 71.557 72.286 56.030 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 71.743 72.870 54.646 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 84.497 83.730 38.177 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 83.821 83.088 37.959 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 84.655 84.198 37.357 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 51.812 71.731 26.328 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 51.614 72.080 25.459 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 51.770 70.781 26.220 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 57.115 84.719 11.968 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 56.549 84.075 12.395 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 56.524 85.429 11.718 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 35.837 49.888 55.175 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 35.565 49.312 55.889 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 35.040 50.360 54.931 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 75.312 41.877 21.016 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 74.795 42.363 20.372 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 76.219 42.112 20.821 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 27.491 84.406 28.557 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 26.812 84.614 29.198 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 28.297 84.350 29.071 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 67.104 91.067 -13.025 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 67.124 91.459 -12.152 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 67.447 90.183 -12.899 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 72.476 41.998 -18.925 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 71.598 42.256 -19.206 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 72.959 42.822 -18.859 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 34.346 89.195 47.192 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 35.082 89.543 46.689 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 33.829 88.704 46.553 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 41.653 14.937 3.176 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 42.199 15.221 2.443 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 40.804 15.351 3.017 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 49.813 54.017 -9.786 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 50.031 53.963 -8.856 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 49.671 54.950 -9.945 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 62.929 47.988 47.638 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 63.763 47.660 47.301 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 62.639 48.623 46.984 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 45.378 82.202 65.285 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 45.233 82.191 64.339 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 44.512 82.363 65.658 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 53.790 85.874 30.923 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 53.898 84.931 30.807 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 53.339 86.164 30.130 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 39.602 67.583 59.865 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 40.063 66.820 60.214 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 39.220 68.005 60.635 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 71.246 77.391 -6.603 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 71.630 76.521 -6.492 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 71.614 77.908 -5.886 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 88.291 7.375 3.835 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 88.756 6.680 4.302 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 88.979 7.980 3.559 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 55.424 94.686 48.739 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 55.297 95.271 49.486 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 54.741 94.937 48.117 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 45.999 39.915 64.188 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 46.783 40.443 64.036 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 46.086 39.178 63.583 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 77.650 73.388 51.968 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 77.820 73.101 52.865 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 76.740 73.140 51.805 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 39.524 38.585 10.221 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 39.559 39.541 10.174 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 39.510 38.391 11.158 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 26.337 21.271 53.552 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 26.394 20.565 52.908 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 26.712 20.899 54.350 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 47.878 78.913 20.193 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 47.995 77.984 19.994 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 48.369 79.048 21.004 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 71.453 37.703 29.595 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 71.984 37.231 28.954 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 72.076 37.972 30.270 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 85.651 82.813 -11.651 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 86.605 82.870 -11.689 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 85.453 82.702 -10.721 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 79.098 70.860 32.155 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 79.165 69.907 32.218 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 78.962 71.030 31.223 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 39.640 29.155 -5.222 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 39.532 29.546 -6.089 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 39.415 28.233 -5.345 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 46.982 90.152 -9.173 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 46.033 90.139 -9.298 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 47.174 89.338 -8.708 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 31.093 19.031 60.559 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 31.871 19.440 60.181 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 31.409 18.204 60.923 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 68.532 30.193 27.084 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 69.124 29.448 26.974 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 68.436 30.285 28.032 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 30.524 16.038 33.115 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 30.161 16.866 33.431 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 31.344 16.283 32.687 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 69.065 67.973 50.800 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 68.625 67.174 50.508 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 69.582 68.252 50.044 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 80.853 40.155 18.028 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 80.230 40.686 18.524 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 80.316 39.482 17.610 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 66.748 50.925 24.749 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 66.615 50.332 24.009 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 65.914 50.915 25.218 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 89.216 82.960 27.624 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 89.786 83.676 27.343 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 89.692 82.165 27.381 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 21.308 26.038 64.692 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 21.515 26.239 65.605 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 20.967 26.858 64.336 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 37.698 52.470 -8.866 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 38.065 53.326 -8.642 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 37.059 52.294 -8.176 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 60.405 0.908 -11.823 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 61.060 0.250 -12.056 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 59.665 0.402 -11.488 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 74.048 43.676 8.655 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 73.104 43.833 8.680 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 74.403 44.238 9.344 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 55.481 59.161 -7.898 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 54.808 59.654 -7.430 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 56.137 58.958 -7.231 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 81.346 14.884 -15.401 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 80.660 15.019 -16.054 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 81.543 13.948 -15.450 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 81.154 66.650 66.355 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 80.716 66.130 65.681 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 82.019 66.249 66.442 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 88.842 59.706 19.592 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 88.790 59.311 20.462 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 89.240 59.029 19.044 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 86.172 16.043 -5.367 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 87.031 16.462 -5.327 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 86.092 15.578 -4.535 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 77.155 49.987 16.321 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 76.739 50.747 15.915 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 77.104 50.158 17.261 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 44.990 71.922 -9.532 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 44.355 72.371 -8.974 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 45.822 72.011 -9.068 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 32.524 22.007 4.914 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 32.792 21.242 5.422 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 33.019 21.939 4.097 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 62.123 4.801 13.221 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 61.236 4.590 13.510 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 62.201 4.387 12.361 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 72.930 39.935 1.644 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 73.732 39.689 2.105 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 72.934 39.398 0.852 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 25.612 50.096 7.121 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 26.397 50.477 6.727 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 25.039 49.906 6.378 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 56.847 18.016 40.926 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 57.005 18.903 41.250 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 56.170 18.121 40.257 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 63.071 29.162 2.836 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 62.980 29.368 3.766 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 62.171 29.085 2.518 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 83.798 85.557 59.200 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 84.366 84.796 59.323 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 83.476 85.473 58.302 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 57.380 14.143 33.642 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 56.790 13.420 33.428 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 57.058 14.878 33.121 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 69.585 49.801 29.707 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 69.301 49.666 30.611 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 68.956 49.306 29.181 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 59.822 90.331 11.718 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 59.752 89.562 12.283 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 58.928 90.669 11.661 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 21.072 10.364 37.276 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 21.134 10.789 38.131 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 20.523 10.951 36.755 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 46.427 0.859 65.738 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 45.875 0.302 66.287 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 46.644 1.606 66.296 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 65.185 78.107 5.992 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 64.363 77.808 5.604 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 65.357 77.487 6.700 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 80.431 38.244 63.871 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 81.148 37.610 63.842 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 80.166 38.348 62.957 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 46.511 40.793 46.222 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 47.316 40.811 46.741 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 46.560 41.577 45.676 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 46.625 3.799 -15.915 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 47.364 3.192 -15.858 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 46.980 4.638 -15.621 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 58.395 76.298 -5.923 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 58.910 77.090 -5.770 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 58.817 75.879 -6.673 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 63.306 17.486 13.971 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 63.778 16.904 13.375 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 63.269 18.323 13.509 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 65.108 91.731 55.251 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 65.970 92.081 55.475 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 64.494 92.411 55.529 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 85.471 93.947 2.415 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 85.044 93.602 1.631 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 85.687 93.171 2.932 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 61.153 19.304 27.499 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 61.618 19.248 28.334 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 61.057 20.243 27.340 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 84.052 27.986 -8.723 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 83.560 28.203 -9.515 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 84.380 27.100 -8.880 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 85.169 89.980 -4.036 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 84.831 89.629 -4.859 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 85.543 89.221 -3.587 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 89.821 89.713 -13.361 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 90.730 89.886 -13.116 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 89.396 89.455 -12.543 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 45.434 95.282 6.527 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 45.421 94.800 7.354 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 46.031 96.014 6.686 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 71.046 81.096 33.552 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 71.897 81.516 33.425 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 70.514 81.404 32.819 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 52.380 3.354 60.720 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 53.271 3.037 60.571 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 52.383 4.247 60.374 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 25.177 6.892 63.846 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 24.320 6.811 63.427 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 25.795 6.560 63.194 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 80.018 64.428 -15.824 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 79.811 64.577 -16.747 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 80.833 64.908 -15.681 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 89.968 34.535 66.801 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 90.097 34.042 65.991 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 90.826 34.526 67.226 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 90.555 86.706 39.104 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 90.556 85.962 38.502 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 89.641 86.794 39.376 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 39.861 11.322 55.521 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 39.585 10.788 56.266 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 40.355 12.043 55.912 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 32.819 79.033 17.687 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 32.085 79.447 17.233 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 32.818 78.129 17.372 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 58.525 26.520 42.165 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 59.452 26.683 41.991 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 58.065 27.200 41.672 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 23.375 51.983 -14.270 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 22.866 51.304 -14.713 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 22.759 52.382 -13.656 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 68.309 20.469 24.362 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 67.357 20.441 24.450 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 68.527 21.400 24.406 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 49.549 39.174 49.444 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 49.011 39.074 50.229 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 49.054 39.779 48.890 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 49.153 12.560 13.007 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 48.207 12.618 12.876 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 49.333 13.168 13.724 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 41.895 11.338 -2.918 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 41.373 12.140 -2.929 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 41.598 10.848 -3.684 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 49.951 9.285 22.344 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 49.390 9.951 21.946 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 49.341 8.631 22.686 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 42.156 17.492 37.674 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 42.976 17.949 37.489 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 41.582 17.724 36.944 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 29.988 52.131 -15.479 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 30.390 51.295 -15.713 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 29.831 52.565 -16.317 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 26.696 80.830 28.495 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 26.984 81.226 29.318 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 26.925 79.905 28.581 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 57.081 4.575 60.564 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 56.529 4.675 61.339 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 57.851 4.100 60.877 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 66.332 54.554 10.136 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 66.248 55.073 10.935 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 66.293 53.646 10.434 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 45.707 79.094 21.934 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 45.979 79.112 21.017 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 46.247 78.410 22.331 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 81.059 38.776 4.725 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 80.929 39.360 5.472 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 81.688 39.235 4.169 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 75.905 5.631 37.032 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 75.295 5.911 36.350 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 75.375 5.596 37.828 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 90.588 75.325 63.910 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 89.673 75.411 63.643 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 91.036 76.049 63.472 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 66.944 45.107 -19.666 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 67.500 45.754 -19.231 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 66.512 44.641 -18.950 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 74.366 82.964 33.823 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 74.298 82.230 34.435 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 74.594 83.714 34.372 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 64.421 13.305 65.562 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 63.819 13.947 65.186 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 65.078 13.164 64.881 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 23.050 71.571 -10.771 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 23.397 70.863 -10.228 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 22.382 71.986 -10.225 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 38.245 72.376 26.646 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 38.654 71.809 27.300 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 38.668 72.136 25.822 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 80.895 89.206 33.362 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 81.098 90.036 32.931 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 80.663 88.615 32.646 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 48.885 37.087 52.403 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 48.363 37.008 51.605 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 49.077 38.022 52.473 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 24.138 79.421 56.306 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 23.408 78.872 56.594 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 23.721 80.199 55.937 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 31.975 4.910 56.417 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 31.215 4.541 55.968 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 32.260 5.631 55.856 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 88.695 6.345 7.553 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 88.069 7.067 7.621 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 89.294 6.478 8.287 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 71.796 73.937 65.962 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 71.382 73.077 65.894 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 71.143 74.545 65.614 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 56.686 72.250 34.560 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 55.849 72.707 34.640 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 56.460 71.400 34.182 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 71.354 47.363 -7.861 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 71.345 46.588 -8.423 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 71.503 47.019 -6.980 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 38.572 46.194 65.622 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 38.845 46.343 66.527 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 39.099 45.449 65.332 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 42.883 65.062 61.829 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 43.657 65.582 61.614 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 42.989 64.253 61.329 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 66.786 12.875 23.133 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 67.361 12.119 23.013 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 67.219 13.401 23.807 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 79.051 12.428 36.904 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 79.132 12.321 35.956 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 79.588 11.725 37.271 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 77.516 42.419 -12.278 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 77.517 42.978 -11.501 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 76.977 41.667 -12.032 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 63.967 42.020 53.213 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 64.370 42.570 53.885 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 63.629 42.640 52.567 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 65.368 11.168 61.668 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 65.599 11.916 62.219 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 64.509 10.891 61.988 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 88.787 15.967 34.154 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 88.448 16.861 34.139 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 89.062 15.798 33.253 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 39.651 25.488 21.848 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 38.737 25.770 21.878 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 39.655 24.752 21.235 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 75.775 31.771 -11.245 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 76.179 32.509 -11.702 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 76.126 31.820 -10.355 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 72.386 35.978 48.391 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 73.167 35.499 48.115 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 71.674 35.345 48.308 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 26.188 10.128 57.999 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 26.961 10.105 57.435 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 26.043 11.058 58.171 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 69.044 44.941 -12.225 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 68.660 44.465 -11.489 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 68.602 44.587 -12.997 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 83.513 37.946 17.439 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 84.267 38.329 17.887 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 83.520 37.026 17.703 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 64.029 33.674 29.169 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 63.901 34.621 29.234 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 63.578 33.426 28.362 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 59.844 32.642 37.830 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 59.793 32.182 36.992 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 60.766 32.881 37.916 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 39.153 38.157 40.545 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 38.205 38.177 40.419 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 39.483 37.642 39.809 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 74.925 32.953 32.960 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 75.772 33.383 33.079 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 74.300 33.526 33.404 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 68.421 43.498 -2.752 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 67.482 43.330 -2.678 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 68.825 42.862 -2.161 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 46.181 6.199 58.746 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 45.237 6.089 58.632 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 46.516 6.329 57.859 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 21.949 65.208 26.708 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 21.425 64.448 26.456 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 22.332 64.967 27.552 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 49.468 28.569 -12.102 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 49.511 27.747 -11.613 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 48.783 29.073 -11.663 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 69.276 26.126 -5.635 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 68.862 26.431 -6.442 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 70.197 26.006 -5.868 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 25.104 83.410 60.733 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 25.762 83.941 60.285 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 25.121 82.569 60.276 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 22.245 22.305 38.759 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 22.526 21.413 38.965 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 22.426 22.404 37.825 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 89.653 73.712 58.111 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 89.446 74.228 58.890 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 90.601 73.803 58.008 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 26.407 24.859 32.474 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 26.871 24.528 31.705 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 25.893 25.596 32.145 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 36.408 90.413 10.854 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 37.259 90.023 10.656 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 36.286 90.262 11.791 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 39.871 11.083 62.315 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 39.765 11.872 62.845 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 39.837 10.363 62.945 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 44.599 74.235 58.461 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 45.291 73.944 57.867 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 44.155 74.937 57.986 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 79.660 89.686 25.827 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 79.690 90.052 24.943 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 78.984 89.009 25.783 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 46.564 95.291 18.776 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 46.511 94.527 19.351 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 47.192 95.872 19.206 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 45.870 3.043 55.282 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 46.001 3.158 56.223 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 45.701 2.107 55.176 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 70.874 2.734 59.151 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 71.626 3.070 58.663 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 70.935 3.157 60.008 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 34.932 11.614 30.280 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 35.111 12.212 29.554 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 34.931 12.173 31.057 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 34.538 29.958 33.028 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 34.801 30.449 33.806 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 34.129 29.164 33.372 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 38.592 20.168 29.120 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 38.369 21.098 29.171 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 39.508 20.127 29.394 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 55.661 14.159 13.667 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 55.503 15.089 13.829 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 55.688 13.765 14.538 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 83.360 26.338 -15.167 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 83.002 26.820 -15.913 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 83.294 25.418 -15.422 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 60.936 47.759 31.714 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 60.737 48.589 31.280 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 61.579 47.338 31.144 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 63.206 48.433 24.683 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 62.492 48.999 24.977 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 62.775 47.751 24.168 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 73.556 17.327 59.526 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 73.280 17.097 58.639 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 73.543 18.284 59.542 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 67.748 7.562 1.881 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 67.826 8.499 1.703 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 66.857 7.454 2.214 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 87.374 33.554 -0.738 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 87.951 34.276 -0.987 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 87.968 32.832 -0.533 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 58.231 86.850 29.544 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 58.777 87.324 30.172 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 57.471 86.568 30.053 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 30.663 41.839 20.327 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 30.688 42.766 20.092 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 30.089 41.801 21.092 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 40.370 12.328 42.189 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 41.252 12.557 41.898 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 39.936 11.998 41.402 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 81.444 80.655 23.326 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 80.719 81.178 23.667 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 81.596 79.988 23.996 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 43.126 59.365 11.956 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 43.755 60.066 11.782 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 43.223 59.181 12.890 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 89.283 40.790 59.027 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 90.160 40.416 59.111 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 88.803 40.158 58.492 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 34.293 43.908 5.554 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 33.859 44.256 6.332 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 35.067 44.460 5.444 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 24.268 3.946 -6.139 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 24.329 3.704 -7.062 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 24.146 4.895 -6.147 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 82.903 20.445 2.245 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 83.718 20.942 2.163 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 82.370 20.959 2.851 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 35.012 28.174 0.385 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 35.843 28.177 -0.090 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 35.123 27.502 1.058 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 48.604 18.474 33.097 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 49.359 17.965 33.392 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 48.950 19.039 32.407 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 56.468 51.607 47.529 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 56.725 52.528 47.491 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 57.187 51.175 47.991 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 75.270 31.473 21.316 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 75.052 30.547 21.206 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 75.700 31.518 22.170 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 63.405 13.012 -0.410 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 63.301 13.588 -1.167 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 63.264 13.581 0.346 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 46.152 17.192 25.633 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 45.357 16.756 25.328 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 46.593 17.475 24.831 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 62.653 72.052 42.520 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 61.891 72.624 42.608 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 63.403 72.645 42.552 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 68.924 52.328 -8.739 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 68.667 52.070 -7.853 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 68.142 52.740 -9.105 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 48.168 14.782 22.178 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 47.657 15.545 21.909 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 49.017 15.140 22.437 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 80.559 54.189 4.796 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 79.749 53.715 4.984 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 80.822 53.880 3.929 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 40.972 46.683 19.902 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 41.115 45.761 20.117 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 41.373 47.163 20.626 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 56.423 16.203 32.012 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 55.652 15.801 31.612 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 56.657 16.916 31.418 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 39.436 79.667 2.652 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 39.955 79.906 1.884 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 39.728 78.783 2.873 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 79.837 91.031 35.425 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 80.197 90.379 34.824 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 80.088 90.720 36.295 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 86.035 62.445 65.747 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 85.621 61.662 66.110 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 85.914 63.115 66.420 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 27.188 17.669 -16.127 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 27.079 18.596 -15.915 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 27.615 17.295 -15.357 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 67.414 55.352 2.550 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 67.268 55.599 3.463 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 66.537 55.182 2.204 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 32.394 65.884 45.887 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 33.031 66.461 46.308 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 32.893 65.100 45.660 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 76.200 31.201 63.258 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 75.956 32.104 63.461 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 77.152 31.181 63.359 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 76.299 79.509 58.876 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 76.590 79.244 59.749 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 75.905 80.372 59.006 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 57.323 13.380 25.010 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 56.684 12.797 25.419 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 58.171 12.981 25.207 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 43.164 96.381 -15.026 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 43.071 96.125 -14.109 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 42.386 96.025 -15.455 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 45.513 87.278 53.155 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 46.088 86.738 53.698 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 45.577 86.892 52.281 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 89.953 32.420 47.109 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 90.303 33.080 47.706 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 89.548 32.925 46.404 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 75.542 26.838 -7.990 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 75.069 27.668 -7.931 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 74.907 26.226 -8.362 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 62.516 41.399 9.412 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 62.954 41.374 10.263 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 62.763 40.576 8.991 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 36.023 95.977 -0.055 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 35.943 96.723 0.540 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 36.591 95.361 0.406 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 37.651 29.725 7.334 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 37.241 28.969 7.757 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 37.369 30.474 7.858 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 54.775 26.400 1.929 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 55.014 27.319 2.052 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 55.405 25.915 2.462 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 67.503 42.707 53.216 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 67.730 41.781 53.128 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 66.624 42.703 53.594 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 52.899 49.209 -4.824 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 52.657 48.300 -4.644 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 52.343 49.726 -4.242 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 41.540 11.203 18.438 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 41.861 11.385 17.555 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 40.860 10.541 18.314 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 40.308 3.270 -8.149 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 40.602 2.680 -7.455 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 40.412 4.147 -7.780 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 87.774 19.203 55.265 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 87.865 18.849 56.150 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 88.121 20.093 55.325 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 31.591 63.191 5.719 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 32.245 63.394 6.388 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 30.753 63.407 6.129 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 26.338 14.858 6.473 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 27.266 14.625 6.460 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 26.323 15.770 6.762 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 25.994 69.150 0.191 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 25.698 69.744 0.880 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 26.945 69.122 0.290 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 76.976 16.565 43.618 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 76.323 15.876 43.495 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 76.724 17.248 42.997 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 60.398 21.662 16.960 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 60.114 22.245 17.665 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 59.922 21.969 16.188 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 88.191 38.261 48.270 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 89.138 38.120 48.270 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 88.035 38.843 49.014 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 37.208 85.651 37.911 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 37.861 85.102 38.346 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 37.119 85.271 37.037 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 71.715 45.344 35.972 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 71.849 45.657 35.078 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 71.040 44.670 35.892 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 39.577 16.256 -15.262 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 40.059 15.447 -15.434 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 39.009 16.043 -14.521 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 70.380 32.928 39.291 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 69.639 33.527 39.193 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 71.055 33.285 38.713 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 59.856 30.073 42.315 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 59.572 30.911 42.682 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 59.779 30.188 41.368 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 20.394 68.923 32.546 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 20.564 69.082 31.618 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 21.007 68.229 32.788 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 26.702 52.657 -11.119 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 26.966 51.928 -11.679 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 26.779 52.316 -10.228 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 33.819 4.714 9.360 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 34.304 5.537 9.304 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 32.957 4.965 9.690 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 48.116 6.906 -6.807 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 48.053 7.373 -7.640 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 48.115 7.596 -6.144 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 75.073 41.355 39.699 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 74.957 41.686 38.808 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 75.862 40.815 39.654 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 21.441 35.053 39.500 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 22.031 34.671 40.150 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 20.950 35.717 39.983 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 37.206 84.134 60.321 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 37.377 84.671 59.547 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 37.710 83.334 60.174 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 81.059 49.687 10.993 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 81.082 49.286 10.124 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 80.143 49.932 11.120 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 29.711 36.087 2.402 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 28.980 36.685 2.245 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 30.096 35.946 1.537 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 36.733 79.910 25.591 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 36.992 80.098 26.493 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 37.465 79.408 25.231 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 74.617 72.115 65.950 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 73.862 72.677 65.776 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 75.250 72.689 66.381 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 85.722 85.275 5.890 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 85.187 84.549 6.212 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 86.319 85.471 6.612 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 78.889 46.560 -0.750 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 79.771 46.921 -0.664 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 78.823 46.306 -1.671 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 31.176 9.885 42.487 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 30.997 9.277 41.770 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 31.164 9.339 43.273 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 56.685 95.554 35.432 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 56.448 95.739 36.340 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 57.640 95.614 35.415 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 87.490 53.612 55.826 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 86.802 53.889 56.431 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 88.305 53.768 56.302 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 52.165 42.739 33.892 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 51.215 42.655 33.968 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 52.444 41.932 33.458 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 71.997 77.522 64.624 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 71.157 77.161 64.906 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 71.782 78.387 64.276 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 74.098 11.432 63.461 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 74.097 11.813 64.339 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 74.040 12.184 62.873 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 79.908 7.498 55.443 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 79.449 7.638 54.615 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 80.674 6.974 55.207 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 50.973 43.997 -14.817 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 50.577 44.777 -14.428 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 50.250 43.375 -14.898 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 55.669 49.967 0.112 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 55.439 50.782 -0.335 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 55.612 50.181 1.043 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 20.677 9.405 -19.169 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 20.841 8.470 -19.048 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 21.537 9.775 -19.368 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 64.998 51.593 -18.179 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 65.133 51.109 -17.364 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 64.703 52.459 -17.898 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 64.827 41.115 34.278 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 65.493 41.761 34.043 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 64.145 41.220 33.614 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 20.945 34.142 48.855 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 20.962 34.120 49.812 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 21.380 34.963 48.626 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 39.500 23.797 40.301 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 40.443 23.895 40.171 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 39.375 23.900 41.245 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 53.396 27.841 -10.033 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 54.212 28.341 -10.004 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 52.766 28.435 -10.442 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 60.973 40.767 35.822 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 60.963 40.451 34.919 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 61.889 40.991 35.988 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 53.185 23.778 46.860 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 53.948 23.993 46.323 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 53.427 24.054 47.744 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 40.332 77.903 51.369 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 39.874 78.082 50.547 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 40.428 76.951 51.387 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 27.487 37.548 -12.777 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 26.905 37.331 -13.506 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 28.322 37.765 -13.193 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 74.226 52.896 10.923 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 73.470 53.246 10.451 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 73.870 52.599 11.760 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 22.185 91.291 31.281 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 22.967 91.832 31.167 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 21.896 91.473 32.175 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 79.081 87.877 37.726 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 78.701 87.771 36.854 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 78.329 87.872 38.318 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 89.345 53.184 44.442 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 88.432 53.465 44.485 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 89.398 52.447 45.051 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 67.473 50.114 17.225 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 67.308 50.882 17.773 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 66.603 49.805 16.976 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 87.057 34.216 -12.874 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 86.543 35.024 -12.881 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 87.048 33.934 -11.959 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 86.286 94.612 -8.106 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 86.023 93.761 -8.456 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 86.976 94.913 -8.698 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 63.408 29.461 26.790 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 64.075 29.908 26.268 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 63.063 28.783 26.209 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 63.114 35.726 25.202 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 62.993 36.575 25.627 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 63.353 35.941 24.300 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 76.123 14.619 -10.180 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 76.324 14.668 -9.245 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 75.249 15.002 -10.258 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 86.496 61.002 10.424 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 86.899 60.184 10.135 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 87.234 61.586 10.597 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 88.659 56.302 32.325 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 89.132 57.132 32.263 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 88.193 56.353 33.159 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 52.766 1.104 15.512 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 52.378 0.546 14.836 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 53.672 1.227 15.230 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 35.334 13.401 6.870 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 35.019 13.768 6.044 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 35.980 14.034 7.183 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 57.338 27.829 -4.324 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 57.813 28.634 -4.530 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 56.415 28.081 -4.352 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 68.458 91.800 -2.076 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 68.614 92.554 -1.508 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 67.547 91.893 -2.354 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 90.277 90.923 -4.519 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 89.953 91.401 -3.756 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 89.489 90.578 -4.939 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 79.060 34.431 9.589 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 78.804 33.836 10.293 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 79.489 35.161 10.035 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 84.808 33.370 33.768 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 85.432 34.084 33.635 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 84.384 33.260 32.917 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 84.743 30.393 -1.859 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 84.661 29.793 -1.118 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 85.260 31.124 -1.521 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 84.827 0.675 -0.352 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 84.533 1.003 -1.202 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 85.106 -0.224 -0.525 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 47.145 35.686 -5.582 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 46.309 36.153 -5.574 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 47.785 36.336 -5.290 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 30.362 36.876 37.241 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 29.593 37.369 36.955 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 30.607 36.350 36.480 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 34.961 55.958 19.266 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 34.881 55.159 19.787 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 35.737 55.815 18.724 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 88.895 64.580 8.497 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 89.240 64.021 7.801 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 89.636 65.129 8.753 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 90.038 95.315 55.486 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 89.486 94.800 56.076 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 90.838 95.477 55.987 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 35.969 14.451 62.460 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 35.900 13.570 62.826 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 36.298 14.317 61.571 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 50.021 8.830 37.503 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 50.145 7.974 37.914 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 50.708 8.878 36.838 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 82.671 42.321 52.118 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 82.623 41.872 51.274 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 82.424 43.225 51.923 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 59.696 62.761 21.378 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 59.290 63.579 21.094 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 60.007 62.354 20.569 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 63.725 8.251 48.622 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 63.889 8.451 47.700 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 64.153 7.406 48.764 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 80.827 57.967 42.762 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 80.713 58.541 42.004 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 80.592 57.096 42.442 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 78.785 53.194 -7.885 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 78.494 52.786 -7.069 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 79.629 53.590 -7.668 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 37.518 80.366 -15.725 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 38.249 80.430 -15.110 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 36.809 80.853 -15.305 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 20.921 30.805 4.792 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 20.971 31.047 3.867 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 20.095 31.182 5.095 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 33.453 18.563 35.537 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 33.346 19.166 34.802 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 34.392 18.577 35.725 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 68.846 15.537 7.824 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 68.859 16.429 8.172 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 69.564 15.516 7.191 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 34.251 19.453 -6.191 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 34.882 20.171 -6.139 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 34.466 19.002 -7.007 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 57.993 55.736 -4.448 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 57.142 55.454 -4.112 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 58.346 56.304 -3.763 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 26.958 18.821 -5.594 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 27.873 18.867 -5.319 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 26.462 18.798 -4.776 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 58.870 47.607 53.691 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 59.579 48.099 54.106 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 59.135 46.691 53.772 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 72.188 56.647 41.119 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 71.469 57.105 40.685 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 72.801 56.440 40.414 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 76.928 66.087 14.702 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 77.088 65.411 14.045 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 76.037 65.918 15.010 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 66.196 47.812 -0.441 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 65.395 48.003 0.046 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 66.857 47.660 0.234 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 76.372 46.816 41.428 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 75.887 46.066 41.085 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 76.360 47.457 40.717 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 23.421 58.482 16.271 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 24.213 57.976 16.092 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 23.101 58.141 17.107 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 85.144 23.239 59.101 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 85.052 22.342 59.424 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 84.573 23.276 58.333 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 28.037 16.872 50.197 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 28.857 17.363 50.257 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 27.426 17.475 49.775 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 31.935 78.159 61.320 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 32.867 77.952 61.255 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 31.499 77.307 61.315 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 52.145 52.157 60.119 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 52.524 52.982 59.817 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 51.630 51.844 59.375 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 38.014 48.401 -14.406 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 38.947 48.495 -14.596 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 37.673 49.296 -14.429 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 67.937 57.777 0.014 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 67.262 57.907 0.681 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 68.734 58.134 0.406 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 74.729 3.695 61.552 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 74.623 3.166 60.761 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 75.327 4.396 61.294 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 54.141 69.374 -19.039 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 54.642 69.262 -18.231 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 53.240 69.512 -18.745 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 50.023 64.165 -16.965 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 49.113 64.244 -17.251 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 50.436 63.612 -17.627 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 57.878 96.586 45.833 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 58.479 96.362 45.122 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 57.357 95.794 45.964 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 33.897 95.769 62.723 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 33.731 95.761 61.781 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 34.428 96.553 62.866 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 88.317 96.032 13.685 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 87.439 95.655 13.640 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 88.898 95.277 13.783 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 81.422 38.072 -11.960 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 80.911 37.284 -11.773 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 80.795 38.790 -11.879 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 83.860 37.182 -17.444 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 84.542 37.830 -17.267 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 83.039 37.651 -17.298 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 29.332 44.269 63.803 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 29.818 43.739 64.435 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 29.692 44.018 62.952 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 20.604 83.581 10.377 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 20.924 83.385 11.258 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 21.393 83.788 9.876 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 83.666 62.580 -1.015 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 84.539 62.193 -0.946 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 83.821 63.524 -1.023 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 89.890 35.566 16.841 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 90.363 34.964 17.415 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 90.576 36.082 16.417 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 59.786 22.370 40.470 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 60.414 22.565 39.775 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 58.976 22.154 40.008 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 37.604 15.594 4.658 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 37.255 16.439 4.373 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 36.938 14.959 4.395 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 46.064 26.313 -13.181 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 45.293 25.772 -13.353 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 46.014 26.510 -12.245 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 61.276 44.900 -11.681 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 60.838 45.191 -10.881 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 60.763 44.148 -11.976 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 59.278 66.801 -8.994 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 60.140 67.044 -8.657 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 58.785 67.622 -9.007 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 82.960 1.197 1.737 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 82.811 2.101 1.460 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 83.608 0.860 1.118 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 71.971 84.571 -2.930 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 71.840 83.665 -3.210 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 71.515 85.094 -3.590 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 47.647 40.284 11.849 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 48.161 39.476 11.859 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 48.245 40.953 12.181 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 37.758 61.389 -15.241 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 38.255 62.177 -15.457 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 37.849 61.300 -14.292 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 24.409 94.668 18.473 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 24.670 93.876 18.942 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 24.590 95.381 19.085 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 42.586 18.469 45.730 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 43.435 18.029 45.692 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 42.408 18.726 44.825 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 54.831 24.485 11.789 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 54.468 24.095 12.584 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 54.082 24.901 11.362 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 57.722 80.470 36.159 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 57.836 79.857 35.432 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 57.242 79.970 36.820 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 81.167 21.901 -19.229 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 80.666 22.644 -19.566 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 82.067 22.224 -19.175 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 69.972 92.700 0.610 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 69.074 93.004 0.479 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 70.133 92.825 1.545 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 58.208 27.918 3.985 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 58.436 28.236 4.858 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 58.706 28.478 3.389 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 24.351 64.759 58.227 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 24.445 64.932 57.291 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 23.962 65.558 58.582 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 84.773 44.190 -5.982 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 84.137 44.666 -5.447 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 84.692 43.279 -5.698 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 55.462 69.476 0.313 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 54.699 69.170 0.803 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 56.173 69.483 0.954 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 76.905 31.369 42.533 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 77.416 31.256 41.732 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 77.488 31.841 43.127 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 58.686 55.884 19.306 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 57.948 55.473 19.757 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 58.343 56.724 19.003 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 27.829 55.196 41.243 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 26.906 55.007 41.411 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 27.859 55.440 40.318 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 39.088 51.282 47.944 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 40.017 51.065 47.871 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 39.044 52.219 47.755 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 39.023 21.874 -4.929 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 39.567 22.188 -5.651 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 39.515 22.104 -4.141 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 23.582 28.517 -16.396 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 23.868 27.900 -17.069 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 22.799 28.927 -16.763 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 78.261 38.055 34.995 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 78.023 38.978 35.078 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 78.074 37.680 35.856 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 81.691 50.255 21.794 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 81.000 50.057 21.161 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 81.466 49.735 22.566 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 22.107 79.596 3.375 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 21.475 79.021 3.807 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 21.585 80.337 3.066 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 85.528 31.797 4.557 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 84.658 32.156 4.386 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 85.488 30.902 4.220 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 37.340 32.230 49.880 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 38.214 32.013 50.204 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 37.074 31.461 49.374 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 26.739 24.478 25.575 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 27.179 24.003 24.870 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 27.397 24.544 26.267 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 29.495 76.178 11.248 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 29.495 76.456 12.164 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 29.541 75.223 11.288 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 61.322 8.290 14.945 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 61.956 7.791 15.460 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 61.796 8.532 14.150 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 75.656 17.385 -15.624 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 75.829 16.469 -15.840 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 76.469 17.696 -15.226 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 74.825 36.215 -3.292 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 74.069 35.964 -2.762 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 75.416 36.650 -2.677 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 62.155 62.760 27.898 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 61.562 62.710 27.149 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 61.669 62.353 28.616 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 59.281 36.267 -6.717 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 60.110 35.833 -6.921 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 59.512 36.931 -6.068 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 63.916 32.844 -17.044 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 62.977 33.007 -16.952 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 63.977 31.918 -17.280 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 75.536 53.449 5.862 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 75.060 54.276 5.934 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 75.539 53.096 6.752 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 64.978 39.437 -8.073 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 64.255 39.265 -7.470 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 65.679 38.855 -7.780 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 39.525 74.967 -2.788 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 39.337 74.325 -2.104 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 38.794 74.885 -3.401 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 29.829 63.963 12.149 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 29.992 63.143 12.615 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 29.283 64.474 12.747 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 83.273 69.790 -14.620 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 82.763 69.397 -13.912 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 82.655 70.367 -15.069 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 83.720 77.773 21.640 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 82.918 77.974 21.158 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 83.470 77.839 22.562 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 82.087 54.804 57.135 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 81.366 54.515 57.695 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 82.649 55.320 57.713 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 71.926 56.456 29.903 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 71.578 57.328 30.087 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 71.151 55.904 29.804 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 43.846 38.998 51.045 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 44.775 39.224 51.014 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 43.446 39.530 50.357 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 52.197 2.665 43.629 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 53.025 2.251 43.872 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 51.840 2.104 42.940 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 38.604 27.954 -12.457 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 39.070 28.699 -12.835 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 38.471 28.193 -11.540 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 48.504 37.902 20.881 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 48.764 38.110 19.984 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 48.791 38.656 21.395 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 74.296 64.881 -2.005 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 74.117 64.373 -1.214 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 73.451 65.263 -2.241 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 85.316 53.609 26.349 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 85.649 54.501 26.449 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 84.423 53.722 26.021 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 35.177 58.975 -13.313 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 35.498 58.700 -12.454 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 35.860 58.699 -13.924 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 90.085 92.520 5.702 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 90.733 93.164 5.414 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 89.828 92.813 6.576 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 70.019 7.736 6.887 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 70.081 8.535 7.410 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 69.285 7.256 7.269 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 22.223 27.290 26.321 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 21.651 27.775 25.726 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 22.535 26.549 25.802 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 74.662 49.601 10.792 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 74.925 49.754 11.700 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 73.950 48.964 10.853 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 20.818 35.635 60.851 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 21.755 35.571 60.665 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 20.559 34.745 61.090 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 32.573 42.444 36.811 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 33.217 42.558 36.112 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 31.877 41.920 36.413 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 78.320 70.696 8.278 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 78.225 69.751 8.161 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 77.461 71.053 8.056 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 46.834 85.459 20.595 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 46.498 84.952 19.855 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 47.114 84.799 21.230 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 25.212 11.361 3.375 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 24.598 11.825 2.806 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 24.983 10.438 3.274 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 28.561 67.109 5.558 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 28.448 66.725 6.428 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 27.736 67.562 5.386 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 51.652 46.467 -9.914 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 51.318 47.273 -10.307 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 52.263 46.118 -10.564 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 47.429 91.701 6.837 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 46.935 90.990 7.244 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 47.685 92.265 7.567 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 52.781 4.960 40.219 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 53.453 5.211 39.585 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 53.266 4.536 40.927 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 34.505 8.779 -2.096 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 35.381 9.123 -1.926 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 33.923 9.336 -1.579 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 29.273 21.953 -10.478 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 28.415 21.778 -10.090 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 29.615 22.695 -9.981 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 69.139 68.672 -12.559 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 68.206 68.589 -12.361 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 69.191 68.579 -13.511 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 83.867 35.365 12.326 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 83.105 35.915 12.507 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 83.510 34.481 12.240 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 51.465 80.297 12.640 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 50.568 80.115 12.920 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 51.598 79.732 11.879 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 50.944 26.706 -14.044 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 50.552 27.532 -13.763 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 51.496 26.439 -13.308 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 68.684 50.804 3.701 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 68.566 51.745 3.827 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 68.837 50.461 4.581 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 39.776 3.304 -13.860 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 39.344 3.465 -13.022 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 39.316 3.870 -14.480 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 71.469 66.122 28.840 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 70.687 65.784 29.276 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 71.513 65.637 28.016 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 45.205 79.595 33.273 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 45.772 78.941 32.865 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 44.320 79.344 33.009 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 22.829 14.350 35.463 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 22.961 13.667 36.121 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 22.654 15.142 35.971 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 62.797 74.579 38.752 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 62.005 74.110 39.012 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 63.232 73.992 38.134 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 71.061 54.978 48.658 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 70.272 54.548 48.988 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 70.931 55.905 48.859 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 37.084 74.882 -18.982 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 37.785 75.504 -19.175 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 36.278 75.378 -19.126 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 51.292 93.693 8.067 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 51.166 93.339 7.187 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 50.561 93.342 8.574 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 64.742 80.054 60.449 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 65.581 80.316 60.071 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 64.167 79.928 59.694 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 85.745 71.486 48.784 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 85.732 70.842 49.492 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 86.163 71.031 48.054 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 86.646 77.495 53.505 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 86.991 78.304 53.128 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 85.729 77.693 53.697 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 60.908 42.065 51.687 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 60.307 41.547 52.223 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 61.435 41.416 51.222 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 25.659 43.914 30.243 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 26.305 44.618 30.183 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 24.910 44.233 29.740 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 26.049 29.148 35.433 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 26.105 28.192 35.431 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 26.192 29.398 34.520 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 45.766 44.398 -15.289 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 46.233 44.466 -14.456 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 45.209 45.176 -15.316 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 44.213 73.966 53.543 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 43.627 73.451 52.988 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 43.947 74.873 53.395 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 60.311 65.239 28.256 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 59.431 65.266 27.880 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 60.339 64.414 28.741 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 48.842 45.018 56.743 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 48.204 44.822 57.429 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 49.563 45.448 57.202 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 23.258 42.900 47.112 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 23.645 43.490 46.465 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 23.554 43.242 47.955 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 80.334 67.340 53.435 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 81.284 67.244 53.371 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 80.191 68.285 53.494 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 81.217 68.362 -13.084 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 80.446 67.821 -13.254 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 81.656 67.931 -12.351 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 37.424 50.513 8.854 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 36.830 50.141 9.505 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 38.219 50.723 9.345 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 26.174 30.194 32.761 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 25.313 30.594 32.890 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 26.432 30.459 31.879 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 68.094 26.971 27.417 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 68.742 27.443 26.894 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 67.819 26.244 26.858 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 65.506 19.774 55.018 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 64.729 19.505 54.528 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 66.192 19.173 54.728 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 20.880 42.982 8.284 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 21.417 43.602 7.792 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 19.998 43.354 8.256 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 65.740 71.646 44.718 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 65.718 71.747 45.670 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 66.171 72.441 44.402 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 65.742 21.581 -5.662 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 65.636 21.628 -4.712 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 65.924 22.482 -5.929 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 82.675 67.855 11.587 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 82.105 67.659 12.330 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 82.955 66.998 11.265 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 46.065 87.461 43.376 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 45.264 87.006 43.116 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 46.730 87.144 42.765 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 31.364 69.844 -11.896 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 31.289 68.998 -11.455 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 32.114 70.267 -11.478 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 51.541 0.681 48.599 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 51.836 1.154 47.821 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 52.343 0.505 49.091 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 75.756 16.393 8.448 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 76.153 15.558 8.693 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 75.330 16.220 7.609 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 53.322 10.622 11.388 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 52.704 11.001 10.763 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 52.820 10.536 12.199 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 22.999 88.136 22.368 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 23.910 87.844 22.390 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 22.889 88.517 21.497 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 60.494 77.814 3.664 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 60.403 77.453 4.546 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 60.003 78.636 3.689 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 27.170 83.847 8.666 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 26.533 83.979 9.367 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 27.387 82.915 8.711 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 31.201 83.378 58.803 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 30.956 82.541 58.407 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 31.452 83.155 59.699 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 70.913 75.449 -10.090 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 70.633 76.328 -9.834 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 70.700 74.900 -9.335 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 81.627 50.846 13.898 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 82.527 50.903 13.577 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 81.132 50.488 13.162 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 88.793 86.311 31.741 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 88.809 85.638 31.061 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 88.323 85.906 32.470 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 76.474 16.774 61.614 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 76.675 17.630 61.992 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 77.041 16.164 62.084 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 63.909 6.155 -11.393 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 63.668 5.229 -11.390 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 63.262 6.570 -11.963 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 53.326 13.711 62.113 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 53.192 14.196 61.299 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 52.704 14.099 62.729 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 67.666 80.979 33.200 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 66.979 81.498 32.782 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 68.440 81.121 32.655 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 23.608 86.911 9.833 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 24.099 87.525 10.378 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 24.278 86.441 9.338 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 70.066 67.572 9.558 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 69.704 66.709 9.755 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 70.256 67.544 8.620 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 28.583 93.799 39.416 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 28.566 94.097 40.325 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 28.764 94.589 38.907 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 80.802 65.441 1.463 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 80.934 64.497 1.378 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 81.471 65.828 0.898 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 68.952 73.066 -0.820 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 69.307 72.467 -1.476 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 69.104 73.938 -1.184 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 44.990 84.994 36.803 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 44.697 84.220 37.283 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 44.305 85.145 36.151 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 55.683 27.100 21.802 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 56.356 27.463 22.377 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 55.005 27.775 21.771 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 54.468 47.942 -19.630 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 54.288 47.911 -18.690 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 53.620 47.778 -20.042 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 57.149 89.965 49.057 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 56.209 90.141 49.015 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 57.258 89.130 48.602 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 21.515 96.196 15.829 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 22.052 96.511 16.556 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 22.147 95.956 15.151 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 55.747 5.604 17.500 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 55.095 5.326 16.857 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 55.260 6.150 18.116 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 67.198 51.881 13.775 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 67.016 52.752 14.127 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 66.335 51.504 13.606 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 31.135 71.426 -9.225 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 31.078 71.209 -10.155 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 30.317 71.885 -9.035 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 37.061 79.754 47.802 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 37.268 79.849 46.872 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 37.049 80.651 48.138 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 64.945 63.453 34.277 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 64.458 64.234 34.539 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 64.287 62.881 33.883 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 48.550 84.921 54.376 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 48.974 84.064 54.357 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 48.014 84.907 55.168 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 23.408 48.255 56.495 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 22.768 48.026 55.821 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 24.235 48.345 56.020 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 22.670 53.792 12.866 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 22.344 54.664 13.086 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 22.007 53.428 12.280 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 35.930 87.653 -16.284 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 36.470 88.002 -15.575 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 36.459 87.779 -17.073 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 47.974 35.801 55.975 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 47.260 36.052 56.561 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 48.440 35.110 56.446 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 69.606 44.064 34.930 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 69.025 44.316 34.212 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 69.254 44.519 35.695 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 84.452 5.842 -4.391 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 84.624 6.774 -4.256 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 84.588 5.707 -5.329 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 86.413 92.944 28.253 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 85.610 92.453 28.426 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 86.622 92.748 27.339 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 58.678 51.441 49.184 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 58.664 50.596 48.735 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 59.600 51.696 49.186 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 84.506 47.013 -14.340 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 83.764 47.451 -14.756 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 85.013 46.655 -15.069 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 40.726 28.593 -0.323 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 40.595 27.647 -0.392 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 41.634 28.730 -0.593 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 63.732 65.161 65.752 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 63.967 65.411 66.646 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 63.035 65.770 65.508 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 63.643 24.225 11.749 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 62.969 24.720 11.284 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 63.424 24.332 12.675 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 25.733 29.685 50.151 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 25.526 30.603 49.978 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 26.594 29.706 50.568 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 72.180 90.753 31.893 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 71.283 90.880 31.584 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 72.239 91.287 32.685 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 30.419 24.788 7.271 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 30.406 24.446 6.377 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 30.665 25.708 7.172 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 37.070 9.410 -4.112 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 37.552 9.690 -4.890 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 36.364 8.860 -4.453 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 68.035 91.948 21.539 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 67.173 91.744 21.177 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 68.635 91.366 21.072 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 41.865 76.752 -1.168 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 42.212 77.514 -1.633 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 42.295 76.776 -0.314 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 75.307 35.697 37.751 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 74.633 35.731 37.073 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 75.106 34.905 38.250 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 21.361 60.520 18.177 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 20.467 60.611 18.508 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 21.580 59.601 18.329 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 72.529 35.799 40.316 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 72.387 35.286 39.520 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 73.248 36.391 40.094 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 69.430 25.583 -18.004 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 69.791 25.338 -18.856 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 68.873 26.340 -18.188 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 53.001 92.866 27.373 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 52.714 93.778 27.406 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 53.800 92.847 27.901 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 62.637 85.403 34.841 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 62.088 84.777 35.315 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 62.222 86.251 34.998 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 70.452 81.576 27.613 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 70.829 81.777 26.757 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 71.204 81.343 28.158 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 79.705 48.272 44.826 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 79.830 49.099 45.291 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 78.889 48.391 44.340 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 32.992 77.596 -7.187 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 32.081 77.811 -6.984 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 32.976 77.334 -8.108 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 51.280 70.738 9.837 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 51.028 70.456 10.716 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 52.224 70.890 9.895 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 83.153 18.320 55.978 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 82.271 17.976 56.123 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 83.015 19.140 55.504 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 82.227 71.008 42.424 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 82.527 70.957 41.516 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 82.498 71.877 42.718 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 76.214 46.934 0.430 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 77.150 46.771 0.318 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 76.036 47.698 -0.119 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 52.029 48.300 40.870 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 51.855 47.364 40.768 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 51.202 48.666 41.181 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 67.286 64.569 29.183 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 66.731 63.907 29.596 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 67.246 64.367 28.248 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 67.014 44.808 6.486 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 66.517 44.696 7.297 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 67.193 45.747 6.443 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 88.215 28.618 56.061 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 88.947 28.004 56.109 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 87.516 28.199 56.564 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 26.932 90.330 25.696 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 26.082 90.697 25.451 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 26.786 89.942 26.558 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 90.174 72.883 27.688 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 90.920 72.406 27.322 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 90.029 73.606 27.078 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 37.879 91.250 62.348 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 36.944 91.068 62.256 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 38.277 90.393 62.501 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 47.022 51.366 65.660 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 46.678 51.332 64.767 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 47.111 52.301 65.847 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 78.190 45.681 62.531 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 78.014 46.615 62.643 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 77.602 45.410 61.825 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 22.161 88.248 50.605 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 21.323 88.209 50.144 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 22.673 88.894 50.118 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 82.101 30.572 -3.731 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 82.059 30.709 -2.784 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 82.963 30.182 -3.878 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 65.464 5.475 31.791 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 64.607 5.134 32.048 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 65.289 6.371 31.505 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 72.499 46.899 3.396 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 71.831 46.536 3.978 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 73.031 47.459 3.961 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 59.103 87.806 51.242 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 58.608 87.136 51.713 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 59.716 87.313 50.696 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 58.037 27.003 55.147 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 57.631 26.547 55.884 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 57.305 27.415 54.688 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 45.578 8.934 48.101 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 45.292 8.041 48.296 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 44.874 9.300 47.566 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 88.771 82.430 6.017 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 89.244 82.962 5.377 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 89.183 82.639 6.855 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 78.154 57.645 -8.129 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 77.893 56.823 -8.544 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 77.535 58.292 -8.468 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 64.171 63.402 53.986 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 63.261 63.433 53.691 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 64.507 64.283 53.819 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 22.275 49.500 -15.470 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 21.968 48.759 -14.948 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 22.484 49.121 -16.324 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 56.604 12.516 11.620 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 56.163 13.020 12.304 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 57.481 12.896 11.570 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 32.710 80.785 -4.504 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 32.026 81.444 -4.389 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 32.331 79.981 -4.147 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 69.275 60.958 49.510 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 69.461 60.718 48.602 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 69.305 60.130 49.989 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 33.624 2.143 29.696 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 33.161 2.826 29.212 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 34.551 2.336 29.557 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 37.618 76.768 35.594 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 37.841 75.985 35.091 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 38.422 77.286 35.601 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 85.930 83.797 65.952 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 85.916 83.287 66.762 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 85.012 83.853 65.688 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 31.762 21.243 12.483 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 31.762 21.011 11.554 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 32.686 21.232 12.733 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 52.617 77.491 -3.848 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 52.066 76.712 -3.919 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 52.788 77.748 -4.754 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 53.425 73.628 64.810 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 52.627 73.615 64.282 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 53.256 74.286 65.484 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 59.060 55.783 -6.800 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 58.613 55.852 -5.956 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 58.356 55.653 -7.435 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 56.672 40.732 53.390 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 56.535 39.787 53.327 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 56.607 41.044 52.487 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 63.512 18.919 4.074 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 63.460 17.964 4.125 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 62.966 19.149 3.323 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 88.034 28.882 61.761 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 87.414 29.486 62.168 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 88.514 28.499 62.495 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 77.752 5.581 -13.501 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 76.892 5.640 -13.084 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 78.277 5.059 -12.894 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 79.336 87.898 51.578 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 79.221 86.972 51.794 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 78.792 88.362 52.214 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 23.231 32.560 51.650 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 23.703 32.333 50.848 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 23.632 33.379 51.941 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 22.741 41.254 25.853 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 22.967 40.397 25.490 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 21.920 41.488 25.420 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 78.809 37.301 53.007 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 78.837 37.500 53.943 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 77.877 37.310 52.788 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 32.035 85.979 20.360 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 32.940 85.676 20.284 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 31.520 85.177 20.454 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 43.840 96.244 61.398 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 44.628 96.639 61.772 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 43.382 95.866 62.149 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 88.410 67.520 -2.203 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 88.087 66.936 -1.516 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 88.024 67.177 -3.009 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 68.639 35.008 22.681 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 69.190 34.501 22.083 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 67.770 34.617 22.596 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 65.297 27.454 19.924 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 65.869 27.834 20.591 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 64.414 27.707 20.193 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 86.738 90.478 17.856 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 86.028 90.007 18.290 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 86.773 90.102 16.976 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 72.721 6.016 -12.867 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 73.005 6.727 -12.293 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 72.926 6.323 -13.750 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 32.957 17.207 9.694 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 33.632 17.850 9.908 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 32.697 16.841 10.540 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 56.339 2.487 35.402 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 56.728 2.147 34.597 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 55.479 2.071 35.448 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 40.430 49.349 51.993 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 40.834 49.060 52.812 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 40.522 50.302 52.003 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 28.917 80.232 45.122 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 28.541 79.961 45.959 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 29.625 80.831 45.359 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 48.334 93.166 27.543 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 48.271 92.225 27.708 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 48.185 93.255 26.602 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 55.532 63.774 -14.002 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 54.680 64.192 -13.873 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 55.669 63.259 -13.207 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 50.723 6.223 41.893 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 51.259 5.889 41.174 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 51.336 6.705 42.446 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 31.773 42.610 10.042 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 31.424 41.989 9.403 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 31.029 43.170 10.263 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 84.846 62.013 8.305 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 85.191 61.614 9.103 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 83.973 61.634 8.204 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 59.993 50.586 -19.419 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 60.380 49.793 -19.788 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 60.424 50.691 -18.571 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 49.530 23.740 -5.125 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 48.709 23.276 -4.959 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 49.504 24.492 -4.533 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 70.401 85.384 3.723 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 70.196 84.489 3.451 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 70.895 85.750 2.990 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 65.124 13.353 46.315 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 65.949 13.237 45.845 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 64.460 13.402 45.627 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 60.439 32.749 27.772 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 61.205 32.956 27.236 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 59.715 33.203 27.340 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 71.194 2.782 35.184 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 70.256 2.948 35.085 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 71.289 1.843 35.022 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 59.437 93.452 64.843 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 59.667 92.527 64.926 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 59.114 93.698 65.710 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 51.049 22.274 -8.784 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 51.175 22.035 -9.702 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 50.377 21.668 -8.469 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 54.465 80.823 -3.817 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 55.135 80.140 -3.811 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 54.147 80.855 -2.914 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 48.844 11.941 1.127 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 48.636 12.463 1.902 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 49.399 12.511 0.595 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 21.949 33.353 21.889 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 22.727 33.395 21.333 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 21.538 34.212 21.792 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 42.152 80.550 39.738 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 42.446 81.461 39.726 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 42.161 80.283 38.819 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 74.463 95.081 1.371 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 74.276 95.775 2.004 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 74.358 94.270 1.868 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 81.608 44.991 -12.067 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 82.509 44.727 -12.257 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 81.407 45.652 -12.729 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 81.582 78.000 -0.912 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 80.762 77.569 -1.153 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 81.776 77.674 -0.034 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 63.508 8.430 37.969 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 64.061 9.118 37.599 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 64.112 7.710 38.154 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 32.939 15.524 38.327 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 33.337 14.976 37.650 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 33.648 16.096 38.620 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 22.637 72.070 58.628 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 23.592 72.067 58.696 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 22.335 72.285 59.511 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 28.308 89.348 -19.342 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 27.712 89.387 -20.090 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 27.787 88.958 -18.640 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 52.368 20.021 26.499 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 51.604 20.542 26.253 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 53.115 20.516 26.161 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 23.384 9.298 56.320 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 22.997 10.172 56.358 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 24.207 9.420 55.846 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 61.830 7.926 -18.219 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 61.987 7.083 -18.645 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 62.623 8.088 -17.709 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 32.302 0.904 -1.799 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 32.349 0.894 -0.843 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 31.743 1.653 -2.005 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 48.677 48.625 38.385 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 48.921 49.532 38.199 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 49.483 48.127 38.251 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 32.090 90.149 -9.833 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 32.614 90.803 -9.371 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 31.681 89.635 -9.138 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 90.227 1.870 -12.778 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 89.717 2.646 -13.011 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 89.601 1.148 -12.829 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 24.238 4.878 13.254 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 24.498 4.787 12.337 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 23.426 4.376 13.323 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 71.236 6.417 36.209 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 70.654 6.633 35.481 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 71.395 5.478 36.119 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 43.716 17.375 60.666 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 43.874 17.105 61.570 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 43.073 16.746 60.337 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 63.535 44.211 15.485 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 63.225 45.068 15.778 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 62.828 43.876 14.933 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 20.694 95.006 59.136 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 21.353 95.559 58.716 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 19.898 95.152 58.626 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 50.872 7.880 0.123 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 50.388 8.703 0.049 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 51.745 8.141 0.417 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 89.312 63.257 27.700 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 89.803 62.980 26.926 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 89.965 63.290 28.399 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 23.324 26.942 44.484 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 22.533 27.040 45.015 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 23.130 26.210 43.898 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 81.207 24.998 30.921 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 80.679 25.077 31.715 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 82.112 24.998 31.232 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 33.163 24.431 47.938 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 33.033 25.377 48.015 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 32.307 24.054 48.145 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 64.400 37.190 -11.284 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 65.231 36.918 -11.673 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 64.326 38.119 -11.503 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 74.548 60.365 -11.468 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 74.383 60.888 -12.252 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 74.264 60.923 -10.744 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 55.514 83.185 16.452 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 54.598 82.944 16.594 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 55.528 84.138 16.538 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 69.735 76.104 64.764 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 69.565 76.221 65.699 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 68.886 76.244 64.346 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 29.450 54.333 29.053 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 29.910 54.878 28.414 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 30.038 54.300 29.808 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 59.353 13.628 41.340 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 58.688 14.309 41.438 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 59.501 13.570 40.396 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 45.790 13.734 0.398 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 46.309 13.274 1.058 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 44.926 13.324 0.443 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 60.038 66.305 60.857 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 60.821 66.851 60.927 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 59.922 65.940 61.735 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 75.854 15.454 46.051 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 75.486 14.949 45.326 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 76.526 16.001 45.646 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 69.876 25.225 65.998 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 70.351 24.572 65.484 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 70.180 26.066 65.659 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 75.663 86.767 13.039 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 74.930 86.312 13.454 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 76.246 86.995 13.763 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 77.688 62.035 0.195 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 76.939 61.817 0.750 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 77.298 62.375 -0.611 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 24.394 74.697 -7.203 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 23.874 74.427 -6.446 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 25.258 74.896 -6.842 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 74.192 24.389 22.345 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 74.882 25.043 22.456 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 74.420 23.935 21.534 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 62.028 48.555 9.568 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 61.121 48.452 9.855 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 62.392 49.218 10.156 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 71.585 37.686 37.686 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 71.642 38.185 36.871 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 70.880 37.056 37.532 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 86.300 30.899 13.705 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 85.504 30.406 13.906 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 87.008 30.374 14.079 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 70.538 86.660 17.186 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 70.196 85.896 16.722 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 69.929 86.793 17.912 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 89.398 56.244 40.068 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 89.563 57.093 40.478 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 89.293 55.639 40.802 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 34.152 7.755 24.479 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 34.894 7.183 24.676 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 34.529 8.467 23.962 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 88.234 55.428 -18.297 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 87.910 54.547 -18.109 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 87.967 55.949 -17.540 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 89.028 81.895 -4.063 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 88.957 80.969 -3.833 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 89.656 82.251 -3.434 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 27.645 95.178 11.604 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 27.560 94.534 12.308 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 26.800 95.628 11.588 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 89.963 68.343 7.967 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 89.136 68.679 7.624 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 90.472 69.126 8.176 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 44.735 15.629 34.851 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 45.109 16.328 34.314 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 44.913 14.827 34.360 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 74.171 7.085 -3.337 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 74.723 7.673 -2.823 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 74.649 6.961 -4.157 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 58.755 76.300 26.348 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 58.067 75.712 26.035 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 59.555 75.776 26.307 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 41.331 3.182 55.378 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 42.063 2.938 55.944 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 40.551 2.934 55.875 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 89.321 37.008 12.613 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 89.611 36.531 11.836 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 88.580 36.500 12.944 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 36.059 14.379 -1.699 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 36.801 14.361 -1.094 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 36.139 15.219 -2.150 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 81.062 95.654 40.556 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 81.864 95.132 40.519 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 80.506 95.289 39.868 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 23.612 13.296 62.299 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 24.010 12.480 62.602 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 24.253 13.972 62.518 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 35.254 23.819 -5.903 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 35.831 24.570 -5.760 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 35.698 23.089 -5.472 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 36.046 61.766 -17.935 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 36.832 62.288 -17.775 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 35.383 62.404 -18.196 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 76.280 53.247 29.703 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 75.857 54.100 29.608 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 75.873 52.701 29.031 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 64.801 22.627 -9.377 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 64.469 21.877 -8.883 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 65.719 22.414 -9.547 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 29.210 60.607 35.382 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 30.010 61.036 35.080 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 29.517 59.851 35.883 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 89.629 19.570 6.457 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 89.766 19.211 7.334 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 90.176 20.355 6.431 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 75.649 23.868 11.594 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 75.755 24.472 12.329 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 74.830 24.138 11.178 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 33.895 66.025 35.449 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 34.640 65.623 35.002 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 34.137 66.947 35.536 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 70.474 25.458 49.720 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 69.588 25.815 49.655 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 71.046 26.223 49.656 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 22.492 84.750 -2.246 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 23.317 85.165 -2.498 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 21.849 85.458 -2.271 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 89.747 6.562 10.164 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 90.692 6.644 10.040 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 89.621 5.662 10.464 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 84.391 19.313 -12.825 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 84.667 18.794 -12.070 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 83.826 19.992 -12.457 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 84.085 8.076 66.430 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 84.564 8.531 65.737 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 83.177 8.063 66.124 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 67.526 92.981 41.307 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 67.340 93.819 40.884 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 67.773 92.399 40.589 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 72.098 69.060 10.384 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 71.276 68.645 10.122 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 71.829 69.860 10.836 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 47.137 27.474 3.423 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 46.825 28.378 3.447 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 47.954 27.488 3.922 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 41.910 48.296 -7.713 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 42.045 48.046 -6.799 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 40.978 48.144 -7.868 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 34.216 63.666 52.741 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 34.509 62.855 52.326 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 35.020 64.164 52.889 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 25.847 29.851 64.839 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 26.238 30.236 65.623 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 26.455 30.075 64.134 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 64.744 15.759 19.880 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 64.840 16.285 20.674 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 65.347 16.158 19.253 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 70.931 84.556 53.298 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 70.809 84.683 52.357 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 71.826 84.229 53.382 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 65.932 44.373 25.040 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 65.581 45.140 24.587 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 65.637 44.473 25.945 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 75.585 13.758 7.598 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 75.194 13.540 8.445 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 75.409 12.994 7.049 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 37.271 2.142 -17.442 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 38.212 1.972 -17.412 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 37.142 2.639 -18.250 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 35.480 16.655 38.588 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 36.347 16.250 38.561 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 35.643 17.581 38.409 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 72.785 62.834 9.049 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 73.332 63.600 9.221 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 72.441 62.587 9.907 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 42.164 62.002 4.082 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 43.032 61.734 3.779 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 42.338 62.636 4.777 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 23.705 44.373 6.464 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 24.057 44.070 7.301 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 23.641 45.324 6.561 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 72.655 1.582 40.384 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 72.578 1.992 39.523 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 72.018 2.046 40.928 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 76.803 38.384 28.496 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 77.729 38.619 28.557 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 76.440 39.004 27.863 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 38.938 58.242 39.407 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 39.236 58.660 40.215 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 39.153 58.870 38.718 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 35.386 80.934 36.587 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 34.693 80.381 36.227 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 35.364 80.764 37.529 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 70.887 12.851 -13.208 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 71.118 12.258 -13.923 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 71.088 13.724 -13.546 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 57.134 22.131 34.034 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 57.550 21.909 33.201 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 56.246 22.396 33.795 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 79.112 15.512 -11.524 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 78.684 15.774 -10.709 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 78.454 14.989 -11.982 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 53.839 88.245 4.695 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 54.059 87.405 5.097 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 54.016 88.892 5.379 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 44.312 13.352 14.645 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 43.997 14.227 14.419 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 45.033 13.506 15.256 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 34.887 94.819 26.069 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 34.816 95.324 25.258 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 34.848 95.476 26.764 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 28.740 74.931 45.190 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 28.490 74.598 44.328 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 28.888 74.145 45.717 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 72.343 23.209 60.194 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 71.592 22.976 60.740 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 72.981 23.575 60.807 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 79.407 65.048 44.171 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 79.779 64.198 43.936 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 78.619 65.123 43.633 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 50.766 4.228 6.411 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 49.914 4.391 6.005 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 50.559 3.796 7.239 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 75.701 7.751 1.298 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 75.839 7.004 1.880 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 75.126 7.415 0.610 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 72.807 89.838 37.259 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 71.852 89.805 37.204 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 72.990 90.631 37.763 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 77.833 41.421 31.901 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 77.232 42.100 32.209 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 77.707 41.402 30.952 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 26.609 17.752 -18.699 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 25.892 17.118 -18.688 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 26.929 17.767 -17.797 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 84.069 83.485 7.206 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 84.531 82.716 7.538 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 83.322 83.589 7.795 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 85.847 35.506 44.090 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 86.492 35.885 43.493 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 86.347 35.288 44.876 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 65.506 43.381 13.128 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 65.749 44.015 13.803 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 65.833 42.543 13.456 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 42.139 8.140 65.314 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 42.536 9.008 65.241 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 41.937 7.893 64.411 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 37.016 9.409 -17.749 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 37.140 9.957 -18.524 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 36.144 9.640 -17.429 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 20.974 64.917 13.813 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 21.556 64.852 13.055 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 20.207 64.399 13.571 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 78.616 50.899 11.156 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 77.835 50.763 11.693 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 78.353 51.557 10.512 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 74.521 70.680 53.254 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 73.613 70.388 53.337 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 74.882 70.140 52.551 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 68.185 54.830 32.732 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 67.293 55.156 32.854 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 68.099 54.134 32.080 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 72.701 53.048 28.342 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 72.604 53.279 29.266 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 71.810 52.861 28.047 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 54.149 10.666 65.336 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 54.061 11.070 64.473 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 54.508 9.797 65.159 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 58.599 34.990 56.729 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 58.542 35.062 55.777 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 57.777 34.573 56.988 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 25.739 70.668 32.249 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 25.506 70.386 31.365 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 26.321 71.417 32.117 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 70.297 24.874 58.304 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 70.842 24.654 59.060 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 70.905 24.886 57.565 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 64.812 85.621 -0.941 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 65.398 85.102 -0.390 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 64.512 85.010 -1.614 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 21.189 33.383 17.783 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 21.602 32.573 17.484 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 20.323 33.113 18.087 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 66.009 92.938 51.856 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 66.101 92.221 52.484 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 66.127 92.524 51.001 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 35.527 42.718 -7.352 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 35.317 43.612 -7.084 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 34.686 42.342 -7.614 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 69.692 34.017 -12.453 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 70.431 34.623 -12.509 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 69.882 33.477 -11.686 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 61.933 90.755 45.370 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 62.108 90.906 44.441 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 61.173 90.173 45.379 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 37.687 17.273 0.266 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 36.750 17.469 0.248 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 38.070 17.871 -0.375 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 49.023 49.008 9.252 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 49.821 48.547 8.994 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 49.005 48.941 10.207 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 88.337 31.213 5.459 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 87.612 31.757 5.152 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 88.201 31.143 6.404 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 83.076 93.730 40.334 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 83.637 93.230 40.927 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 82.246 93.254 40.331 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 72.848 3.854 -4.695 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 72.038 3.924 -5.200 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 73.497 4.326 -5.216 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 60.508 26.142 18.845 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 61.060 26.814 19.246 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 59.682 26.192 19.327 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 68.408 27.345 52.679 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 68.101 26.813 51.944 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 67.703 27.292 53.324 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 71.226 24.557 2.955 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 70.284 24.634 3.106 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 71.568 25.436 3.119 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 84.326 51.911 13.168 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 84.002 52.777 13.414 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 84.868 52.068 12.395 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 43.153 23.978 46.215 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 43.959 24.491 46.266 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 42.588 24.476 45.624 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 61.577 17.676 47.396 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 61.512 17.990 46.494 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 62.342 17.100 47.396 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 38.370 43.112 4.682 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 38.445 42.541 3.918 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 38.471 42.525 5.431 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 24.591 47.018 9.462 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 24.540 47.478 10.299 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 25.427 47.295 9.087 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 86.404 52.206 43.683 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 86.349 53.159 43.750 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 85.803 51.883 44.355 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 89.900 40.035 26.774 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 89.109 40.363 27.202 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 89.664 39.976 25.848 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 52.620 83.345 54.122 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 51.894 83.794 53.690 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 52.373 83.322 55.047 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 86.186 0.246 52.245 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 85.383 0.729 52.437 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 86.386 -0.220 53.057 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 66.969 47.816 6.054 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 66.181 48.283 5.776 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 66.777 47.534 6.949 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 68.213 85.533 5.245 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 68.399 84.670 5.613 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 69.016 85.777 4.786 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 60.121 5.417 -16.799 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 59.222 5.327 -16.482 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 60.662 5.074 -16.088 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 31.348 28.194 52.059 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 31.247 27.592 52.797 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 30.753 27.854 51.390 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 39.376 41.015 12.076 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 40.280 40.923 11.775 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 39.448 41.104 13.027 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 49.535 33.225 38.556 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 49.490 33.868 37.848 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 50.470 33.136 38.740 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 79.806 88.281 31.027 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 79.725 87.345 30.843 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 80.048 88.671 30.187 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 26.166 62.215 31.364 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 27.072 62.061 31.633 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 26.224 62.416 30.430 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 25.501 81.124 59.100 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 26.357 81.287 58.703 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 24.893 81.111 58.361 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 56.181 25.711 8.946 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 57.079 25.966 9.158 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 55.785 25.505 9.793 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 29.939 38.260 52.965 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 29.656 38.873 52.287 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 30.867 38.457 53.094 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 42.165 43.330 -8.470 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 41.388 43.783 -8.142 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 41.825 42.532 -8.875 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 59.514 33.010 31.010 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 58.561 32.967 30.934 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 59.830 32.947 30.109 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 43.499 86.963 40.797 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 43.380 87.897 40.972 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 42.638 86.577 40.961 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 27.768 64.908 -15.729 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 27.940 65.221 -16.618 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 28.405 64.205 -15.595 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 81.258 54.188 40.316 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 80.747 54.260 39.510 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 80.814 53.506 40.821 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 72.150 15.530 -2.929 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 72.549 15.201 -2.124 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 71.329 15.932 -2.643 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 63.133 53.759 -14.152 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 63.896 54.322 -14.282 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 63.259 53.381 -13.282 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 74.331 29.051 6.896 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 74.884 29.149 7.671 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 73.454 28.891 7.245 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 76.666 77.989 33.610 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 76.922 78.887 33.401 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 76.554 77.987 34.561 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 44.813 7.413 5.256 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 45.284 8.245 5.216 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 45.316 6.882 5.875 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 39.820 19.863 -0.201 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 40.299 20.442 -0.793 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 40.499 19.447 0.330 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 67.032 87.870 30.539 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 66.847 87.993 31.470 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 66.900 88.735 30.152 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 72.323 36.138 -8.481 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 72.034 35.232 -8.590 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 73.242 36.131 -8.748 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 37.933 8.873 59.860 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 37.779 7.945 60.040 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 37.114 9.304 60.107 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 64.960 17.061 36.945 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 65.192 17.989 36.949 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 64.843 16.846 36.020 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 54.802 21.344 50.559 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 54.867 20.566 50.005 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 53.892 21.628 50.467 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 86.090 4.471 -18.000 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 85.911 5.365 -17.711 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 86.944 4.523 -18.430 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 71.211 69.935 17.524 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 70.399 69.635 17.116 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 71.538 70.616 16.935 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 46.730 53.864 45.499 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 46.844 54.760 45.185 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 45.784 53.718 45.472 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 24.846 65.628 55.617 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 25.011 65.332 54.723 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 25.432 66.376 55.735 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 61.460 6.830 37.380 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 60.626 7.216 37.646 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 62.121 7.455 37.678 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 35.384 66.830 0.549 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 35.517 65.993 0.105 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 35.657 66.669 1.453 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 62.985 37.880 35.106 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 62.593 38.747 35.002 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 62.552 37.339 34.446 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 21.770 16.155 49.121 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 22.640 16.424 48.825 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 21.515 16.825 49.755 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 42.067 93.938 -6.177 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 42.168 93.303 -5.469 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 41.742 93.423 -6.916 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 74.975 71.255 23.117 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 74.535 70.414 23.238 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 74.783 71.744 23.917 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 47.946 46.587 65.830 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 48.027 45.634 65.787 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 48.741 46.876 66.277 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 63.489 64.844 24.580 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 63.168 65.358 25.321 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 62.696 64.518 24.153 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 68.404 63.324 37.412 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 67.657 62.908 36.983 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 69.015 63.515 36.700 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 71.517 8.996 -11.847 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 72.233 8.487 -11.469 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 70.833 8.351 -12.026 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 59.332 83.523 14.159 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 59.491 82.825 13.523 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 58.511 83.924 13.875 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 27.880 85.679 47.901 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 27.327 84.898 47.929 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 27.479 86.279 48.529 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 37.437 8.716 9.339 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 37.550 7.791 9.557 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 37.198 8.717 8.412 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 49.956 33.080 12.484 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 49.378 32.871 13.218 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 49.951 32.291 11.943 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 67.346 28.631 21.661 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 67.416 29.509 22.036 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 68.114 28.550 21.095 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 69.840 89.398 16.165 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 70.421 90.153 16.257 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 70.394 88.643 16.364 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 35.518 27.325 -17.830 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 34.630 26.994 -17.965 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 35.540 28.154 -18.307 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 45.392 61.755 66.237 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 46.154 62.283 66.475 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 45.091 62.129 65.408 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 78.565 43.026 3.922 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 79.078 43.446 4.612 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 77.867 43.651 3.727 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 42.418 29.237 62.214 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 42.273 29.789 61.446 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 42.244 29.812 62.959 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 80.206 1.692 -14.728 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 80.200 1.630 -13.773 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 79.319 1.444 -14.989 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 36.869 17.712 2.961 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 36.269 18.045 2.293 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 37.614 18.311 2.935 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 85.450 46.521 25.560 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 84.861 47.275 25.570 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 84.893 45.778 25.792 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 45.292 65.194 -15.409 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 44.511 65.194 -14.856 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 44.956 65.092 -16.299 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 34.685 24.363 54.292 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 34.904 24.761 53.449 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 34.690 25.093 54.911 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 47.253 75.488 -9.938 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 47.334 74.875 -9.207 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 46.859 74.972 -10.641 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 29.869 44.788 10.209 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 30.395 45.168 10.913 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 28.964 44.984 10.454 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 75.183 33.864 40.788 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 74.515 33.582 41.413 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 75.629 34.589 41.226 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 81.084 64.173 25.632 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 81.594 63.461 26.018 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 81.126 64.015 24.688 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 75.847 15.318 0.780 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 76.381 15.766 1.435 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 75.425 16.024 0.291 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 80.215 50.562 -7.112 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 80.446 50.270 -6.230 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 80.685 51.389 -7.221 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 35.424 56.201 12.374 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 35.920 56.569 13.105 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 35.844 56.563 11.593 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 21.193 7.591 57.522 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 22.071 7.929 57.349 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 20.888 7.267 56.674 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 85.932 69.991 53.165 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 85.414 70.503 53.786 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 86.834 70.271 53.317 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 78.453 46.614 37.652 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 79.388 46.672 37.852 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 78.024 47.060 38.382 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 39.874 37.123 29.122 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 40.265 37.239 29.988 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 40.621 37.000 28.536 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 53.073 46.641 19.470 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 52.641 47.493 19.401 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 52.356 46.007 19.455 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 47.518 7.582 63.368 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 48.222 7.042 63.727 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 46.739 7.314 63.855 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 64.473 54.915 4.184 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 63.929 54.153 4.382 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 64.063 55.634 4.664 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 48.769 43.322 32.837 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 49.063 42.413 32.897 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 48.158 43.329 32.101 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 59.203 25.582 -12.074 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 58.615 25.946 -11.413 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 58.825 24.729 -12.288 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 79.895 53.576 -1.118 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 80.030 54.515 -1.249 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 79.426 53.290 -1.902 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 27.782 85.300 1.549 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 27.898 84.511 1.020 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 28.526 85.295 2.152 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 20.372 74.426 67.193 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 20.202 75.225 66.695 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 21.324 74.323 67.165 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 28.543 35.584 46.554 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 28.178 36.424 46.275 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 29.432 35.792 46.840 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 48.151 59.759 -9.510 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 48.303 59.700 -8.567 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 48.620 60.549 -9.779 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 54.632 85.197 24.324 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 55.415 85.739 24.228 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 54.254 85.468 25.160 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 32.371 95.914 21.101 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 32.858 96.636 20.704 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 31.530 96.299 21.349 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 24.907 15.596 62.089 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 24.281 16.243 62.415 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 25.425 15.355 62.858 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 77.371 48.711 19.536 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 76.940 47.987 19.989 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 76.652 49.268 19.236 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 80.558 41.645 31.968 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 80.931 40.791 31.750 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 79.611 41.506 31.948 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 72.683 38.739 48.051 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 72.666 37.791 47.922 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 73.077 38.857 48.915 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 67.507 60.657 2.987 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 67.728 60.231 3.815 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 68.211 61.291 2.849 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 80.313 28.947 -13.923 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 79.552 29.434 -14.239 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 80.837 28.785 -14.707 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 74.919 57.966 34.349 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 75.700 58.313 33.919 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 74.581 57.309 33.739 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 68.927 35.852 9.741 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 68.746 36.060 10.658 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 68.473 36.534 9.246 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 74.514 38.916 -16.331 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 75.118 38.646 -17.023 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 75.081 39.211 -15.619 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 83.248 14.342 54.257 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 82.306 14.380 54.091 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 83.617 13.960 53.460 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 86.279 24.174 -18.445 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 86.169 24.863 -17.790 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 86.626 23.430 -17.954 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 60.137 24.884 -1.449 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 60.952 24.400 -1.316 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 59.532 24.238 -1.813 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 84.136 7.005 6.777 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 84.392 6.386 6.094 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 84.207 7.865 6.362 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 22.275 96.113 -4.230 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 22.627 95.906 -3.364 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 21.380 95.773 -4.213 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 32.652 33.117 -4.190 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 33.239 32.484 -3.775 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 32.774 33.923 -3.688 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 85.998 24.977 29.494 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 86.627 24.425 29.958 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 85.999 25.803 29.979 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 63.351 49.618 3.831 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 63.472 48.904 4.458 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 64.117 50.177 3.953 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 74.946 55.596 11.481 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 74.738 54.855 10.912 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 74.209 56.197 11.371 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 35.428 80.241 39.472 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 35.253 79.303 39.552 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 36.382 80.303 39.414 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 49.416 77.291 1.938 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 49.860 76.982 2.727 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 48.837 76.571 1.689 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 61.511 41.142 -16.587 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 61.928 40.313 -16.353 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 62.091 41.524 -17.246 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 65.971 21.842 24.004 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 65.306 21.188 24.219 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 65.765 22.108 23.108 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 60.040 21.875 6.306 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 59.858 22.623 5.736 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 60.141 22.257 7.178 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 83.731 1.446 55.826 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 84.487 1.611 55.262 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 84.044 0.806 56.466 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 39.256 1.961 47.902 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 38.719 2.678 48.241 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 39.678 2.325 47.123 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 50.307 19.446 -14.629 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 49.807 19.821 -15.354 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 51.175 19.841 -14.707 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 61.670 83.265 56.191 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 62.318 82.858 55.616 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 62.174 83.880 56.724 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 88.041 76.723 65.953 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 88.911 77.121 65.933 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 87.885 76.442 65.052 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 21.063 62.577 26.001 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 21.915 62.142 25.973 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 20.593 62.231 25.243 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 55.529 74.589 49.399 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 55.539 74.071 48.595 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 56.273 74.263 49.905 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 73.193 73.210 0.257 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 73.175 73.152 -0.698 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 72.695 72.448 0.554 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 85.776 70.744 64.691 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 85.102 71.412 64.817 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 85.517 70.290 63.889 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 29.235 90.019 63.709 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 29.331 89.806 62.781 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 30.133 90.079 64.035 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 86.476 5.473 -8.280 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 86.063 6.243 -7.889 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 86.516 4.834 -7.569 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 51.484 74.195 -10.300 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 51.863 73.348 -10.535 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 50.625 74.199 -10.722 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 89.760 43.397 61.550 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 88.850 43.633 61.732 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 89.779 42.443 61.619 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 87.939 70.576 -10.693 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 88.433 69.997 -10.112 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 87.155 70.805 -10.193 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 26.225 51.429 12.103 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 27.164 51.250 12.150 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 26.167 52.323 11.764 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 40.504 56.752 -3.338 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 40.004 57.562 -3.442 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 41.415 57.013 -3.474 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 85.546 21.313 2.626 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 85.290 22.235 2.602 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 86.204 21.228 1.936 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 88.448 50.066 2.800 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 88.273 50.048 1.858 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 88.379 50.990 3.039 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 57.343 56.535 -14.066 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 56.472 56.502 -14.461 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 57.699 55.656 -14.195 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 38.553 27.406 17.394 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 38.499 28.228 17.881 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 39.200 26.887 17.872 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 25.801 56.143 23.711 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 26.013 55.384 23.168 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 26.610 56.654 23.735 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 26.922 59.728 38.165 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 26.152 59.352 38.592 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 27.621 59.642 38.812 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 21.866 30.262 47.206 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 21.266 30.988 47.377 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 22.722 30.678 47.100 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 73.226 18.634 54.877 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 72.685 19.412 54.746 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 74.126 18.949 54.788 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 82.841 41.476 36.783 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 82.286 41.245 36.038 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 83.017 40.642 37.219 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 39.169 4.788 54.264 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 38.941 4.713 53.337 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 39.886 4.166 54.386 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 81.941 72.198 62.658 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 81.943 71.241 62.666 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 81.060 72.433 62.366 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 35.419 93.743 17.490 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 34.894 94.244 16.866 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 36.146 93.400 16.970 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 22.456 64.129 -7.511 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 22.900 64.528 -8.259 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 21.774 63.582 -7.900 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 48.167 90.523 28.583 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 48.218 90.550 29.539 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 48.427 89.630 28.355 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 31.368 96.603 1.169 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 30.661 96.121 0.739 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 31.991 95.928 1.436 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 72.516 37.317 4.204 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 72.880 37.622 5.035 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 72.115 36.474 4.412 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 73.837 28.776 17.926 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 74.062 29.341 18.665 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 73.783 27.898 18.303 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 53.647 48.405 -12.177 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 53.609 48.152 -13.099 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 52.837 48.893 -12.029 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 72.950 1.775 6.518 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 72.011 1.688 6.356 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 73.346 1.050 6.035 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 58.423 57.632 -10.247 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 58.161 56.927 -9.655 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 59.380 57.594 -10.255 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 51.806 73.465 47.932 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 52.137 73.127 48.764 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 51.980 72.766 47.302 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 83.844 48.113 49.412 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 83.572 47.250 49.098 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 83.861 48.027 50.365 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 39.902 66.233 -0.037 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 40.556 66.871 0.247 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 40.289 65.383 0.172 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 82.241 82.294 -17.443 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 81.427 82.793 -17.376 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 82.932 82.942 -17.309 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 60.326 39.521 44.517 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 60.670 40.379 44.270 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 59.375 39.620 44.470 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 60.772 70.122 58.595 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 61.100 69.292 58.939 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 60.426 69.903 57.730 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 33.993 38.029 32.918 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 33.649 38.916 32.813 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 34.533 38.072 33.707 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 28.892 67.206 16.541 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 29.250 67.053 17.416 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 29.638 67.516 16.028 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 29.606 40.999 40.150 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 29.411 41.935 40.103 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 30.178 40.911 40.912 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 23.775 27.160 21.184 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 22.867 27.292 21.455 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 24.155 28.039 21.179 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 46.210 90.270 65.133 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 47.117 90.233 64.829 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 45.810 90.967 64.613 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 89.598 40.276 0.554 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 89.398 39.340 0.553 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 88.771 40.698 0.786 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 67.507 85.237 -13.901 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 67.310 84.300 -13.887 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 67.028 85.572 -14.658 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 83.263 87.554 -15.717 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 83.422 88.220 -16.387 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 84.137 87.255 -15.465 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 86.938 44.285 5.568 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 87.778 44.114 5.142 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 87.101 44.121 6.497 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 56.295 73.723 -12.600 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 56.699 74.135 -11.836 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 56.759 72.892 -12.698 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 68.967 73.937 -18.956 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 69.627 73.261 -19.111 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 68.336 73.824 -19.667 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 76.586 13.881 48.544 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 77.082 14.638 48.232 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 75.775 14.252 48.891 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 76.041 87.056 43.202 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 76.905 87.079 42.790 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 75.511 87.662 42.684 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 42.667 1.716 50.949 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 42.694 0.894 50.460 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 43.464 1.706 51.479 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 85.341 95.153 43.743 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 84.472 95.248 43.353 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 85.780 94.502 43.195 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 27.170 53.035 51.186 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 27.229 52.733 52.093 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 27.237 52.237 50.663 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 26.387 54.658 0.254 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 27.325 54.522 0.121 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 26.115 53.928 0.809 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 37.018 28.838 35.995 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 37.009 29.071 36.923 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 37.536 29.527 35.579 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 73.455 58.583 36.848 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 72.704 58.089 37.177 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 73.750 58.089 36.083 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 80.729 48.243 54.405 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 79.840 48.464 54.682 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 81.295 48.709 55.021 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 68.065 47.219 16.638 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 67.846 48.077 17.001 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 67.218 46.815 16.450 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 43.090 77.710 32.974 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 43.488 77.150 32.308 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 42.316 77.226 33.263 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 53.829 87.933 -4.375 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 53.335 87.141 -4.588 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 54.220 88.203 -5.206 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 23.414 78.892 26.800 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 24.210 79.370 26.569 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 23.585 77.992 26.523 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 82.166 41.089 1.296 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 82.723 40.510 0.775 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 81.488 41.382 0.687 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 53.133 6.597 2.315 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 54.044 6.594 2.606 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 52.633 6.850 3.092 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 40.906 14.973 -1.347 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 41.671 15.543 -1.272 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 40.776 14.629 -0.463 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 88.691 22.054 2.795 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 89.134 21.286 3.158 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 89.399 22.596 2.446 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 49.270 73.864 61.792 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 48.379 73.639 62.062 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 49.153 74.485 61.073 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 44.271 91.163 -5.265 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 45.090 90.769 -4.963 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 43.586 90.623 -4.872 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 36.635 66.489 -4.030 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 35.966 66.994 -3.568 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 36.320 66.440 -4.932 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 28.358 5.704 -9.616 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 29.248 5.650 -9.269 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 27.927 4.912 -9.294 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 37.197 23.627 16.727 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 37.647 23.336 15.934 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 37.469 24.539 16.836 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 42.788 62.861 57.239 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 43.427 63.545 57.041 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 43.034 62.131 56.671 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 83.234 84.300 21.101 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 82.802 84.283 20.248 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 83.911 84.971 21.015 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 47.956 45.939 -8.464 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 48.292 46.056 -7.575 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 47.891 46.827 -8.815 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 30.218 33.287 -0.020 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 30.202 32.915 -0.902 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 30.314 34.229 -0.159 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 83.218 5.692 -18.269 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 83.716 6.420 -18.641 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 83.774 4.925 -18.408 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 70.041 43.383 59.966 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 70.623 44.032 59.572 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 69.186 43.559 59.575 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 72.804 2.789 3.358 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 71.985 2.954 3.824 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 72.809 3.429 2.647 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 80.750 53.089 22.180 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 79.887 53.217 21.788 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 81.117 52.338 21.714 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 68.693 89.689 63.700 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 68.538 90.612 63.500 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 69.557 89.506 63.330 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 61.639 89.108 29.093 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 61.798 90.045 28.978 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 62.282 88.833 29.746 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 73.082 18.050 9.124 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 73.905 18.539 9.098 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 72.518 18.496 8.492 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 67.951 20.839 31.530 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 68.016 21.612 30.970 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 67.887 20.104 30.920 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 47.626 81.063 38.102 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 48.115 81.448 37.374 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 47.588 80.129 37.898 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 29.579 22.819 57.720 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 29.041 22.117 58.085 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 29.701 23.430 58.446 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 74.002 0.426 3.716 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 73.542 1.253 3.566 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 73.400 -0.089 4.252 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 67.891 31.195 14.899 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 68.022 31.577 14.031 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 67.175 31.705 15.279 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 80.064 33.118 39.411 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 80.132 34.072 39.463 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 80.971 32.812 39.423 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 80.925 29.918 -6.237 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 81.104 29.969 -5.298 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 81.668 30.360 -6.648 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 31.190 19.941 9.980 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 31.921 19.335 10.103 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 31.556 20.655 9.458 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 38.728 25.550 -14.092 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 38.941 26.294 -13.529 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 37.794 25.397 -13.945 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 43.510 10.592 65.120 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 43.747 11.093 64.339 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 44.348 10.354 65.516 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 88.726 95.968 -18.925 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 88.857 96.423 -19.757 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 89.456 96.256 -18.377 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 27.181 34.074 3.102 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 27.945 34.648 3.044 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 26.493 34.626 3.472 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 54.461 87.829 37.905 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 55.144 87.424 37.370 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 53.646 87.435 37.594 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 85.881 41.754 40.329 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 86.096 42.673 40.493 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 85.100 41.592 40.858 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 46.733 3.919 36.645 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 45.898 3.554 36.350 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 46.833 3.596 37.540 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 40.313 20.809 64.579 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 40.626 21.614 64.992 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 39.538 21.077 64.086 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 75.679 78.975 -0.999 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 75.705 79.352 -0.119 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 76.286 79.513 -1.508 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 68.988 81.100 47.106 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 68.627 81.677 47.779 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 69.642 80.574 47.566 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 33.184 53.579 37.966 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 32.977 54.083 37.179 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 32.450 52.972 38.062 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 75.529 73.221 21.077 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 75.621 73.783 21.846 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 75.092 72.435 21.406 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 45.245 6.998 26.571 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 44.931 6.280 27.121 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 45.525 7.671 27.191 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 27.527 3.533 -14.365 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 28.143 2.849 -14.629 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 28.067 4.178 -13.907 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 61.254 1.820 -17.076 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 62.093 1.445 -16.809 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 61.485 2.642 -17.509 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 22.661 91.344 3.566 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 23.207 91.891 4.132 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 21.903 91.123 4.107 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 35.073 79.101 -5.641 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 34.543 78.623 -6.280 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 34.491 79.224 -4.891 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 76.860 9.742 -5.363 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 76.087 9.891 -5.908 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 76.822 8.812 -5.141 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 72.111 89.845 62.808 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 71.489 90.493 62.479 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 72.967 90.265 62.716 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 40.599 33.898 7.106 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 39.721 33.521 7.058 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 40.451 34.834 7.241 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 39.959 20.403 -15.448 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 39.208 19.839 -15.265 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 39.852 21.145 -14.853 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 89.982 66.279 24.957 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 90.532 65.894 25.639 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 89.451 65.550 24.635 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 35.117 84.949 7.710 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 35.061 84.465 6.887 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 36.008 85.300 7.721 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 39.232 78.102 61.090 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 38.849 78.660 60.414 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 38.743 77.281 61.029 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 65.982 50.546 4.308 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 66.889 50.260 4.196 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 65.817 50.456 5.247 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 27.831 64.272 22.805 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 27.552 63.730 23.542 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 28.779 64.353 22.911 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 65.889 37.942 62.593 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 66.592 37.487 63.057 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 65.520 38.541 63.243 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 33.234 91.732 24.224 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 33.658 91.088 23.657 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 32.989 92.446 23.634 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 48.749 37.595 38.549 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 48.994 37.928 37.686 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 49.036 38.274 39.159 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 60.473 95.032 15.712 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 59.537 94.969 15.521 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 60.790 94.130 15.661 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 27.643 73.773 59.372 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 27.858 74.699 59.259 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 27.457 73.682 60.306 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 32.336 71.631 31.566 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 33.173 71.363 31.945 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 32.107 70.923 30.964 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 22.985 16.700 -16.422 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 23.691 16.477 -17.030 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 22.859 17.642 -16.535 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 20.762 38.691 3.492 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 21.185 37.907 3.843 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 20.845 38.604 2.543 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 57.611 10.797 0.857 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 57.925 10.203 1.539 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 56.933 11.319 1.286 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 52.725 10.905 57.955 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 53.466 11.509 57.998 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 52.024 11.350 58.431 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 47.721 16.471 16.745 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 47.080 16.588 16.043 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 48.097 17.341 16.874 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 24.413 76.360 16.387 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 24.260 75.564 16.896 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 23.811 76.291 15.646 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 29.633 55.305 44.654 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 30.151 55.389 45.455 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 28.796 55.719 44.866 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 48.777 70.093 31.025 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 49.316 69.447 31.482 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 48.528 70.721 31.703 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 84.685 46.568 15.451 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 83.950 46.705 14.853 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 84.355 45.945 16.098 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 27.693 7.563 -2.640 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 28.482 7.625 -2.102 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 27.896 6.889 -3.288 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 31.709 90.537 28.164 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 32.026 89.846 27.583 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 32.090 91.341 27.810 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 62.471 41.083 6.310 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 62.356 41.901 6.794 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 62.507 40.407 6.987 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 42.472 21.740 -0.604 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 43.381 21.525 -0.817 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 42.495 21.991 0.319 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 89.312 30.812 36.165 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 89.787 29.981 36.186 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 88.634 30.717 36.835 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 39.123 58.861 -4.831 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 38.762 59.542 -4.264 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 38.387 58.593 -5.382 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 60.570 29.456 -2.527 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 60.426 28.577 -2.877 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 61.513 29.502 -2.372 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 45.453 71.587 -3.807 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 45.069 71.728 -2.942 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 45.353 70.648 -3.964 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 59.831 69.236 62.988 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 59.968 69.663 63.833 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 60.665 68.805 62.798 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 60.122 61.259 62.469 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 59.558 60.976 61.750 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 59.694 60.925 63.257 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 81.466 30.981 -12.450 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 80.950 30.864 -11.652 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 81.177 30.274 -13.028 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 76.563 43.191 -5.678 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 76.846 43.475 -4.809 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 75.905 43.836 -5.939 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 78.477 50.195 50.308 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 79.324 50.608 50.143 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 78.235 50.487 51.187 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 53.650 17.204 23.628 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 54.058 17.519 22.822 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 52.955 17.837 23.809 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 31.676 21.769 28.004 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 32.481 21.266 28.127 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 31.684 22.013 27.078 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 88.161 5.941 1.382 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 88.985 6.141 0.938 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 88.282 6.272 2.272 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 74.738 87.397 59.188 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 73.890 87.067 59.486 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 74.898 86.938 58.364 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 47.279 69.234 -5.374 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 47.621 69.889 -5.982 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 47.957 68.559 -5.341 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 58.341 71.480 59.113 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 59.044 70.938 58.756 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 58.153 71.095 59.969 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 49.432 19.358 20.607 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 49.656 19.957 19.895 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 49.343 19.921 21.375 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 65.963 50.325 36.471 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 65.814 51.226 36.187 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 65.188 49.848 36.176 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 37.411 44.931 28.437 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 38.046 45.028 27.727 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 37.876 45.234 29.217 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 34.646 3.087 46.736 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 34.710 2.238 46.298 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 34.045 3.594 46.189 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 81.549 21.755 64.586 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 81.712 22.646 64.895 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 82.201 21.616 63.899 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 61.026 30.522 14.216 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 60.931 31.408 13.866 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 60.129 30.229 14.375 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 53.074 77.411 38.169 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 52.968 77.453 37.218 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 53.751 76.748 38.306 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 33.734 86.858 13.499 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 33.936 86.648 14.411 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 34.575 87.117 13.121 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 36.599 69.610 17.313 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 36.568 68.698 17.024 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 37.039 70.073 16.601 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 46.839 43.223 37.171 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 46.526 44.071 37.485 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 46.513 43.165 36.273 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 29.059 38.191 -1.897 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 28.855 38.698 -2.683 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 29.780 38.667 -1.485 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 58.993 26.447 30.378 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 59.169 25.512 30.277 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 59.282 26.836 29.553 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 89.330 38.473 -16.670 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 90.241 38.762 -16.717 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 88.853 39.093 -17.221 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 88.779 29.333 -15.658 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 88.401 29.719 -14.868 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 88.030 29.184 -16.235 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 61.909 5.092 30.623 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 61.084 4.994 30.147 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 62.258 5.933 30.327 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 58.222 89.169 66.922 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 59.017 88.640 66.991 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 58.106 89.305 65.982 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 67.260 81.408 42.181 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 67.855 80.660 42.149 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 66.498 81.089 42.665 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 66.727 25.680 -10.209 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 66.752 24.822 -10.632 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 66.178 25.550 -9.436 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 81.127 65.537 27.943 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 80.270 65.181 28.177 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 81.197 65.392 26.999 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 33.762 71.216 -10.988 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 34.674 71.155 -11.273 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 33.641 70.463 -10.410 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 80.976 49.071 23.977 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 80.581 48.201 23.911 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 80.302 49.610 24.392 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 78.773 83.081 34.188 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 78.172 83.668 33.729 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 78.517 83.147 35.108 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 45.700 84.276 26.000 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 45.045 84.406 26.686 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 45.189 84.119 25.206 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 34.977 43.969 28.554 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 34.920 43.327 27.846 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 35.858 44.336 28.475 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 79.783 46.771 67.338 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 79.029 46.456 66.840 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 79.987 47.623 66.952 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 23.940 65.528 16.793 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 24.530 64.833 16.500 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 24.494 66.109 17.313 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 55.785 4.450 62.871 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 54.954 4.523 63.339 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 56.453 4.582 63.544 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 62.547 35.799 51.884 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 62.621 35.609 52.819 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 61.686 36.207 51.789 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 31.340 48.629 -14.613 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 30.562 48.075 -14.688 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 31.491 48.704 -13.671 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 51.489 88.865 22.524 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 51.299 89.052 23.444 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 52.279 88.324 22.548 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 64.558 77.962 39.635 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 63.686 77.580 39.527 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 64.674 78.516 38.863 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 59.738 71.952 -13.420 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 60.141 72.497 -12.745 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 59.042 71.479 -12.964 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 50.596 31.743 -2.757 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 51.156 32.144 -2.092 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 50.091 32.472 -3.118 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 34.445 35.383 30.492 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 33.550 35.197 30.210 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 34.650 36.231 30.099 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 72.536 41.140 7.407 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 73.175 41.270 8.107 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 71.805 40.689 7.830 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 33.252 61.248 21.457 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 34.063 60.931 21.059 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 33.409 61.191 22.399 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 72.789 21.349 11.048 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 72.069 21.432 10.423 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 73.559 21.654 10.569 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 56.048 23.069 -14.566 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 56.090 23.938 -14.169 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 56.536 23.155 -15.385 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 28.014 37.305 -19.250 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 28.784 37.746 -18.892 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 27.741 36.700 -18.560 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 81.238 34.837 46.358 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 81.821 35.207 45.695 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 81.770 34.805 47.153 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 64.434 35.992 32.861 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 63.583 36.316 32.568 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 65.031 36.728 32.726 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 57.961 53.991 56.497 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 57.330 53.975 57.216 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 57.717 54.758 55.980 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 34.845 60.981 -14.969 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 35.774 61.183 -15.072 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 34.827 60.230 -14.375 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 43.832 44.914 29.558 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 44.202 44.142 29.128 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 43.996 45.631 28.946 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 77.478 17.257 65.775 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 78.035 18.002 66.000 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 78.092 16.569 65.516 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 84.405 58.777 34.724 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 83.876 59.453 34.299 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 84.913 59.250 35.383 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 68.531 80.554 5.594 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 68.404 79.769 5.060 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 67.666 80.737 5.960 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 69.668 42.767 24.308 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 69.008 43.129 23.718 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 69.351 42.984 25.185 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 76.333 45.912 26.081 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 76.465 46.810 26.384 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 75.893 46.006 25.236 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 40.483 13.323 63.808 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 40.211 14.127 63.366 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 41.022 13.623 64.541 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 74.364 81.549 31.582 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 74.330 82.102 32.363 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 74.193 80.665 31.907 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 60.427 27.298 32.769 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 60.039 26.911 31.984 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 60.948 28.031 32.443 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 63.109 22.573 14.318 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 62.586 21.818 14.047 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 62.504 23.116 14.823 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 65.590 96.457 64.719 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 64.851 96.309 64.130 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 65.229 96.324 65.596 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 70.338 43.653 41.774 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 70.996 42.963 41.689 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 70.685 44.381 41.258 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 31.599 87.134 -5.065 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 31.066 86.617 -5.668 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 32.171 86.495 -4.640 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 26.007 20.274 39.519 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 25.680 20.740 40.288 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 26.826 19.874 39.811 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 81.733 38.449 -16.592 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 80.856 38.103 -16.759 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 81.583 39.343 -16.284 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 46.541 45.278 12.679 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 46.498 44.337 12.846 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 46.595 45.674 13.548 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 30.223 73.622 11.382 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 30.892 73.312 11.992 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 29.515 72.982 11.454 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 63.184 6.313 24.643 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 62.515 6.340 25.326 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 62.876 5.644 24.031 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 22.031 70.768 27.360 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 21.711 69.934 27.017 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 22.879 70.893 26.935 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 34.390 73.978 22.230 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 34.499 74.180 21.301 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 33.446 73.858 22.340 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 85.490 62.212 43.964 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 85.221 62.082 43.054 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 86.427 62.397 43.913 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 45.591 95.828 59.381 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 45.980 94.969 59.546 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 44.918 95.921 60.056 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 77.012 41.848 56.878 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 76.192 41.411 56.650 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 76.832 42.780 56.749 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 25.366 87.714 33.800 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 25.714 86.854 33.565 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 24.982 88.048 32.990 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 82.158 43.471 41.744 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 81.833 43.567 42.639 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 82.642 44.279 41.575 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 49.276 37.198 -15.219 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 48.919 37.067 -14.341 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 48.755 36.622 -15.779 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 69.562 16.476 -6.884 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 69.584 16.951 -7.715 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 70.389 16.701 -6.458 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 63.843 67.065 -4.324 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 63.129 66.429 -4.274 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 64.618 66.579 -4.044 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 72.150 81.074 29.745 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 72.388 80.159 29.897 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 72.868 81.576 30.131 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 67.171 42.838 20.965 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 67.286 43.621 21.503 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 66.833 43.166 20.132 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 67.827 25.443 4.523 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 68.148 26.203 4.036 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 67.047 25.761 4.977 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 33.934 22.434 57.362 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 33.239 22.913 56.912 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 34.613 23.089 57.523 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 32.692 38.185 52.847 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 33.014 37.496 52.265 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 32.437 37.724 53.646 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 34.359 5.809 51.111 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 34.144 6.445 50.429 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 34.367 4.965 50.659 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 21.315 28.276 38.219 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 22.187 28.315 37.826 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 20.716 28.256 37.473 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 83.452 30.210 41.426 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 83.442 29.254 41.464 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 83.429 30.487 42.342 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 51.225 89.727 35.954 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 51.010 88.953 35.434 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 51.319 89.399 36.848 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 32.562 23.042 42.133 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 33.404 22.822 41.735 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 32.667 22.818 43.058 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 46.727 87.925 27.064 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 46.826 88.874 27.139 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 47.517 87.569 27.471 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 53.404 15.093 -6.653 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 53.316 15.384 -5.746 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 53.991 14.338 -6.607 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 29.760 63.432 60.232 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 30.355 63.049 59.588 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 28.956 62.920 60.151 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 84.952 33.611 0.487 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 85.804 33.197 0.618 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 84.318 32.945 0.751 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 68.947 33.272 5.921 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 68.222 33.870 5.742 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 69.714 33.707 5.547 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 42.244 73.958 19.090 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 42.200 73.751 18.156 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 43.054 73.546 19.389 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 55.742 38.250 50.323 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 55.416 39.149 50.357 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 55.330 37.874 49.546 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 63.654 43.409 -11.453 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 62.975 43.999 -11.781 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 63.489 42.580 -11.902 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 77.186 23.888 63.807 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 76.801 24.645 64.248 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 78.018 23.745 64.258 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 36.020 30.972 63.522 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 35.192 30.833 63.063 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 36.231 30.119 63.902 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 26.336 95.767 15.063 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 27.230 95.895 15.379 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 25.886 96.585 15.276 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 86.358 13.710 65.618 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 85.937 12.924 65.966 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 87.244 13.688 65.980 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 26.956 26.062 6.365 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 26.704 25.572 7.148 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 26.822 26.979 6.604 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 89.897 39.850 9.170 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 89.258 39.363 9.690 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 90.477 40.251 9.818 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 71.876 33.424 33.903 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 71.417 32.744 33.410 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 71.281 34.174 33.889 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 22.443 74.299 42.419 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 22.729 74.714 41.606 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 22.763 73.400 42.356 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 82.863 31.881 65.051 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 82.656 31.318 65.797 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 82.307 32.651 65.169 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 65.285 40.242 31.536 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 64.843 40.537 30.740 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 64.669 39.631 31.941 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 61.190 6.585 -13.069 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 60.866 7.015 -12.278 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 61.046 7.225 -13.766 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 52.768 42.934 -3.083 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 53.078 43.752 -3.471 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 52.503 43.174 -2.195 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 75.603 64.296 18.592 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 75.089 63.543 18.300 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 76.507 64.070 18.370 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 79.327 91.275 -12.894 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 80.075 91.651 -13.359 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 79.708 90.597 -12.336 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 85.982 56.313 50.741 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 86.090 56.188 49.798 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 86.586 55.685 51.138 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 36.189 75.126 60.128 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 36.439 75.156 61.052 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 37.021 75.146 59.654 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 66.529 8.028 34.408 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 67.273 7.990 35.009 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 66.480 8.946 34.143 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 37.521 28.190 42.341 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 37.539 28.262 41.387 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 36.629 28.440 42.584 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 38.473 79.960 38.573 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 38.695 80.203 37.674 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 39.257 79.524 38.905 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 77.749 41.654 -9.401 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 78.160 41.787 -8.546 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 78.408 41.187 -9.914 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 82.693 18.240 37.952 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 83.566 18.630 37.919 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 82.095 18.986 37.923 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 89.698 13.000 8.276 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 90.236 12.672 7.556 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 90.233 13.679 8.686 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 60.681 63.905 38.268 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 60.827 63.400 37.467 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 59.735 63.864 38.408 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 38.705 15.853 11.305 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 38.662 14.908 11.157 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 39.611 16.087 11.101 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 31.898 87.872 54.414 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 32.148 88.632 53.888 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 31.747 88.225 55.290 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 73.534 47.281 -13.924 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 74.351 47.309 -13.427 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 72.848 47.248 -13.257 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 46.217 32.259 58.890 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 45.663 32.949 59.252 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 45.613 31.542 58.697 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 63.123 80.372 -2.163 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 62.559 79.600 -2.218 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 63.834 80.108 -1.579 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 70.685 74.900 44.205 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 71.418 74.338 44.459 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 71.090 75.617 43.717 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 64.287 43.586 41.591 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 64.271 43.112 40.759 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 64.369 44.506 41.341 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 75.636 18.977 8.849 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 75.750 18.066 8.577 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 75.769 18.963 9.797 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 82.233 27.419 39.410 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 81.930 26.844 38.707 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 82.992 27.871 39.040 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 29.593 24.500 20.721 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 29.986 24.999 20.005 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 28.657 24.492 20.523 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 59.103 32.206 16.102 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 58.328 31.849 16.535 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 59.238 31.637 15.344 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 64.033 56.773 -5.605 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 63.369 56.090 -5.514 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 64.396 56.874 -4.725 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 26.187 34.448 -14.921 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 25.703 35.024 -14.330 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 26.731 33.913 -14.343 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 46.586 11.932 40.280 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 47.163 11.183 40.130 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 46.880 12.592 39.653 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 60.832 43.997 -19.270 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 61.209 44.415 -20.045 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 59.886 44.081 -19.389 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 60.043 13.426 31.566 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 59.325 12.881 31.888 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 60.183 13.132 30.666 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 70.692 23.661 20.577 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 71.031 23.114 19.868 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 70.420 24.471 20.146 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 67.401 31.430 63.963 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 68.193 31.919 64.183 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 66.688 31.943 64.344 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 65.811 16.623 -6.516 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 65.485 16.700 -5.619 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 66.037 17.519 -6.766 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 34.866 46.783 -17.496 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 34.573 47.598 -17.089 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 35.581 47.046 -18.074 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 30.124 28.037 18.755 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 30.607 28.808 18.458 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 29.541 27.823 18.026 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 66.845 73.384 66.458 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 66.810 73.033 65.568 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 65.945 73.317 66.778 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 36.556 6.047 -5.491 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 35.742 6.105 -4.991 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 36.274 5.976 -6.403 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 71.660 49.875 2.563 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 71.706 48.927 2.688 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 71.021 50.172 3.211 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 34.646 59.499 64.321 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 34.073 59.215 63.609 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 34.345 59.005 65.084 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 79.037 27.209 -3.557 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 79.048 27.807 -4.305 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 79.345 26.375 -3.912 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 75.747 60.000 64.132 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 75.108 59.311 64.314 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 75.635 60.191 63.200 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 26.371 14.406 11.842 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 27.128 14.840 11.451 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 25.753 15.115 12.021 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 45.392 22.996 -9.894 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 45.376 22.298 -10.549 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 46.026 22.698 -9.242 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 86.335 58.523 52.179 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 85.483 58.688 52.584 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 86.232 57.681 51.736 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 67.954 29.912 37.179 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 68.336 29.775 36.312 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 68.708 30.041 37.756 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 43.407 92.507 40.495 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 43.808 92.691 39.646 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 42.609 93.036 40.503 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 88.961 64.107 64.811 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 89.369 63.244 64.742 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 88.803 64.225 65.747 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 32.384 29.189 8.770 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 31.744 29.888 8.638 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 33.106 29.609 9.238 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 60.207 48.673 -10.460 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 60.866 49.063 -9.885 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 60.409 47.737 -10.455 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 34.984 94.798 44.263 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 35.316 93.957 43.948 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 34.071 94.818 43.978 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 74.273 39.555 50.768 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 73.892 40.171 51.394 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 74.525 38.799 51.298 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 32.141 8.447 -13.492 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 31.749 9.186 -13.957 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 33.067 8.676 -13.413 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 78.370 76.025 40.948 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 77.717 76.074 40.250 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 79.098 75.539 40.562 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 85.850 37.854 19.892 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 85.940 38.498 19.189 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 86.228 37.051 19.532 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 21.078 45.906 -1.298 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 20.329 46.485 -1.439 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 21.435 46.178 -0.452 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 53.984 39.358 43.187 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 53.357 39.076 42.521 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 54.828 39.034 42.873 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 23.668 6.478 -5.551 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 22.746 6.574 -5.313 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 24.106 7.210 -5.116 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 52.208 95.700 4.780 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 52.433 95.789 5.707 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 51.477 95.082 4.769 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 85.534 71.248 -9.581 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 85.667 71.512 -8.670 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 85.097 71.997 -9.986 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 71.662 5.732 -2.885 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 72.228 6.389 -3.291 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 71.999 4.895 -3.203 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 72.489 62.772 11.969 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 73.346 62.429 11.718 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 72.048 62.033 12.388 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 67.293 30.725 24.388 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 68.070 30.598 24.932 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 67.630 31.092 23.571 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 39.844 62.439 6.354 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 40.684 62.710 6.725 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 39.516 61.778 6.964 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 23.507 41.432 -2.346 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 22.691 41.753 -2.731 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 23.353 41.456 -1.402 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 76.547 87.348 0.638 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 76.548 87.110 1.565 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 75.634 87.251 0.367 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 42.371 82.953 56.227 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 42.609 83.203 55.334 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 42.451 83.762 56.732 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 59.954 46.681 -7.349 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 60.554 47.356 -7.032 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 60.352 45.856 -7.073 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 76.278 91.984 -2.397 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 76.240 92.649 -1.709 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 75.362 91.771 -2.575 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 37.929 58.715 28.588 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 38.061 58.568 29.525 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 38.103 59.648 28.464 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 75.579 56.058 7.084 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 74.943 56.758 6.934 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 75.123 55.436 7.650 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 56.476 49.567 38.419 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 55.846 50.288 38.409 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 57.044 49.734 37.667 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 59.478 52.322 24.471 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 59.345 52.955 23.766 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 58.617 51.925 24.603 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 90.367 48.522 66.339 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 90.280 48.772 65.420 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 89.524 48.750 66.732 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 83.256 50.431 -18.957 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 83.686 50.774 -19.740 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 82.575 51.073 -18.756 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 85.832 43.879 13.822 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 85.170 44.128 14.467 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 85.467 43.108 13.389 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 77.902 53.151 10.277 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 77.387 53.402 9.510 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 77.844 53.906 10.862 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 56.455 13.478 6.209 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 55.808 13.005 5.685 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 56.044 13.573 7.069 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 68.920 53.509 4.143 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 68.504 53.991 3.428 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 69.582 54.110 4.484 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 78.277 51.777 -10.075 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 77.544 51.315 -9.669 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 78.651 52.302 -9.368 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 39.884 39.246 34.849 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 39.550 39.763 34.116 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 39.404 39.571 35.610 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 76.418 57.861 49.769 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 76.390 58.323 48.930 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 76.686 58.529 50.401 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 82.630 31.864 57.286 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 82.504 31.517 56.402 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 82.961 32.752 57.151 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 64.586 14.449 -9.904 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 65.103 14.290 -10.693 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 64.214 15.322 -10.033 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 41.155 62.601 12.647 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 41.212 62.724 13.594 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 42.060 62.460 12.369 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 61.238 19.141 16.821 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 60.974 20.014 16.531 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 62.046 19.286 17.313 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 36.903 63.476 28.792 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 37.337 63.428 27.940 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 37.354 62.824 29.328 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 57.170 50.148 -11.944 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 57.159 49.195 -12.029 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 58.069 50.398 -12.160 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 24.220 29.647 -0.071 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 24.019 29.705 0.863 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 23.399 29.366 -0.476 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 64.851 29.672 29.505 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 65.409 28.896 29.566 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 64.346 29.542 28.703 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 83.919 39.267 33.248 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 83.828 38.764 34.056 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 83.031 39.317 32.894 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 78.072 26.480 -8.935 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 77.241 26.652 -8.492 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 78.089 27.102 -9.663 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 82.539 87.834 5.913 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 81.704 88.300 5.889 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 82.684 87.648 6.840 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 63.215 9.299 5.083 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 63.185 10.239 4.906 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 64.041 9.169 5.549 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 42.526 88.778 19.682 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 42.869 87.885 19.699 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 41.936 88.823 20.434 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 43.819 26.716 1.056 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 44.091 27.630 0.974 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 43.922 26.355 0.176 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 62.737 52.829 32.227 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 62.094 52.372 32.770 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 62.227 53.182 31.498 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 24.826 63.504 38.322 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 24.095 64.114 38.227 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 25.169 63.400 37.435 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 62.584 42.945 -8.940 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 62.829 43.390 -9.751 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 63.146 43.336 -8.272 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 39.304 63.970 -14.403 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 40.066 64.470 -14.111 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 38.909 64.512 -15.087 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 56.095 29.200 34.324 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 56.169 29.497 33.417 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 55.470 29.805 34.725 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 65.891 38.276 58.585 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 66.585 38.517 59.198 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 65.180 37.955 59.140 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 82.142 96.507 -9.262 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 82.353 95.817 -8.632 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 81.194 96.445 -9.377 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 62.086 1.072 15.182 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 62.152 1.387 16.084 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 61.553 0.280 15.243 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 84.825 36.213 -12.573 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 84.976 37.148 -12.435 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 84.199 36.176 -13.297 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 24.167 44.175 9.638 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 24.036 45.120 9.712 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 24.077 43.849 10.534 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 27.889 28.831 -11.165 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 26.935 28.765 -11.219 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 28.047 29.635 -10.671 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 28.936 81.391 37.721 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 28.590 80.560 38.048 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 28.690 82.032 38.388 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 50.015 42.548 29.512 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 50.348 43.417 29.286 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 50.164 42.022 28.726 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 88.255 46.793 21.870 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 87.773 46.290 22.526 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 88.652 46.132 21.304 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 81.280 25.609 49.496 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 82.147 26.003 49.396 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 80.690 26.211 49.043 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 56.171 46.936 39.427 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 55.573 46.731 38.708 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 56.563 47.774 39.181 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 85.173 8.290 62.190 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 85.103 8.559 61.274 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 84.639 8.925 62.668 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 25.717 77.686 24.000 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 25.244 77.185 24.665 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 25.048 78.239 23.596 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 57.131 18.711 54.655 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 56.200 18.509 54.751 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 57.227 19.586 55.031 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 43.624 84.591 53.304 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 43.583 84.339 52.382 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 44.489 84.301 53.594 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 40.880 53.887 63.007 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 40.448 53.543 62.225 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 40.258 54.521 63.365 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 43.748 47.875 57.354 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 43.113 47.524 57.979 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 44.390 48.331 57.897 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 54.711 7.882 -5.746 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 54.795 7.729 -6.687 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 54.642 8.833 -5.662 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 39.113 2.108 40.636 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 39.757 2.674 41.061 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 38.643 2.687 40.036 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 41.098 56.330 51.570 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 41.354 56.373 52.491 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 41.842 56.702 51.097 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 23.849 59.728 -4.795 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 24.566 59.596 -4.175 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 23.502 60.594 -4.580 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 34.124 17.817 -11.080 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 34.508 17.429 -11.866 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 33.181 17.806 -11.242 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 23.226 45.390 30.274 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 22.952 44.668 30.839 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 22.566 46.069 30.415 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 21.500 49.377 44.285 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 21.120 49.101 43.451 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 22.445 49.370 44.132 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 73.914 84.180 52.035 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 73.773 83.289 52.353 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 73.631 84.156 51.121 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 85.727 72.786 19.037 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 85.722 72.169 18.305 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 85.732 72.231 19.818 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 41.206 50.964 65.514 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 42.150 50.831 65.420 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 40.876 50.989 64.616 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 90.005 26.810 -7.217 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 89.392 26.709 -6.489 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 90.343 27.700 -7.125 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 46.503 35.848 44.447 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 46.615 36.773 44.667 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 46.348 35.843 43.503 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 33.667 34.031 44.363 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 33.305 33.421 45.006 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 33.328 33.723 43.523 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 80.151 65.875 33.048 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 79.693 65.612 32.249 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 79.589 66.545 33.437 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 67.529 70.555 3.999 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 67.760 70.697 3.081 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 67.521 71.432 4.383 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 52.654 72.029 -13.086 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 51.986 71.630 -12.528 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 53.363 71.386 -13.108 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 28.638 65.559 56.059 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 29.053 65.467 56.916 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 28.073 64.790 55.983 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 31.014 75.434 -16.491 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 30.555 74.602 -16.373 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 31.853 75.192 -16.882 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 67.205 63.692 13.039 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 67.433 63.921 13.940 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 66.551 62.999 13.125 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 81.219 48.377 15.347 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 80.393 48.778 15.076 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 81.867 49.075 15.251 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 71.297 78.006 3.157 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 70.447 78.441 3.229 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 71.083 77.083 3.020 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 26.969 40.696 64.009 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 27.085 41.514 64.490 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 27.787 40.583 63.525 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 30.882 51.406 65.083 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 31.753 51.738 64.864 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 30.637 51.882 65.877 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 86.575 47.450 30.774 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 87.337 47.574 30.208 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 86.174 46.638 30.462 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 56.809 47.542 51.911 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 57.547 47.747 52.485 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 57.205 47.096 51.162 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 62.944 36.837 -4.726 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 63.384 36.522 -3.936 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 62.025 36.922 -4.472 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 63.512 46.703 8.386 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 63.320 47.571 8.740 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 63.011 46.102 8.937 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 70.565 42.635 62.812 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 71.137 42.954 63.510 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 70.864 43.096 62.028 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 41.644 18.241 32.652 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 41.600 19.007 32.079 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 40.893 17.705 32.395 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 39.948 74.200 10.546 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 40.323 74.739 11.242 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 39.078 74.571 10.397 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 52.567 15.854 52.434 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 53.335 15.751 51.872 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 51.995 16.452 51.954 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 86.765 40.253 43.773 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 86.052 40.809 44.088 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 87.562 40.732 44.002 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 49.323 72.662 -3.624 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 49.758 71.952 -3.152 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 49.957 73.380 -3.616 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 23.564 82.699 41.513 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 22.814 83.253 41.296 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 23.984 82.523 40.671 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 38.931 0.930 20.826 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 39.382 0.089 20.894 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 38.721 1.164 21.730 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 60.778 37.380 65.710 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 60.237 37.345 66.499 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 61.581 36.917 65.949 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 47.279 24.763 3.080 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 47.283 24.342 3.939 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 47.305 25.700 3.271 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 59.563 66.070 24.620 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 60.163 66.067 23.874 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 58.834 65.513 24.344 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 60.626 84.316 18.066 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 61.231 84.803 18.627 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 59.828 84.235 18.587 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 70.633 51.159 64.734 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 70.144 51.451 65.503 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 70.445 51.818 64.065 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 21.743 68.522 41.551 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 22.078 68.326 42.426 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 21.492 67.670 41.193 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 65.805 24.998 9.481 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 65.036 25.535 9.669 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 65.590 24.548 8.664 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 68.778 47.269 -19.251 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 69.609 47.573 -18.888 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 68.211 48.040 -19.233 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 75.115 90.028 11.228 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 75.662 89.824 10.470 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 75.723 90.389 11.873 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 51.427 41.574 21.508 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 51.983 42.350 21.431 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 50.814 41.644 20.776 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 22.212 67.062 29.738 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 21.272 66.987 29.573 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 22.422 67.971 29.524 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 45.046 32.603 36.316 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 44.327 32.991 35.818 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 45.336 33.301 36.903 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 74.759 58.093 23.266 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 74.898 57.556 22.486 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 74.004 57.697 23.699 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 76.125 61.710 43.633 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 76.848 61.623 44.255 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 75.348 61.454 44.130 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 79.981 59.722 64.973 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 80.119 58.907 65.457 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 79.402 60.239 65.535 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 35.811 69.286 -6.068 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 35.256 69.453 -5.307 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 36.697 69.492 -5.770 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 29.755 1.930 -18.263 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 29.649 1.022 -18.547 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 30.156 2.370 -19.012 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 44.320 29.756 2.242 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 44.509 30.201 1.416 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 45.131 29.828 2.744 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 20.414 36.951 56.754 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 20.596 36.012 56.769 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 21.234 37.359 57.031 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 72.787 23.244 -18.225 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 72.410 22.696 -18.913 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 72.557 22.799 -17.410 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 53.352 70.207 23.988 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 53.621 69.645 23.261 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 53.909 70.981 23.911 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 69.962 84.393 34.875 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 70.102 83.751 35.570 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 69.180 84.874 35.146 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 71.146 78.710 51.678 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 71.004 77.806 51.399 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 70.436 78.884 52.297 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 42.000 28.685 37.375 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 42.703 29.234 37.724 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 41.903 28.969 36.466 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 79.334 20.772 -5.880 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 78.841 20.113 -6.370 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 78.664 21.353 -5.520 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 31.838 6.111 35.434 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 31.268 5.803 34.730 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 31.556 7.011 35.595 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 40.295 12.669 -11.817 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 40.152 11.957 -11.193 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 40.453 13.439 -11.271 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 46.710 70.552 56.783 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 46.281 71.310 56.385 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 47.081 70.070 56.044 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 42.386 38.807 -3.694 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 43.018 38.239 -3.254 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 41.833 38.207 -4.195 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 27.198 15.765 29.481 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 27.903 15.149 29.678 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 27.099 15.721 28.530 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 80.838 78.274 7.672 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 80.384 77.693 8.282 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 81.695 77.866 7.545 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 62.523 70.695 0.110 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 62.755 71.118 0.937 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 61.568 70.748 0.074 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 71.601 54.155 57.226 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 71.558 54.173 56.270 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 70.694 54.024 57.505 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 26.976 1.693 35.929 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 26.194 1.175 35.737 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 26.699 2.300 36.615 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 32.573 23.404 45.007 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 32.699 22.608 45.525 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 32.607 24.115 45.647 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 24.577 68.788 16.224 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 24.271 69.196 17.034 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 25.071 68.021 16.514 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 44.191 56.612 57.084 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 43.860 57.341 57.609 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 44.310 55.899 57.710 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 26.826 85.632 64.999 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 26.997 84.790 65.421 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 27.591 86.167 65.213 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 45.545 34.663 16.461 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 44.746 35.068 16.799 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 45.280 34.263 15.633 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 34.562 72.224 43.610 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 35.275 72.614 44.114 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 34.972 71.504 43.130 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 62.666 42.076 32.951 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 62.043 41.350 32.977 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 62.333 42.654 32.265 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 21.203 52.359 51.788 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 21.497 53.074 52.353 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 20.559 52.763 51.207 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 41.136 7.499 35.155 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 40.946 7.974 34.346 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 41.738 6.804 34.890 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 65.345 28.890 55.428 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 65.158 29.678 55.937 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 64.555 28.356 55.511 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 26.702 23.996 53.216 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 27.373 24.211 53.864 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 26.605 23.046 53.277 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 79.461 73.371 7.752 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 80.257 73.165 8.243 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 78.932 72.576 7.809 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 87.925 31.084 8.101 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 88.290 30.207 8.217 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 87.916 31.459 8.981 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 41.892 66.458 58.843 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 42.592 66.356 59.488 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 42.041 67.323 58.462 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 75.078 59.157 17.358 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 74.302 58.888 16.866 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 75.577 58.349 17.481 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 21.788 2.181 0.221 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 22.119 1.956 1.090 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 22.570 2.405 -0.284 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 82.417 94.647 -3.007 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 81.689 94.049 -3.178 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 82.006 95.422 -2.624 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 40.018 71.340 10.083 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 40.755 70.883 10.487 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 39.976 72.180 10.541 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 41.428 29.181 29.645 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 41.946 29.668 29.004 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 41.659 29.571 30.488 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 30.268 46.195 53.462 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 29.954 46.938 52.947 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 31.044 46.527 53.913 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 86.163 29.772 33.096 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 86.809 30.475 33.168 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 85.870 29.807 32.186 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 53.788 42.240 64.948 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 54.133 41.666 65.632 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 53.545 43.043 65.408 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 64.316 13.193 -7.574 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 64.596 13.695 -8.340 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 63.969 12.377 -7.936 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 54.585 5.374 11.225 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 53.860 5.959 11.006 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 54.164 4.590 11.577 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 30.143 86.299 -17.207 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 29.198 86.151 -17.239 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 30.255 87.201 -17.507 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 85.199 34.365 -17.233 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 85.066 35.313 -17.269 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 86.065 34.229 -17.615 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 69.043 88.272 35.125 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 68.408 88.615 35.754 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 69.041 87.327 35.274 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 37.510 5.483 57.496 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 38.219 4.952 57.134 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 37.631 6.347 57.102 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 59.197 73.462 27.436 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 58.719 72.828 26.900 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 58.662 73.562 28.223 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 70.210 38.106 45.698 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 70.974 38.676 45.612 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 69.723 38.232 44.884 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 82.389 79.158 48.681 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 82.166 78.789 47.826 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 82.875 79.958 48.478 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 24.655 90.620 1.662 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 25.480 90.206 1.914 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 24.125 90.605 2.460 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 78.979 33.585 23.126 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 79.644 34.245 23.322 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 78.160 34.078 23.075 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 68.471 38.802 4.819 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 67.660 39.221 5.106 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 69.162 39.408 5.088 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 51.103 32.599 0.073 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 50.503 31.859 0.169 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 51.543 32.662 0.921 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 89.560 86.247 -9.970 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 90.252 86.736 -10.415 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 88.900 86.907 -9.757 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 67.686 52.724 6.571 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 67.947 53.041 5.707 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 67.020 53.346 6.864 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 72.457 15.511 8.172 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 72.925 16.330 8.330 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 72.158 15.577 7.265 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 33.658 88.415 33.685 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 33.396 87.494 33.680 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 32.867 88.891 33.433 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 38.026 80.707 52.274 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 38.573 81.488 52.358 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 37.775 80.688 51.350 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 51.432 79.272 40.038 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 51.998 78.628 39.612 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 51.667 80.106 39.630 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 77.645 21.548 -11.064 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 77.945 22.160 -11.736 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 77.581 20.707 -11.517 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 80.130 72.488 -7.496 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 80.566 73.285 -7.798 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 79.536 72.786 -6.807 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 84.391 83.972 -16.900 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 84.495 84.819 -16.467 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 84.924 83.370 -16.381 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 63.378 18.772 18.572 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 63.594 19.528 19.116 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 64.139 18.661 18.002 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 43.278 15.750 -9.239 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 42.653 16.110 -8.609 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 44.089 15.648 -8.740 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 71.971 55.109 3.258 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 72.384 55.630 3.948 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 72.205 54.205 3.467 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 21.879 16.943 -12.788 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 21.342 17.735 -12.741 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 21.840 16.682 -13.708 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 83.145 62.086 -14.571 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 82.665 61.648 -15.274 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 83.615 61.381 -14.125 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 46.515 89.465 10.931 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 46.516 88.509 10.976 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 45.740 89.728 11.429 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 81.671 7.286 43.990 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 81.378 6.378 43.918 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 82.497 7.234 44.471 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 70.998 83.165 22.385 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 70.247 82.870 21.870 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 71.726 82.623 22.080 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 25.891 4.447 40.971 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 26.092 5.032 41.701 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 26.574 3.777 41.004 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 24.900 82.576 27.410 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 25.382 81.969 27.971 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 24.890 82.153 26.551 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 23.527 83.131 -14.192 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 23.031 82.385 -14.529 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 23.702 82.909 -13.277 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 51.913 24.576 3.345 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 52.789 24.233 3.168 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 51.931 24.812 4.273 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 28.558 89.564 39.954 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 28.880 88.761 39.546 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 29.137 89.700 40.705 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 51.962 71.231 61.963 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 52.008 71.073 62.906 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 52.313 72.115 61.851 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 47.528 14.197 39.087 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 48.094 14.860 39.483 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 46.785 14.692 38.739 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 72.007 7.756 11.397 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 72.700 7.922 10.757 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 72.376 7.097 11.984 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 71.831 27.665 50.385 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 71.865 28.040 49.504 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 71.919 28.418 50.970 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 29.709 63.900 19.459 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 30.580 64.275 19.591 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 29.671 63.704 18.523 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 64.545 88.752 5.537 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 63.785 88.415 6.012 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 64.178 89.372 4.906 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 83.686 85.776 47.068 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 83.339 86.295 46.343 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 83.082 85.943 47.792 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 45.591 54.731 40.344 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 46.141 55.342 39.854 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 45.154 55.274 41.000 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 54.858 85.311 35.851 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 55.649 85.414 35.321 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 54.896 84.407 36.164 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 55.440 12.972 16.286 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 56.188 12.479 16.623 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 55.417 13.766 16.820 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 21.799 50.810 54.266 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 21.379 50.745 53.409 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 21.925 51.749 54.401 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 38.102 88.574 62.155 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 38.660 87.798 62.204 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 38.238 88.912 61.269 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 60.075 34.247 -9.018 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 60.657 34.837 -8.540 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 59.357 34.806 -9.315 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 78.991 50.117 37.996 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 79.081 51.008 37.657 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 78.239 50.161 38.588 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 28.833 23.855 36.495 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 28.652 24.795 36.518 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 29.349 23.729 35.699 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 78.391 16.452 -0.456 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 78.117 15.544 -0.321 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 79.261 16.501 -0.060 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 35.417 81.579 -1.458 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 36.237 81.498 -0.972 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 35.522 80.991 -2.206 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 27.059 31.278 -5.710 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 26.309 31.596 -6.212 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 27.085 31.841 -4.936 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 29.226 6.144 18.159 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 30.066 5.884 17.780 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 28.706 5.341 18.163 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 26.141 73.416 -1.645 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 27.000 73.513 -1.235 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 25.607 72.976 -0.983 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 86.414 9.125 54.791 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 85.585 8.713 54.550 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 87.038 8.401 54.836 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 25.341 3.032 61.306 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 25.894 2.894 62.076 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 25.578 3.906 60.994 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 67.669 72.653 16.031 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 67.422 73.122 16.828 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 67.304 71.776 16.147 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 57.863 15.488 -0.245 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 57.817 16.443 -0.201 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 57.342 15.258 -1.015 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 55.281 77.650 57.221 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 55.186 76.775 56.845 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 56.068 77.594 57.763 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 79.124 26.350 23.138 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 80.044 26.086 23.157 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 79.137 27.241 22.789 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 90.636 2.212 10.197 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 90.454 2.593 11.057 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 89.902 1.619 10.037 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 81.832 89.620 13.773 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 81.664 88.781 14.202 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 82.786 89.698 13.764 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 81.628 16.168 64.596 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 81.662 15.559 63.859 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 81.837 15.631 65.361 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 60.562 39.099 37.972 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 59.797 39.666 38.074 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 60.869 39.267 37.081 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 74.180 93.733 46.629 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 73.238 93.868 46.526 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 74.432 93.215 45.864 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 56.285 65.587 47.626 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 57.194 65.317 47.490 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 56.072 66.110 46.853 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 58.797 30.724 39.357 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 57.998 30.593 38.846 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 59.175 31.532 39.010 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 51.590 71.972 -18.372 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 52.429 72.262 -18.012 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 51.196 71.452 -17.672 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 27.155 50.461 18.756 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 27.064 50.338 17.811 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 27.870 49.875 19.006 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 69.467 41.917 -16.085 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 68.716 42.299 -15.630 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 69.866 42.653 -16.549 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 69.387 47.905 11.903 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 69.753 48.549 12.509 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 68.719 47.448 12.414 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 79.552 22.057 -1.976 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 79.517 21.777 -1.061 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 80.424 21.796 -2.273 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 51.302 36.999 1.452 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 50.646 36.718 2.090 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 50.821 37.563 0.846 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 66.222 73.786 -6.494 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 65.747 73.113 -6.006 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 65.960 73.652 -7.405 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 36.795 1.461 8.199 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 36.237 1.510 7.422 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 36.226 1.103 8.880 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 41.622 26.065 23.740 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 41.021 26.580 24.279 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 41.052 25.490 23.229 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 43.534 8.833 19.168 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 43.419 8.097 19.769 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 42.957 9.516 19.512 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 56.856 25.183 63.732 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 57.323 25.288 64.561 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 56.007 24.818 63.979 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 38.474 11.267 7.136 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 38.783 12.173 7.125 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 37.850 11.218 6.411 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 23.396 10.586 33.203 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 23.816 11.284 32.701 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 22.604 10.990 33.559 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 58.165 35.609 54.256 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 58.809 36.136 53.783 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 57.335 36.065 54.121 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 65.130 25.317 51.811 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 65.310 26.163 51.400 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 64.905 24.739 51.082 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 76.709 32.162 55.283 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 77.423 31.543 55.433 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 75.950 31.761 55.706 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 79.704 80.758 -20.012 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 80.490 81.303 -20.054 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 79.628 80.518 -19.089 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 66.667 49.367 22.285 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 67.293 49.138 21.598 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 65.809 49.231 21.884 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 37.539 19.143 19.284 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 38.399 18.923 18.926 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 37.062 19.523 18.546 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 90.246 39.936 16.508 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 89.406 39.912 16.050 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 90.101 39.424 17.303 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 57.442 11.346 17.051 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 58.162 11.069 16.485 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 57.845 11.465 17.911 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 27.256 44.238 -2.681 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 27.190 43.758 -3.506 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 26.369 44.562 -2.521 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 86.122 81.499 -3.600 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 86.063 80.629 -3.205 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 87.059 81.700 -3.601 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 29.238 89.223 60.957 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 29.784 88.440 60.892 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 28.724 89.226 60.149 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 27.182 5.141 4.656 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 27.921 5.491 5.152 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 27.315 4.193 4.664 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 85.675 18.319 7.021 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 86.304 18.765 6.455 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 85.450 18.968 7.688 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 29.622 46.570 28.251 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 30.511 46.372 28.542 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 29.498 46.029 27.471 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 45.029 6.539 17.021 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 45.265 5.634 17.226 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 44.121 6.488 16.722 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 82.350 10.551 -6.005 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 83.190 10.165 -5.760 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 82.283 11.342 -5.469 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 34.071 78.535 55.565 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 34.870 79.028 55.747 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 33.786 78.848 54.706 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 64.912 81.441 4.977 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 65.063 81.803 5.850 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 63.982 81.214 4.969 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 45.018 62.147 42.677 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 45.535 62.755 42.149 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 45.636 61.803 43.322 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 49.752 93.639 -18.239 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 50.535 94.173 -18.375 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 49.636 93.169 -19.064 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 24.719 14.111 58.022 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 24.748 13.840 57.105 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 25.527 13.765 58.401 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 70.342 18.003 34.077 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 70.396 17.761 35.001 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 71.253 18.044 33.786 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 41.976 85.533 43.568 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 42.046 86.488 43.570 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 42.815 85.231 43.219 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 68.230 27.173 -7.821 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 68.116 26.929 -8.740 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 67.504 27.770 -7.639 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 87.788 92.292 55.326 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 88.408 92.857 55.786 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 87.517 91.649 55.981 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 42.767 7.020 -19.198 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 42.410 7.336 -20.028 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 42.640 6.071 -19.229 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 28.089 30.854 63.533 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 28.642 31.134 64.263 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 28.699 30.725 62.807 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 65.786 23.537 30.832 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 65.368 22.680 30.916 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 66.564 23.372 30.298 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 21.951 43.041 -7.666 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 21.808 42.587 -6.835 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 21.897 43.970 -7.445 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 26.090 36.380 12.052 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 25.422 37.000 11.757 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 26.910 36.729 11.704 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 28.300 22.418 -5.257 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 28.974 23.098 -5.266 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 28.790 21.595 -5.268 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 78.858 34.144 30.366 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 77.920 34.023 30.220 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 79.137 34.728 29.661 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 31.488 30.600 33.253 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 31.072 31.459 33.187 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 32.419 30.773 33.111 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 38.946 42.128 2.284 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 39.838 41.784 2.244 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 38.390 41.379 2.067 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 24.366 29.899 22.098 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 24.906 30.689 22.116 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 23.475 30.215 22.248 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 25.289 11.089 63.277 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 25.180 10.456 62.568 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 25.788 10.620 63.944 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 82.171 75.943 44.923 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 81.478 75.471 45.383 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 81.763 76.235 44.107 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 36.959 16.574 19.551 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 37.337 17.447 19.660 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 36.023 16.732 19.425 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 88.625 38.845 57.287 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 89.286 38.181 57.093 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 87.796 38.440 57.031 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 27.141 11.944 28.151 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 27.803 12.607 27.956 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 27.364 11.632 29.028 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 36.956 5.974 28.583 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 37.283 6.403 29.374 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 36.014 6.142 28.591 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 77.685 91.620 27.630 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 77.633 92.388 27.062 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 77.678 90.875 27.028 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 75.718 22.924 44.386 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 75.758 23.386 43.549 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 76.410 22.265 44.329 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 69.651 26.768 7.660 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 70.082 27.469 7.171 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 68.824 27.152 7.951 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 24.180 12.874 -7.404 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 24.344 13.813 -7.487 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 24.998 12.518 -7.057 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 71.947 39.143 35.107 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 71.262 39.602 34.621 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 72.733 39.672 34.972 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 34.717 59.771 41.839 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 35.587 60.070 41.574 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 34.799 58.820 41.903 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 34.315 24.770 3.911 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 35.037 24.794 4.539 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 33.753 25.503 4.163 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 62.534 12.178 -12.277 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 63.280 12.754 -12.442 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 62.813 11.628 -11.544 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 23.586 95.808 14.020 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 23.679 94.908 13.709 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 24.255 96.298 13.541 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 77.568 27.707 25.271 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 78.032 26.916 24.998 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 78.195 28.175 25.822 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 33.643 54.626 -6.689 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 32.830 54.549 -6.189 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 34.316 54.794 -6.029 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 56.426 12.298 20.733 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 56.494 13.014 20.102 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 55.488 12.122 20.797 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 45.208 93.776 -8.824 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 45.964 94.145 -8.369 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 44.946 93.028 -8.288 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 21.823 11.040 61.135 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 21.670 10.421 60.421 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 22.311 11.757 60.731 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 22.872 57.933 -0.449 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 23.284 57.377 0.213 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 23.446 57.865 -1.211 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 54.013 69.161 -5.643 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 54.327 68.407 -5.143 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 54.647 69.853 -5.458 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 27.747 70.332 -2.458 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 27.184 69.594 -2.690 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 27.278 70.780 -1.754 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 52.774 47.015 62.088 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 53.106 46.859 61.204 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 52.127 47.712 61.981 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 33.059 19.913 44.724 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 32.297 19.737 44.172 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 32.751 20.560 45.359 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 38.467 29.243 11.936 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 39.074 29.485 12.636 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 39.031 28.986 11.207 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 26.125 96.238 24.337 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 26.495 95.920 25.160 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 26.768 95.990 23.673 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 86.735 84.952 -0.953 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 87.337 85.685 -0.825 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 87.195 84.197 -0.587 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 69.333 33.107 8.730 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 69.299 33.455 7.839 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 69.292 33.880 9.292 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 82.616 22.197 50.561 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 81.892 22.101 49.943 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 82.838 21.301 50.812 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 29.858 3.283 55.134 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 29.659 3.628 56.004 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 29.003 3.167 54.720 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 45.936 23.340 35.794 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 46.757 23.570 35.358 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 45.254 23.636 35.192 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 59.824 13.143 -0.587 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 59.010 13.567 -0.315 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 60.219 13.756 -1.207 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 22.268 69.202 39.045 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 21.858 68.992 39.884 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 23.138 68.806 39.098 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 62.891 78.667 19.159 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 63.379 77.856 19.016 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 63.009 78.856 20.090 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 57.175 24.875 0.824 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 56.925 24.228 0.164 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 56.630 25.638 0.630 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 88.166 29.642 22.777 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 88.656 28.831 22.640 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 88.808 30.254 23.137 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 82.758 71.642 17.624 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 81.905 71.207 17.613 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 82.910 71.848 18.546 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 52.771 16.530 57.497 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 53.716 16.593 57.639 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 52.448 17.420 57.634 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 77.025 26.287 38.207 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 76.509 26.294 37.401 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 76.848 27.135 38.613 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 44.323 86.607 27.692 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 43.739 86.787 26.955 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 45.174 86.945 27.412 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 72.325 48.387 10.791 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 71.498 48.796 11.045 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 72.409 48.576 9.857 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 63.464 85.087 31.439 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 62.784 84.840 32.065 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 62.984 85.349 30.654 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 55.586 93.108 62.702 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 56.404 93.600 62.629 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 55.735 92.500 63.426 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 63.048 22.279 17.411 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 62.838 23.166 17.703 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 62.204 21.902 17.162 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 45.536 79.077 11.652 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 45.390 78.258 12.125 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 46.281 78.894 11.079 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 51.491 92.617 20.936 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 51.874 92.893 21.769 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 50.546 92.676 21.075 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 72.760 13.244 -6.805 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 72.264 13.073 -6.004 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 73.249 12.436 -6.961 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 60.510 5.637 50.610 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 60.038 4.845 50.352 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 61.395 5.512 50.267 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 29.003 78.936 -3.463 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 29.506 78.125 -3.392 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 29.637 79.587 -3.764 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 48.977 31.989 58.687 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 49.408 32.748 59.079 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 48.059 32.246 58.612 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 84.002 21.094 46.928 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 84.593 21.217 47.671 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 83.468 21.888 46.913 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 56.800 29.598 12.088 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 56.048 29.008 12.021 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 56.438 30.467 11.917 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 90.268 39.745 21.288 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 91.198 39.851 21.486 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 90.007 40.581 20.901 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 60.007 12.610 15.235 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 59.791 12.198 14.398 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 59.231 13.125 15.456 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 80.489 30.064 45.193 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 80.483 30.903 45.656 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 80.645 30.297 44.278 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 21.663 5.618 41.449 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 22.334 5.222 40.893 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 21.606 6.524 41.148 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 29.263 36.246 18.756 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 29.850 36.882 18.346 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 28.613 36.780 19.213 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 33.688 13.315 -2.831 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 34.339 12.708 -3.185 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 34.134 13.745 -2.101 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 63.219 86.238 64.643 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 63.478 85.772 65.438 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 64.044 86.425 64.195 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 21.899 49.193 60.033 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 21.078 48.947 59.606 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 22.525 48.527 59.750 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 58.616 29.989 0.526 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 58.111 30.614 1.046 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 58.081 29.838 -0.253 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 40.863 54.913 -6.977 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 40.237 54.412 -6.454 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 41.690 54.442 -6.880 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 24.802 11.021 -11.058 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 24.146 10.391 -11.358 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 24.300 11.807 -10.844 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 24.944 22.898 33.597 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 25.506 22.148 33.793 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 25.463 23.439 33.003 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 67.529 73.164 -10.797 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 68.024 72.419 -11.137 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 67.917 73.927 -11.226 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 37.145 8.420 6.499 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 37.604 9.148 6.081 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 36.409 8.233 5.916 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 87.281 86.590 37.227 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 86.902 87.244 36.640 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 87.773 86.006 36.650 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 54.009 22.162 38.653 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 54.275 21.619 39.395 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 54.471 22.990 38.784 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 32.134 42.535 24.350 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 32.278 43.468 24.506 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 31.888 42.481 23.426 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 45.954 2.284 -18.577 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 46.111 3.211 -18.394 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 46.254 1.830 -17.789 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 50.707 20.380 -5.368 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 51.030 21.277 -5.287 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 50.633 20.235 -6.311 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 36.526 91.844 6.191 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 36.136 91.646 7.043 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 37.452 91.994 6.380 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 47.905 27.623 -4.077 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 47.582 28.233 -3.414 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 47.186 27.547 -4.705 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 46.007 9.946 13.566 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 45.430 9.676 12.851 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 46.225 9.132 14.019 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 30.231 80.363 33.188 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 30.036 80.010 32.319 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 29.536 80.018 33.749 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 29.842 13.541 -2.745 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 30.062 13.860 -1.870 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 30.433 14.015 -3.329 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 28.945 20.245 59.622 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 29.817 19.860 59.704 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 28.685 20.445 60.521 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 73.517 70.809 8.300 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 73.208 70.510 9.156 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 72.754 70.727 7.728 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 58.705 17.341 65.974 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 58.727 17.744 66.842 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 57.949 16.755 66.001 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 89.726 19.580 3.579 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 89.114 18.923 3.249 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 89.890 19.321 4.486 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 39.823 62.713 43.412 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 39.175 63.300 43.022 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 40.564 63.280 43.623 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 41.744 23.795 14.937 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 41.505 23.552 14.043 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 42.699 23.847 14.926 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 49.399 48.372 -2.502 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 48.645 48.735 -2.966 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 49.020 47.906 -1.757 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 60.823 66.472 35.898 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 59.896 66.266 35.780 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 61.268 65.983 35.205 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 79.238 88.351 12.841 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 79.968 87.766 12.635 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 79.654 89.138 13.194 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 64.929 4.832 20.161 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 64.551 5.696 19.994 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 64.939 4.755 21.115 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 89.744 42.065 19.919 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 89.389 42.224 19.044 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 90.642 42.393 19.876 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 85.250 46.973 11.763 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 85.211 47.922 11.881 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 84.385 46.663 12.029 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 44.843 4.490 9.637 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 44.584 3.595 9.417 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 44.950 4.482 10.588 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 44.087 2.553 47.487 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 44.511 1.820 47.933 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 44.079 2.300 46.564 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 31.568 78.942 -16.721 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 30.676 79.284 -16.663 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 31.939 79.091 -15.852 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 29.814 18.716 -0.527 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 30.050 19.263 0.222 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 30.579 18.159 -0.668 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 57.352 41.838 -12.809 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 57.120 41.980 -13.727 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 57.078 40.939 -12.629 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 60.442 58.038 40.955 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 59.496 57.927 40.856 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 60.634 58.866 40.515 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 37.260 35.023 -7.673 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 37.662 34.917 -6.811 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 37.023 35.949 -7.715 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 75.575 69.993 15.657 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 75.043 69.653 16.377 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 74.942 70.376 15.050 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 31.286 27.438 54.739 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 31.395 27.998 55.507 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 30.629 26.794 55.003 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 34.944 9.933 43.450 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 34.665 10.408 42.667 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 35.873 10.146 43.541 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 71.134 4.628 8.422 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 71.590 5.423 8.148 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 71.765 4.168 8.977 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 50.194 9.688 2.156 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 49.647 9.086 2.661 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 49.572 10.268 1.718 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 80.981 45.188 24.131 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 81.666 45.586 23.594 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 80.990 45.693 24.944 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 81.569 28.627 3.680 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 82.114 28.447 4.446 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 80.966 29.311 3.969 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 31.489 61.129 -19.470 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 31.989 61.535 -18.763 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 30.588 61.112 -19.148 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 84.364 90.451 14.718 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 84.906 89.890 15.273 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 84.106 91.176 15.289 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 67.469 13.396 -11.010 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 67.545 13.573 -10.072 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 67.050 12.537 -11.060 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 36.549 36.854 11.669 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 37.409 37.266 11.747 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 35.931 37.585 11.680 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 21.603 65.216 6.453 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 21.014 64.477 6.304 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 22.326 64.849 6.961 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 28.685 93.971 -9.928 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 29.004 94.213 -10.797 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 28.814 94.758 -9.398 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 76.126 88.464 -6.539 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 76.456 87.971 -7.290 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 75.220 88.671 -6.767 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 72.313 8.551 -4.781 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 71.388 8.497 -4.540 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 72.780 8.213 -4.017 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 47.985 2.316 31.987 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 48.928 2.462 31.920 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 47.632 2.645 31.161 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 57.813 56.009 36.596 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 57.030 56.101 37.139 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 57.621 56.520 35.810 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 85.861 48.917 40.711 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 85.487 48.188 40.216 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 86.780 48.941 40.445 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 69.469 19.156 47.851 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 68.556 19.038 48.115 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 69.418 19.550 46.981 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 86.362 54.958 14.865 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 85.902 55.425 15.563 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 86.230 54.032 15.069 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 65.519 46.886 15.214 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 64.576 46.788 15.345 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 65.840 45.991 15.103 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 20.891 62.002 50.615 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 20.792 62.892 50.955 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 20.552 62.048 49.722 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 38.149 14.683 31.346 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 37.783 14.467 30.488 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 39.079 14.472 31.270 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 84.523 17.262 54.050 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 84.014 17.776 54.677 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 84.208 16.365 54.163 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 88.831 31.415 0.159 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 88.370 30.709 0.612 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 89.562 31.633 0.737 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 51.232 2.250 4.512 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 51.662 2.607 5.289 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 51.448 1.318 4.524 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 56.476 41.972 55.800 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 56.195 42.855 55.561 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 56.354 41.457 55.002 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 70.468 26.931 35.850 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 70.586 26.077 35.434 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 70.149 26.728 36.729 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 64.244 81.775 52.537 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 64.451 81.058 51.936 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 64.039 82.515 51.966 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 59.351 26.649 6.937 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 59.033 26.463 7.821 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 59.129 27.569 6.792 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 28.212 29.997 37.774 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 29.040 30.066 37.298 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 27.542 29.992 37.090 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 84.015 14.275 46.640 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 84.130 13.430 47.074 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 84.819 14.397 46.135 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 88.064 52.774 2.025 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 88.549 53.482 2.450 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 87.246 53.181 1.739 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 30.079 3.261 26.504 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 29.270 2.802 26.277 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 30.254 3.826 25.751 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 28.344 12.795 2.796 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 29.088 12.599 3.365 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 28.275 13.750 2.811 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 64.751 52.705 -1.756 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 65.348 52.237 -2.340 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 65.289 53.392 -1.363 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 85.441 64.881 30.729 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 85.991 64.521 30.033 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 84.587 65.010 30.318 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 20.931 45.911 11.560 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 21.476 45.159 11.793 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 20.403 45.604 10.823 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 63.476 0.960 4.664 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 63.713 1.219 3.774 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 64.311 0.911 5.130 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 27.612 14.486 -0.202 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 28.262 13.808 -0.016 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 27.344 14.320 -1.106 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 35.028 65.051 26.465 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 35.905 65.372 26.255 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 35.106 64.097 26.426 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 81.283 25.011 58.517 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 80.925 24.267 58.033 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 81.570 24.639 59.351 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 79.360 1.506 6.828 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 79.846 0.707 6.626 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 79.988 2.058 7.295 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 32.867 32.894 30.852 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 33.555 33.151 31.467 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 32.088 32.783 31.395 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 83.177 51.653 44.025 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 82.367 51.215 44.286 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 83.813 51.399 44.693 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 35.554 82.253 13.652 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 35.443 82.234 12.702 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 36.479 82.049 13.790 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 60.841 60.779 46.821 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 60.683 59.844 46.693 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 61.759 60.903 46.579 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 85.703 8.792 3.032 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 85.915 9.013 2.125 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 86.547 8.795 3.484 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 61.216 6.212 46.871 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 60.595 6.051 46.160 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 61.200 5.408 47.390 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 71.401 12.325 6.813 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 71.499 11.800 6.018 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 72.138 12.936 6.789 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 26.791 8.186 31.328 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 26.759 7.258 31.095 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 27.153 8.616 30.553 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 28.272 62.212 37.450 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 28.526 61.903 36.580 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 27.561 61.629 37.714 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 87.527 6.737 59.391 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 88.284 6.843 59.968 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 87.012 7.532 59.522 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 45.121 46.560 5.771 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 45.547 47.372 6.046 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 44.188 46.774 5.749 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 60.200 20.773 -19.419 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 61.056 20.657 -19.007 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 59.626 20.165 -18.954 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 63.062 24.607 30.859 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 63.094 25.521 31.142 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 63.882 24.229 31.178 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 53.322 74.036 59.716 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 53.985 73.397 59.454 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 53.712 74.495 60.459 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 21.085 21.861 48.868 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 21.670 22.618 48.898 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 20.572 21.985 48.069 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 39.673 6.969 55.642 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 39.202 6.242 55.236 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 39.946 7.519 54.907 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 37.961 18.164 -15.642 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 38.458 17.353 -15.546 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 37.506 18.268 -14.806 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 33.047 32.300 46.220 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 32.370 32.548 46.850 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 33.872 32.477 46.671 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 38.103 71.691 12.650 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 39.015 71.732 12.937 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 37.807 72.602 12.659 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 72.963 39.849 13.954 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 72.142 39.563 13.554 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 73.427 40.304 13.252 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 84.590 26.712 34.698 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 84.314 25.808 34.849 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 83.830 27.239 34.943 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 80.627 96.314 66.814 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 79.999 96.160 67.519 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 80.150 96.849 66.180 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 81.039 34.745 36.077 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 81.368 33.849 36.149 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 81.140 35.109 36.957 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 41.847 22.068 41.871 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 42.376 21.281 42.006 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 41.314 21.870 41.102 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 67.442 43.460 59.190 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 67.471 44.279 58.695 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 67.571 42.777 58.531 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 82.072 35.129 17.211 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 83.027 35.061 17.226 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 81.865 35.402 16.318 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 44.771 90.082 5.896 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 44.627 89.314 5.342 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 45.550 89.866 6.408 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 26.801 52.842 58.854 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 26.800 52.939 59.806 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 25.978 53.241 58.571 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 83.984 40.397 -9.710 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 83.439 40.064 -8.997 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 84.843 40.534 -9.312 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 86.297 9.735 37.027 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 86.970 10.187 36.518 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 85.483 9.909 36.556 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 86.958 66.009 32.445 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 87.597 65.348 32.179 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 86.113 65.648 32.176 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 59.455 51.568 31.687 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 59.250 52.263 31.062 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 59.990 50.948 31.189 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 80.092 74.505 39.688 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 79.728 74.151 38.876 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 80.651 73.805 40.025 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 68.122 87.054 45.668 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 68.299 86.171 45.343 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 68.843 87.584 45.328 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 83.850 34.319 57.061 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 83.431 34.850 56.384 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 84.134 34.950 57.721 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 86.352 39.409 -2.629 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 86.002 39.498 -1.743 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 87.051 40.061 -2.677 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 37.036 54.938 -6.372 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 37.616 54.192 -6.218 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 36.791 55.237 -5.497 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 89.508 45.388 28.672 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 89.516 44.683 28.025 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 89.274 46.170 28.172 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 26.928 18.368 34.072 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 26.036 18.269 33.739 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 27.239 17.472 34.198 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 40.487 2.603 45.223 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 40.920 3.410 45.499 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 40.226 2.768 44.317 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 65.045 84.089 -9.797 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 65.225 83.323 -10.342 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 65.753 84.700 -10.002 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 51.128 13.812 42.367 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 51.773 13.697 41.669 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 50.766 12.937 42.506 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 53.554 1.636 -5.111 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 52.682 1.869 -5.433 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 53.896 2.449 -4.737 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 61.032 27.627 41.808 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 60.632 28.375 42.251 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 61.250 27.953 40.935 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 32.511 72.100 38.663 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 32.414 71.639 37.829 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 33.435 72.347 38.694 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 88.672 37.808 -6.362 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 88.525 37.034 -5.818 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 89.619 37.824 -6.504 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 21.636 91.649 63.548 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 22.427 91.697 63.011 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 21.454 90.713 63.625 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 89.731 42.465 -12.608 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 89.663 41.672 -12.076 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 89.111 43.075 -12.209 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 46.736 10.774 -6.875 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 46.218 11.141 -6.159 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 47.253 11.511 -7.201 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 65.547 46.877 -13.559 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 65.835 47.616 -13.023 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 64.615 46.784 -13.359 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 84.364 14.963 -10.139 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 83.468 15.282 -10.249 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 84.520 14.417 -10.909 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 82.717 46.970 -16.695 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 82.593 47.877 -16.415 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 81.830 46.621 -16.779 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 33.959 44.259 -16.848 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 34.843 44.579 -17.029 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 33.637 44.827 -16.147 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 24.762 39.545 48.396 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 23.839 39.692 48.191 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 24.908 38.621 48.195 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 33.387 85.426 -3.708 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 34.104 85.287 -4.327 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 33.801 85.837 -2.950 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 76.088 6.820 -5.153 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 75.461 6.330 -5.685 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 76.896 6.310 -5.204 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 43.350 57.637 -3.844 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 44.097 57.038 -3.829 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 43.345 58.036 -2.974 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 85.747 56.245 26.265 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 86.017 57.032 26.738 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 86.518 55.996 25.754 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 78.096 60.003 41.880 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 77.601 60.718 41.480 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 77.430 59.362 42.131 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 70.211 83.361 64.115 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 70.943 83.125 63.545 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 70.316 84.300 64.265 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 79.769 86.536 3.673 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 79.545 87.425 3.397 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 80.726 86.519 3.672 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 62.041 29.784 -5.452 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 61.284 29.386 -5.021 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 61.805 30.706 -5.548 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 88.547 33.825 62.758 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 88.504 34.698 62.369 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 87.701 33.428 62.552 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 66.397 90.875 19.117 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 65.759 90.663 18.436 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 67.215 90.484 18.810 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 71.605 72.192 -10.398 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 72.155 71.615 -9.869 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 71.341 72.889 -9.798 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 39.149 50.537 29.434 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 39.860 51.177 29.404 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 39.545 49.723 29.123 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 80.922 4.416 45.560 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 81.179 4.326 44.643 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 80.035 4.774 45.528 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 42.370 45.437 64.446 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 41.742 45.536 63.731 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 42.707 46.321 64.594 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 28.990 48.132 64.265 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 28.656 48.915 64.703 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 28.476 47.413 64.632 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 82.243 95.209 -15.631 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 83.072 94.732 -15.604 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 82.390 95.909 -16.267 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 29.522 57.963 57.910 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 29.315 58.625 58.570 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 28.680 57.556 57.706 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 24.257 48.020 11.901 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 23.806 48.213 12.723 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 25.131 48.395 12.013 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 80.971 76.522 42.402 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 80.054 76.392 42.158 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 81.463 76.297 41.612 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 84.311 73.926 2.304 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 85.170 73.765 2.695 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 84.430 74.721 1.785 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 61.573 47.443 62.804 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 62.458 47.077 62.787 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 61.704 48.389 62.741 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 27.038 55.638 38.478 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 27.803 56.052 38.077 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 26.294 55.979 37.982 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 70.230 48.561 64.034 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 70.338 49.211 63.340 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 70.165 49.077 64.838 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 20.546 30.318 19.944 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 20.780 30.450 19.025 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 19.966 29.556 19.936 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 49.369 55.660 22.375 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 49.454 55.525 21.431 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 50.067 56.276 22.594 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 52.864 37.350 13.388 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 52.286 37.948 13.862 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 52.766 36.513 13.841 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 57.007 34.157 43.195 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 57.076 35.050 43.533 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 56.143 34.122 42.785 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 54.578 34.015 8.606 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 55.004 34.101 9.459 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 53.648 33.922 8.811 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 28.165 27.581 16.748 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 27.738 27.125 16.023 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 27.950 28.503 16.612 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 70.030 31.472 12.722 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 69.333 31.178 12.135 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 70.158 30.742 13.328 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 49.901 43.510 61.920 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 49.755 44.449 61.803 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 50.845 43.428 62.056 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 38.398 73.277 30.783 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 38.241 72.420 30.385 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 39.088 73.120 31.427 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 84.333 53.885 -6.144 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 84.921 53.428 -5.543 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 83.590 54.147 -5.600 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 22.469 89.239 40.252 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 23.071 89.766 39.726 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 22.702 88.333 40.049 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 41.731 77.484 -6.289 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 41.680 76.883 -5.545 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 42.535 77.981 -6.141 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 79.678 73.302 44.504 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 79.615 73.618 45.405 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 80.612 73.343 44.299 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 49.485 62.162 10.022 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 50.367 62.421 10.289 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 48.987 62.129 10.839 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 53.032 71.376 6.656 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 53.780 71.354 7.253 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 52.641 70.505 6.728 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 86.353 61.744 24.770 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 85.831 61.056 25.182 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 86.377 61.505 23.843 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 42.308 53.299 31.123 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 43.259 53.362 31.214 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 42.100 53.871 30.385 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 73.998 11.869 54.691 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 73.668 12.036 53.808 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 73.384 11.234 55.060 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 25.799 86.525 22.455 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 26.715 86.676 22.686 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 25.835 86.038 21.632 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 34.806 29.086 57.195 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 35.458 29.363 57.839 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 35.052 29.545 56.392 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 21.430 66.956 16.346 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 21.846 67.814 16.436 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 22.150 66.331 16.428 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 28.809 51.104 12.702 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 29.614 50.761 13.090 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 29.108 51.660 11.982 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 72.219 51.242 12.969 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 71.412 51.450 12.498 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 72.153 50.306 13.156 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 63.393 70.527 49.460 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 63.643 69.852 50.092 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 63.045 71.240 49.995 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 90.282 85.991 -14.265 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 89.734 85.658 -14.975 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 91.176 85.777 -14.531 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 68.579 47.010 1.999 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 68.952 46.901 2.874 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 67.735 47.435 2.149 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 25.845 41.700 8.733 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 26.647 41.716 9.256 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 25.219 42.220 9.237 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 81.211 48.696 62.106 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 81.717 49.503 62.016 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 80.469 48.939 62.660 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 58.830 50.838 1.092 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 59.430 51.338 1.645 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 57.957 51.113 1.374 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 42.169 27.553 -12.644 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 41.276 27.508 -12.986 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 42.433 28.463 -12.782 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 22.408 45.788 -3.472 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 23.250 45.424 -3.199 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 21.901 45.853 -2.663 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 54.805 79.907 -0.885 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 54.013 79.381 -0.777 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 55.518 79.324 -0.626 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 23.161 34.006 41.588 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 22.882 33.177 41.198 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 23.906 33.772 42.141 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 74.870 37.274 7.453 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 73.966 37.271 7.767 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 74.912 38.014 6.847 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 82.588 81.959 37.731 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 82.388 81.082 38.057 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 82.091 82.031 36.916 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 57.694 53.667 -14.316 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 57.382 53.003 -13.701 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 57.806 53.196 -15.142 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 87.123 49.497 55.796 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 86.756 49.346 56.667 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 87.244 50.445 55.747 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 37.268 6.807 25.416 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 37.148 6.962 26.353 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 38.152 7.126 25.232 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 67.168 94.156 -18.888 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 67.760 94.846 -18.590 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 67.246 94.167 -19.842 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 66.370 69.101 21.308 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 66.003 69.982 21.224 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 66.251 68.709 20.443 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 34.442 70.890 52.701 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 34.267 71.779 52.389 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 33.575 70.515 52.855 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 78.016 77.797 -6.468 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 77.635 76.919 -6.507 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 77.275 78.372 -6.278 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 52.372 84.026 38.198 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 52.688 84.340 39.045 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 52.910 84.486 37.554 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 24.313 19.276 -7.471 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 24.840 20.061 -7.324 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 24.943 18.614 -7.755 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 86.102 38.594 6.186 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 86.779 39.226 5.943 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 85.664 38.990 6.940 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 36.693 34.771 56.097 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 36.975 33.891 55.846 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 35.805 34.847 55.749 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 50.649 29.977 31.514 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 50.543 29.599 30.641 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 50.552 30.920 31.381 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 44.733 19.841 54.427 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 45.508 20.175 53.976 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 44.582 20.463 55.138 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 26.524 73.745 33.859 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 26.737 73.535 32.950 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 27.373 73.814 34.295 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 84.700 56.049 -3.028 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 85.398 56.566 -3.429 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 84.048 56.695 -2.757 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 78.203 83.590 22.799 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 77.847 82.709 22.677 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 79.098 83.535 22.464 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 34.183 83.350 16.114 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 34.219 83.058 15.203 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 33.527 82.785 16.522 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 34.648 64.380 11.733 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 34.689 65.114 11.121 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 35.519 64.348 12.129 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 74.425 45.163 43.625 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 73.816 45.885 43.778 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 74.717 45.282 42.722 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 43.204 78.429 -18.882 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 42.964 79.355 -18.848 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 43.772 78.357 -19.649 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 61.252 22.586 46.105 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 61.292 22.786 45.170 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 60.660 23.247 46.466 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 81.731 16.425 -12.340 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 80.838 16.451 -11.998 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 81.808 15.562 -12.746 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 60.280 71.581 54.692 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 59.823 70.997 55.298 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 60.513 71.022 53.950 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 73.069 66.928 -6.181 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 72.784 66.184 -6.711 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 72.257 67.371 -5.934 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 32.759 49.333 38.442 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 32.567 50.270 38.476 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 32.313 49.025 37.653 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 48.638 46.886 6.636 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 49.217 46.993 7.391 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 47.799 46.619 7.013 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 42.571 82.440 51.586 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 42.255 82.758 50.740 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 42.886 81.555 51.408 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 60.606 86.032 49.189 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 59.686 86.150 48.953 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 61.091 86.442 48.473 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 21.853 69.292 1.456 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 22.684 68.911 1.738 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 21.185 68.722 1.838 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 37.243 55.826 52.732 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 37.698 55.497 53.507 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 37.077 56.748 52.924 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 53.487 40.864 31.419 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 53.739 40.208 30.769 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 52.532 40.811 31.455 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 23.006 43.168 40.734 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 22.487 43.926 41.004 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 22.602 42.427 41.186 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 32.610 91.581 15.510 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 32.336 91.091 16.284 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 33.566 91.603 15.565 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 40.057 14.445 -9.713 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 40.225 15.382 -9.609 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 39.129 14.342 -9.503 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 83.800 70.736 54.994 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 84.146 71.377 55.615 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 83.251 71.249 54.401 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 82.942 44.185 18.598 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 83.298 45.072 18.648 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 82.182 44.263 18.022 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 58.228 5.907 24.377 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 59.093 5.781 24.767 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 57.915 6.733 24.746 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 76.604 49.717 29.328 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 76.544 49.927 30.260 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 77.154 48.934 29.294 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 35.811 21.890 4.698 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 35.844 22.751 5.114 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 36.641 21.477 4.935 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 73.123 18.785 -14.986 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 73.477 19.145 -14.172 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 73.885 18.429 -15.442 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 57.464 64.860 62.221 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 56.560 64.558 62.311 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 57.388 65.737 61.845 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 73.780 25.921 28.281 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 73.341 25.227 27.788 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 74.408 25.460 28.837 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 71.803 14.524 39.026 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 71.355 13.892 39.589 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 72.686 14.588 39.392 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 87.446 54.705 -13.930 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 87.695 55.299 -13.222 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 88.137 54.043 -13.942 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 70.317 31.402 32.800 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 69.663 30.732 32.994 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 69.817 32.122 32.415 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 52.942 60.687 17.244 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 53.047 59.744 17.370 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 52.161 60.770 16.696 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 24.200 80.195 30.609 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 23.680 79.892 29.865 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 24.401 81.109 30.405 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 66.371 53.461 66.339 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 66.006 52.588 66.190 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 65.724 54.058 65.964 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 79.985 78.533 2.101 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 80.860 78.265 1.821 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 79.948 78.303 3.029 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 65.824 45.042 10.595 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 65.016 45.335 11.015 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 66.356 44.697 11.313 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 33.828 94.789 -8.718 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 34.320 95.578 -8.492 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 33.181 95.084 -9.358 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 44.587 42.936 50.051 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 44.119 42.943 49.216 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 44.160 43.617 50.570 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 85.861 18.760 48.910 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 85.307 19.090 49.617 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 85.469 17.921 48.669 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 43.323 14.212 -11.564 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 43.256 14.935 -10.939 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 42.733 13.542 -11.219 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 47.856 32.065 -18.342 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 47.879 31.843 -17.411 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 46.967 32.385 -18.491 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 57.449 8.411 25.061 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 56.831 8.952 24.571 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 58.311 8.693 24.754 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 69.236 69.883 -2.367 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 69.119 69.614 -1.456 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 68.542 69.427 -2.843 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 79.454 15.958 44.599 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 79.727 15.170 44.128 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 78.525 16.054 44.386 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 20.611 59.224 10.028 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 20.794 58.397 9.582 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 20.807 59.049 10.948 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 48.458 70.422 -18.493 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 49.139 70.125 -17.889 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 47.642 70.323 -18.003 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 75.296 56.198 -6.362 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 76.167 56.390 -6.709 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 75.351 55.289 -6.065 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 77.662 63.026 7.052 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 77.413 62.408 6.365 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 77.938 63.812 6.580 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 32.622 81.815 17.879 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 32.963 80.932 18.017 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 33.033 82.342 18.564 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 86.811 63.246 28.834 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 87.537 63.255 28.211 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 86.338 62.437 28.640 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 27.783 15.059 47.572 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 28.374 15.704 47.184 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 27.532 15.439 48.414 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 23.662 64.899 29.169 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 23.392 65.777 29.438 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 23.498 64.352 29.938 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 29.002 68.005 28.477 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 29.742 68.611 28.528 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 28.610 68.032 29.350 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 78.219 68.035 7.117 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 78.394 67.483 6.354 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 79.044 68.042 7.602 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 72.527 89.018 3.678 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 71.807 88.707 4.226 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 72.099 89.467 2.950 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 27.555 89.322 0.744 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 27.443 88.973 1.628 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 28.128 88.691 0.307 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 63.192 28.385 21.484 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 63.340 28.228 22.416 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 62.270 28.167 21.347 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 22.360 72.718 19.881 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 21.739 73.306 20.313 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 22.352 71.925 20.416 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 36.515 36.827 35.427 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 36.136 37.694 35.574 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 36.528 36.730 34.475 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 79.656 18.677 8.878 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 78.921 18.133 8.596 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 79.909 19.164 8.094 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 31.518 30.583 22.917 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 30.739 30.736 23.452 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 32.233 30.514 23.549 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 74.345 75.254 1.809 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 73.973 75.054 2.668 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 73.903 74.654 1.209 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 70.120 74.100 15.240 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 69.968 74.371 14.335 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 69.268 73.783 15.541 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 33.514 40.828 18.142 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 34.041 40.336 17.512 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 33.449 40.250 18.903 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 69.120 19.386 11.078 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 69.725 18.771 11.494 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 68.699 19.839 11.809 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 52.992 66.668 8.762 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 53.572 65.913 8.668 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 53.258 67.074 9.587 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 57.363 66.942 19.842 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 56.760 66.286 19.493 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 58.115 66.436 20.151 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 32.787 63.533 -13.724 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 32.722 64.257 -14.347 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 33.026 62.777 -14.259 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 76.893 33.036 1.680 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 77.003 33.354 0.784 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 76.554 32.146 1.580 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 66.963 61.455 21.962 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 67.465 60.715 21.619 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 66.255 61.052 22.465 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 38.878 39.929 37.469 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 38.116 40.475 37.664 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 39.629 40.466 37.721 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 32.623 86.331 5.995 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 32.274 86.640 6.831 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 33.142 85.559 6.223 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 85.000 19.811 44.732 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 84.637 20.367 45.420 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 84.834 20.292 43.921 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 48.407 6.909 53.766 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 49.245 6.461 53.885 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 47.804 6.219 53.489 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 65.799 65.148 48.038 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 65.239 65.583 47.396 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 65.397 64.288 48.164 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 73.180 5.012 32.898 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 73.336 5.576 32.140 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 73.988 5.065 33.407 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 69.747 56.537 -2.358 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 70.566 56.888 -2.009 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 69.125 57.261 -2.285 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 60.199 6.469 1.727 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 60.565 5.683 1.321 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 60.276 7.145 1.053 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 78.171 3.499 34.139 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 78.899 3.137 34.644 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 78.084 2.912 33.388 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 61.300 15.792 21.117 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 61.564 16.198 20.291 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 61.395 14.852 20.963 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 75.718 42.264 16.001 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 76.647 42.476 16.093 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 75.276 43.112 16.011 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 25.481 92.992 -15.609 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 25.708 92.113 -15.307 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 25.229 92.873 -16.525 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 87.454 76.703 -1.555 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 87.203 75.809 -1.788 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 88.227 76.599 -1.000 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 38.623 85.661 62.270 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 38.799 84.816 62.684 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 37.846 85.508 61.732 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 20.961 55.301 5.954 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 21.410 56.056 6.334 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 21.650 54.647 5.836 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 63.269 52.718 5.157 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 62.507 53.217 5.450 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 63.765 52.544 5.957 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 74.085 92.271 4.868 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 74.491 93.077 5.186 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 74.315 91.612 5.523 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 84.097 5.478 35.512 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 83.721 5.117 34.709 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 84.189 4.724 36.094 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 66.859 31.033 -10.156 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 66.516 31.379 -9.332 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 66.274 31.384 -10.826 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 55.212 31.831 13.678 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 54.816 32.479 14.260 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 54.587 31.106 13.665 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 29.853 8.629 45.173 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 29.351 9.362 45.530 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 30.752 8.794 45.457 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 86.064 61.906 63.096 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 85.881 62.311 63.944 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 86.226 62.644 62.508 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 77.199 92.188 30.105 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 77.216 93.142 30.182 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 77.235 92.023 29.162 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 65.449 35.476 -8.376 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 65.612 36.249 -7.835 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 65.909 35.656 -9.196 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 66.095 49.459 51.621 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 66.750 49.849 52.199 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 66.582 49.219 50.833 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 49.020 77.071 -8.693 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 48.541 76.417 -9.203 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 48.854 76.833 -7.781 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 51.815 37.574 37.582 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 52.725 37.670 37.300 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 51.390 38.383 37.300 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 68.151 44.391 0.393 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 68.398 45.137 0.940 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 68.125 43.649 0.997 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 66.815 94.958 28.879 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 66.179 94.458 29.391 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 66.391 95.087 28.031 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 33.795 60.553 15.625 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 33.630 61.396 15.203 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 34.734 60.555 15.807 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 81.769 66.869 42.525 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 81.463 67.713 42.192 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 81.277 66.221 42.021 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 50.574 36.924 -8.744 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 49.670 37.127 -8.506 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 50.528 36.057 -9.147 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 63.141 8.149 -8.891 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 62.819 7.251 -8.976 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 63.364 8.237 -7.965 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 73.169 55.019 8.163 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 72.783 54.351 8.730 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 72.422 55.527 7.846 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 21.011 66.271 9.150 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 21.383 65.963 8.324 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 20.690 67.151 8.955 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 66.349 0.611 -10.987 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 66.964 1.128 -10.468 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 65.524 0.662 -10.504 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 61.878 1.105 20.285 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 61.593 0.372 19.740 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 62.491 0.717 20.909 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 28.166 64.213 2.956 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 28.959 64.579 2.563 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 28.460 63.410 3.386 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 49.873 56.706 45.586 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 50.585 56.241 46.027 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 50.207 57.594 45.462 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 87.794 49.387 21.374 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 88.504 49.452 20.735 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 87.813 48.474 21.661 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 23.627 33.079 -3.087 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 23.443 33.590 -2.299 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 23.958 33.719 -3.716 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 49.363 18.657 24.401 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 49.961 18.967 25.082 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 48.931 19.449 24.082 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 90.601 58.270 41.898 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 91.209 59.007 41.962 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 89.756 58.633 42.164 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 65.196 55.766 16.469 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 65.411 56.449 15.833 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 64.607 55.176 15.998 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 79.392 35.952 39.304 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 79.847 36.785 39.181 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 79.186 35.927 40.239 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 32.843 71.762 4.660 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 32.998 70.972 5.178 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 32.402 72.361 5.262 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 49.608 95.241 1.446 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 50.305 95.807 1.778 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 48.905 95.323 2.091 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 76.881 18.577 0.950 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 76.119 18.289 0.448 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 77.604 18.046 0.614 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 88.124 16.331 43.914 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 88.255 16.098 44.833 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 88.939 16.762 43.656 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 24.502 35.746 -13.294 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 24.195 34.944 -12.871 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 24.363 36.431 -12.640 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 27.972 29.178 40.350 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 27.855 29.539 39.472 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 27.106 29.242 40.753 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 58.022 93.034 60.875 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 58.824 93.172 60.372 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 57.659 92.218 60.530 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 56.613 60.988 -15.185 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 56.148 61.688 -14.728 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 56.390 60.194 -14.699 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 34.532 51.671 44.807 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 34.954 52.443 45.185 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 34.800 50.950 45.376 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 68.567 19.906 37.362 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 68.935 19.022 37.365 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 67.776 19.837 37.897 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 78.280 87.076 33.395 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 78.135 87.513 34.234 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 78.615 87.766 32.821 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 72.246 43.941 28.094 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 72.370 43.994 27.147 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 71.681 43.179 28.220 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 28.689 20.129 25.084 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 29.470 19.897 25.587 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 27.959 19.798 25.607 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 39.929 41.901 -16.646 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 40.367 42.726 -16.854 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 39.061 42.161 -16.339 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 26.353 28.420 23.358 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 25.674 28.884 22.868 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 26.313 27.521 23.031 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 42.393 8.591 7.315 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 42.281 8.253 6.426 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 42.233 7.837 7.881 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 41.806 47.098 51.169 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 41.435 47.912 51.509 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 42.068 47.310 50.273 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 41.569 38.528 15.886 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 42.006 38.587 16.736 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 42.030 37.826 15.427 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 27.272 4.456 26.973 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 27.221 3.849 26.234 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 27.206 3.898 27.747 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 72.421 39.630 45.473 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 72.636 39.250 46.325 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 73.138 39.359 44.901 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 88.522 3.143 48.515 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 88.032 2.547 47.949 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 88.116 3.043 49.377 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 54.201 13.566 58.017 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 53.537 13.764 57.356 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 54.370 14.405 58.446 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 50.898 21.269 40.597 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 50.076 21.760 40.593 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 50.977 20.941 41.493 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 46.852 25.827 -9.269 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 47.228 25.718 -8.395 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 47.169 25.070 -9.762 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 62.957 95.858 50.382 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 62.397 95.939 49.610 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 63.119 94.918 50.464 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 30.335 17.667 40.800 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 31.166 18.138 40.857 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 30.575 16.793 40.491 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 88.070 55.181 25.285 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 87.776 54.729 24.494 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 88.545 54.514 25.781 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 20.741 51.841 56.721 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 20.956 51.158 56.085 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 20.467 51.362 57.504 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 54.243 27.931 12.584 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 54.807 27.531 13.246 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 53.401 27.487 12.687 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 70.309 27.536 16.701 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 71.099 28.075 16.727 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 69.719 28.002 16.109 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 76.693 51.621 57.191 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 76.050 52.221 56.812 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 77.005 52.068 57.977 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 69.303 89.160 -8.600 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 68.392 89.311 -8.855 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 69.601 88.459 -9.179 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 69.897 74.294 12.377 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 69.133 73.738 12.224 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 69.686 75.119 11.939 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 47.540 23.811 42.255 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 47.561 24.713 42.574 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 48.156 23.343 42.819 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 38.570 23.298 10.154 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 37.915 23.171 9.468 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 39.342 23.625 9.692 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 54.546 90.590 48.860 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 53.654 90.448 48.541 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 54.532 91.475 49.224 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 87.489 1.291 -3.589 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 86.575 1.248 -3.306 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 87.522 0.748 -4.377 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 35.151 92.126 49.657 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 34.312 91.667 49.618 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 34.918 93.035 49.851 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 33.396 44.948 34.919 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 32.516 44.952 35.295 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 33.466 44.098 34.482 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 42.379 37.701 54.929 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 42.931 36.954 54.698 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 42.072 38.041 54.089 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 71.731 77.262 55.556 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 72.219 76.455 55.719 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 71.601 77.277 54.608 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 45.881 52.073 51.888 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 46.493 52.024 51.154 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 46.086 52.903 52.317 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 61.017 90.093 59.230 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 60.493 89.560 58.633 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 61.708 90.462 58.679 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 55.949 85.854 17.353 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 56.259 86.756 17.270 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 56.107 85.629 18.269 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 26.234 56.959 28.410 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 25.429 57.102 27.912 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 26.596 56.148 28.053 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 48.177 13.969 -4.182 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 47.899 13.607 -3.341 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 49.013 13.541 -4.363 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 30.287 81.088 -0.924 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 31.239 81.183 -0.908 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 30.061 81.091 -1.855 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 31.917 36.530 55.033 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 30.962 36.561 54.982 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 32.100 36.098 55.867 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 29.547 83.223 33.379 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 28.756 82.891 33.803 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 30.039 82.437 33.140 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 69.169 71.987 50.499 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 68.235 72.055 50.300 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 69.567 71.685 49.683 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 30.450 31.558 9.107 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 30.169 32.382 8.710 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 31.113 31.813 9.748 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 48.358 45.180 10.136 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 48.137 45.377 11.046 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 49.309 45.283 10.092 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 22.330 53.358 46.116 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 22.093 52.487 46.434 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 22.434 53.883 46.909 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 21.764 21.354 54.906 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 21.483 21.561 55.798 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 21.281 21.969 54.354 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 46.282 68.102 2.555 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 46.544 68.349 3.442 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 45.897 67.231 2.653 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 87.839 10.435 41.344 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 87.579 9.886 42.084 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 88.768 10.613 41.492 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 68.267 12.219 5.553 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 68.034 13.125 5.756 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 68.179 11.756 6.386 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 57.403 81.635 22.804 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 56.470 81.847 22.823 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 57.436 80.723 22.515 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 30.440 23.821 16.044 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 29.622 23.404 16.317 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 30.687 24.374 16.785 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 44.924 19.797 62.467 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 44.352 20.443 62.052 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 45.776 19.929 62.052 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 74.870 35.759 2.777 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 74.143 35.240 3.121 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 75.236 35.223 2.074 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 71.906 1.203 64.268 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 72.243 0.797 63.469 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 71.434 0.500 64.714 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 66.487 60.322 -6.715 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 66.212 59.425 -6.906 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 65.706 60.739 -6.350 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 78.927 36.106 46.154 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 79.245 36.921 45.766 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 79.662 35.498 46.075 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 70.616 44.350 15.201 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 70.291 44.609 14.339 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 69.830 44.119 15.696 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 67.876 31.375 21.919 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 68.313 31.213 21.084 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 67.274 32.097 21.738 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 49.049 34.201 67.073 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 48.807 34.301 66.152 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 48.510 33.474 67.385 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 52.614 23.177 63.743 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 53.445 23.415 64.155 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 52.486 23.836 63.061 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 48.600 38.185 15.171 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 48.327 37.323 15.484 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 49.051 38.580 15.917 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 88.020 77.464 -14.274 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 88.584 77.042 -13.625 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 87.536 76.742 -14.676 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 80.318 79.331 35.971 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 79.661 79.457 36.657 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 80.666 78.454 36.131 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 50.727 8.101 14.782 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 51.297 7.525 15.291 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 49.973 7.556 14.558 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 25.609 37.882 28.274 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 24.975 38.522 27.952 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 26.455 38.207 27.966 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 63.160 27.164 57.997 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 62.899 27.018 58.907 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 62.374 27.513 57.576 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 24.615 42.683 27.403 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 24.171 42.094 26.792 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 24.145 42.571 28.229 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 41.700 0.009 45.548 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 41.054 0.709 45.637 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 42.518 0.462 45.346 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 20.497 71.088 9.437 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 20.907 71.794 9.936 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 20.110 71.524 8.678 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 63.769 39.720 -1.457 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 63.702 39.375 -2.347 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 62.997 39.374 -1.008 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 24.279 94.058 36.150 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 24.622 93.410 35.535 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 23.698 93.560 36.724 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 81.584 12.107 -16.051 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 80.936 12.489 -16.643 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 81.663 11.197 -16.336 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 24.545 30.482 52.956 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 24.805 30.344 52.045 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 23.960 31.239 52.926 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 25.011 47.580 32.104 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 24.797 48.340 31.562 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 25.080 46.855 31.483 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 81.282 30.425 54.936 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 81.061 29.700 54.352 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 80.654 31.113 54.714 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 77.662 40.230 4.932 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 77.619 41.067 5.395 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 78.064 39.630 5.560 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 65.641 74.339 2.395 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 65.470 74.970 3.094 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 64.938 73.695 2.476 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 28.857 76.047 -9.133 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 29.720 75.678 -9.321 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 28.913 76.954 -9.433 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 72.279 30.162 -18.618 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 71.519 30.338 -19.173 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 72.322 29.207 -18.566 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 51.306 32.581 35.683 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 51.204 32.000 36.437 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 50.741 33.328 35.878 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 67.906 60.383 -4.371 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 67.496 60.001 -3.595 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 67.333 60.129 -5.095 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 52.981 64.322 57.498 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 53.929 64.435 57.570 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 52.822 64.217 56.560 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 32.256 12.503 -6.453 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 32.143 12.274 -7.375 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 32.031 11.703 -5.977 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 38.939 66.206 14.528 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 39.481 66.374 13.757 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 39.465 65.616 15.067 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 40.214 82.585 19.053 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 40.719 81.931 19.537 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 39.982 82.149 18.233 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 55.694 3.176 -19.868 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 56.466 3.735 -19.957 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 55.604 3.040 -18.925 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 60.970 33.022 13.593 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 60.325 33.695 13.375 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 61.711 33.508 13.955 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 52.210 38.466 49.998 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 52.751 39.206 49.723 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 51.316 38.727 49.779 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 68.655 40.173 28.164 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 68.080 39.707 27.557 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 68.356 41.081 28.129 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 85.855 64.420 11.279 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 86.412 63.666 11.083 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 84.977 64.051 11.376 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 27.021 53.863 -17.782 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 27.942 54.110 -17.707 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 26.716 53.793 -16.877 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 27.391 73.438 62.256 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 27.458 72.956 63.080 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 27.353 74.358 62.518 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 67.060 81.950 -7.015 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 66.895 81.153 -6.511 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 66.234 82.434 -6.975 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 69.159 35.992 47.063 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 68.363 36.275 47.512 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 69.506 36.790 46.665 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 65.622 30.797 58.994 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 65.672 31.034 59.920 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 65.518 31.632 58.537 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 26.979 7.307 55.073 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 27.052 7.902 55.820 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 27.870 7.243 54.729 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 70.653 92.946 18.701 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 70.179 93.672 18.296 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 70.662 93.156 19.635 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 88.658 60.348 2.609 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 88.433 61.253 2.823 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 89.614 60.323 2.645 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 37.390 2.349 12.543 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 36.553 2.492 12.102 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 37.731 1.542 12.155 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 87.312 52.123 49.293 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 86.386 52.263 49.492 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 87.309 51.521 48.549 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 68.351 72.200 54.282 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 68.181 71.384 53.812 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 69.267 72.400 54.092 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 59.239 65.134 31.389 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 58.516 64.572 31.670 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 58.979 65.443 30.521 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 82.177 13.233 -3.921 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 81.680 13.937 -3.504 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 81.956 13.302 -4.850 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 29.502 32.218 49.788 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 30.157 32.668 50.321 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 28.672 32.627 50.032 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 82.607 43.738 31.171 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 81.789 43.973 31.608 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 83.062 43.177 31.799 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 89.384 7.880 51.140 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 89.447 7.391 50.319 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 88.470 8.162 51.181 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 30.021 44.184 51.672 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 30.057 44.942 52.255 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 30.937 43.993 51.469 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 58.712 61.276 27.921 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 58.145 60.700 27.408 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 58.156 61.584 28.637 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 31.360 94.428 4.605 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 31.090 94.369 5.522 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 30.541 94.376 4.111 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 66.977 36.957 28.213 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 67.869 36.648 28.374 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 67.084 37.702 27.621 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 83.579 35.053 61.584 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 83.901 35.947 61.702 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 82.710 35.160 61.198 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 59.678 69.089 35.164 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 60.277 68.430 34.813 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 58.805 68.746 34.974 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 38.779 68.013 35.305 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 39.587 67.887 35.803 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 38.966 68.754 34.729 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 86.565 33.959 18.945 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 86.486 34.020 19.897 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 87.284 33.344 18.803 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 44.152 26.862 -9.161 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 45.089 26.772 -8.984 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 43.945 26.125 -9.736 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 43.277 44.038 -5.943 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 43.001 44.931 -5.738 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 42.504 43.501 -5.765 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 68.666 11.214 -12.903 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 68.296 11.194 -12.021 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 69.236 11.983 -12.907 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 55.058 50.912 -15.990 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 54.934 50.929 -15.041 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 55.888 51.366 -16.133 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 54.280 61.168 22.433 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 54.277 60.309 22.011 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 53.997 61.774 21.748 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 32.892 21.395 46.952 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 33.703 21.573 47.428 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 32.533 20.614 47.372 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 77.212 93.021 53.341 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 76.659 93.717 53.695 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 78.069 93.431 53.224 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 38.135 89.057 41.691 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 38.677 89.811 41.920 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 37.253 89.302 41.971 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 48.647 81.398 60.686 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 49.450 80.921 60.474 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 48.255 80.900 61.403 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 63.342 8.465 42.898 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 63.299 8.760 41.988 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 62.701 9.007 43.357 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 82.565 18.516 0.572 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 83.363 18.521 0.043 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 82.688 19.229 1.198 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 61.782 46.486 37.282 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 62.099 46.222 36.419 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 60.873 46.189 37.306 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 70.691 33.362 41.934 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 70.132 32.646 42.233 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 70.543 33.404 40.989 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 21.311 56.157 12.936 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 21.483 56.751 13.667 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 20.357 56.091 12.901 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 86.871 15.747 55.888 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 87.121 16.395 55.229 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 87.201 16.103 56.713 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 28.522 22.663 31.101 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 27.632 22.762 30.762 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 28.959 22.098 30.465 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 52.689 37.484 8.766 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 52.583 36.909 9.524 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 52.004 38.145 8.869 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 61.294 9.200 51.255 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 62.194 9.266 51.573 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 61.207 9.919 50.630 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 61.886 19.740 38.073 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 61.066 19.359 37.757 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 62.529 19.519 37.400 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 47.977 30.606 65.978 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 47.942 31.326 65.348 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 47.950 31.035 66.834 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 44.898 75.457 32.064 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 45.240 74.592 31.839 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 44.985 75.509 33.015 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 49.855 25.835 -3.471 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 49.003 26.181 -3.737 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 49.763 25.663 -2.534 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 50.418 8.478 6.703 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 50.026 7.848 7.307 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 50.589 7.974 5.907 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 56.060 46.284 -4.174 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 56.567 46.769 -4.825 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 56.146 46.798 -3.371 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 31.338 1.601 50.500 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 31.396 1.951 49.611 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 32.175 1.831 50.904 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 66.411 2.520 39.090 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 66.680 2.973 38.291 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 67.163 1.973 39.320 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 74.258 61.647 54.200 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 73.776 62.346 53.759 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 75.172 61.928 54.168 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 44.006 15.958 24.218 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 44.077 15.585 23.339 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 43.904 16.898 24.072 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 45.080 17.841 58.158 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 44.732 17.131 58.698 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 45.794 18.210 58.677 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 23.341 31.809 5.983 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 22.556 31.436 5.582 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 23.792 31.059 6.370 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 24.255 92.902 50.944 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 25.133 92.861 50.564 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 24.403 93.116 51.866 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 46.014 79.100 28.077 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 46.369 78.219 27.960 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 46.779 79.674 28.029 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 82.494 60.988 -2.934 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 81.555 61.171 -2.958 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 82.839 61.587 -2.273 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 30.891 7.765 32.872 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 31.395 7.937 32.077 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 30.143 8.360 32.816 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 33.187 8.205 9.956 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 33.846 7.791 10.513 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 33.675 8.852 9.447 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 50.245 2.485 -16.505 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 49.615 1.790 -16.315 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 50.583 2.744 -15.647 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 50.042 1.516 8.356 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 50.876 1.139 8.076 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 50.223 1.883 9.221 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 74.631 52.468 34.696 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 73.820 52.620 34.210 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 75.298 52.352 34.020 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 70.517 17.730 36.945 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 70.966 18.530 37.216 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 70.891 17.045 37.500 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 83.450 23.260 -18.834 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 83.575 22.935 -17.943 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 84.280 23.683 -19.054 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 83.264 0.910 13.918 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 83.842 1.533 13.477 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 83.293 0.126 13.369 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 26.061 20.463 14.030 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 26.877 20.353 13.542 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 25.466 19.817 13.651 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 20.898 26.097 42.051 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 21.192 25.705 41.229 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 20.903 27.039 41.883 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 26.407 68.035 44.405 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 27.344 68.215 44.325 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 26.363 67.131 44.717 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 72.646 69.391 22.940 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 72.009 69.834 23.499 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 72.186 69.256 22.111 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 41.488 87.950 -13.377 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 41.232 87.393 -14.112 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 41.720 88.786 -13.779 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 25.861 56.165 -9.935 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 26.626 56.598 -9.556 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 25.411 56.855 -10.421 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 49.951 88.881 -18.525 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 49.758 88.117 -17.982 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 49.107 89.320 -18.630 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 62.822 14.490 25.016 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 63.742 14.671 25.208 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 62.464 15.334 24.738 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 47.935 65.906 -19.251 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 48.340 66.452 -18.578 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 47.880 66.474 -20.020 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 26.531 47.042 61.490 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 27.485 47.098 61.541 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 26.232 47.948 61.567 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 62.965 4.050 50.022 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 63.339 3.685 50.824 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 62.650 3.288 49.535 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 63.353 39.566 45.274 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 62.628 39.342 45.857 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 62.932 39.926 44.494 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 23.300 41.622 64.894 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 23.286 41.645 63.937 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 22.731 42.345 65.159 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 31.915 54.779 41.323 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 32.773 54.834 40.901 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 31.330 54.458 40.637 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 65.340 44.209 31.700 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 64.881 44.431 30.890 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 64.643 43.974 32.313 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 31.425 88.169 15.033 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 31.734 87.348 14.651 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 32.123 88.798 14.846 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 88.208 75.848 10.324 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 89.038 75.633 9.897 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 87.789 75.000 10.473 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 26.900 33.859 65.852 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 26.313 34.292 65.232 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 26.875 34.413 66.633 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 22.373 41.750 16.039 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 22.913 41.187 15.483 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 21.567 41.251 16.174 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 55.062 28.738 17.480 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 54.130 28.574 17.338 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 55.136 29.692 17.509 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 70.741 88.948 6.290 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 70.443 89.200 7.163 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 71.225 88.133 6.427 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 66.793 24.821 -13.227 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 66.342 25.631 -13.464 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 66.715 24.267 -14.004 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 28.018 78.836 9.821 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 28.766 79.295 10.204 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 28.012 77.983 10.255 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 82.699 68.337 31.079 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 83.033 67.829 31.818 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 81.749 68.332 31.194 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 76.808 40.158 53.781 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 76.130 40.101 54.454 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 76.995 41.094 53.706 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 86.740 41.987 55.951 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 86.847 42.369 56.822 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 86.607 42.739 55.374 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 42.424 91.876 5.580 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 43.099 91.245 5.331 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 42.209 92.330 4.766 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 84.090 28.340 -11.349 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 84.791 27.883 -11.814 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 84.062 29.209 -11.749 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 45.347 56.650 9.835 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 45.295 56.974 10.734 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 46.022 57.189 9.424 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 56.839 62.866 39.661 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 56.558 62.184 39.051 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 57.152 63.576 39.100 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 46.179 93.159 20.506 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 45.460 92.610 20.193 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 46.531 92.686 21.260 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 20.304 72.164 1.638 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 21.014 72.511 1.098 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 20.156 71.280 1.303 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 57.518 44.446 -15.785 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 58.287 44.875 -15.408 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 57.070 45.140 -16.268 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 80.284 32.357 46.521 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 80.678 33.229 46.554 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 80.222 32.087 47.437 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 86.831 10.835 56.881 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 86.990 11.607 56.339 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 86.781 10.109 56.259 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 71.477 33.573 30.017 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 71.633 34.259 30.667 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 72.126 32.900 30.220 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 89.615 83.172 24.427 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 89.460 83.798 25.134 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 88.928 82.513 24.535 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 86.389 33.219 41.936 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 86.134 34.070 42.291 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 86.503 32.661 42.706 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 90.212 47.119 36.989 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 90.578 46.412 36.458 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 90.131 47.856 36.383 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 47.763 69.319 -11.403 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 46.901 69.720 -11.289 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 47.619 68.619 -12.040 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 79.761 1.619 -4.578 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 80.231 2.360 -4.196 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 80.408 0.914 -4.610 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 26.385 59.754 35.480 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 26.240 59.700 36.424 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 27.325 59.917 35.391 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 61.989 78.927 45.489 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 61.327 78.906 44.798 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 61.485 78.989 46.301 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 76.135 62.673 22.158 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 75.863 62.240 21.349 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 75.942 62.038 22.847 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 89.783 68.753 21.531 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 88.915 68.359 21.440 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 90.389 68.013 21.482 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 45.545 41.936 57.908 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 45.234 42.800 58.177 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 45.873 41.537 58.714 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 65.537 79.576 -0.740 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 65.737 78.702 -0.404 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 65.446 80.119 0.042 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 54.771 22.163 57.200 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 55.722 22.192 57.095 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 54.448 22.891 56.668 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 88.163 44.648 30.917 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 87.500 43.958 30.929 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 88.088 45.038 30.046 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 73.584 55.520 21.447 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 72.656 55.338 21.599 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 73.591 56.357 20.981 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 78.924 32.647 35.966 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 79.565 33.292 36.266 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 78.398 32.452 36.741 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 42.020 31.162 4.643 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 42.117 32.073 4.922 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 42.841 30.743 4.901 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 38.867 34.954 10.397 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 39.517 34.729 11.063 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 38.063 35.113 10.891 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 35.231 79.518 19.116 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 35.206 79.369 20.061 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 34.330 79.373 18.827 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 59.359 30.792 56.108 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 59.525 30.474 56.995 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 58.407 30.885 56.060 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 64.386 11.105 24.507 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 65.253 10.881 24.844 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 64.551 11.788 23.857 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 60.528 61.376 57.438 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 60.511 60.600 56.879 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 59.829 61.229 58.075 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 76.781 36.832 66.260 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 76.136 36.215 66.604 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 76.481 37.024 65.371 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 38.175 46.919 10.685 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 39.131 46.879 10.708 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 37.930 46.370 9.940 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 59.497 82.825 45.159 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 60.083 82.589 44.440 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 58.699 82.323 44.993 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 86.429 6.579 38.363 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 86.681 5.666 38.501 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 85.563 6.530 37.958 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 42.534 15.439 45.989 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 41.961 14.948 45.402 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 42.061 16.253 46.162 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 41.966 3.942 49.039 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 41.969 3.093 49.480 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 42.592 3.842 48.322 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 38.530 91.981 8.476 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 38.186 91.088 8.452 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 39.380 91.923 8.040 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 31.074 51.911 38.439 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 30.288 52.112 38.947 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 30.748 51.459 37.661 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 29.492 37.145 65.194 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 29.025 37.597 65.897 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 28.957 37.298 64.415 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 44.553 25.345 -1.205 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 45.391 24.886 -1.270 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 43.972 24.869 -1.798 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 89.389 40.025 -8.612 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 89.623 39.585 -7.795 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 88.453 40.204 -8.528 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 44.562 9.405 11.343 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 44.925 9.263 10.469 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 43.618 9.291 11.232 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 21.381 47.602 30.530 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 21.671 48.514 30.506 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 20.593 47.586 29.988 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 83.367 81.547 48.313 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 83.869 82.096 48.915 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 83.918 81.480 47.533 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 44.528 56.871 17.306 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 45.055 57.616 17.017 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 45.167 56.225 17.605 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 78.325 36.398 -4.127 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 78.857 36.648 -4.883 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 78.787 36.769 -3.376 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 23.119 29.599 -12.254 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 24.032 29.660 -11.974 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 23.142 29.034 -13.026 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 71.461 40.633 10.377 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 71.706 41.421 9.892 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 70.505 40.614 10.337 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 70.091 95.915 18.543 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 70.886 96.310 18.186 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 69.834 96.497 19.258 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 27.218 4.407 -7.447 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 27.333 4.206 -6.518 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 26.493 3.848 -7.726 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 87.654 20.662 60.100 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 88.231 20.075 59.613 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 87.724 21.501 59.644 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 89.665 38.639 18.814 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 89.823 39.027 19.675 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 89.232 37.806 19.002 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 20.931 3.943 37.502 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 20.477 3.256 37.015 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 20.651 3.819 38.409 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 49.252 35.658 41.742 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 48.342 35.877 41.539 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 49.574 36.409 42.242 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 48.490 23.748 -10.676 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 47.920 23.172 -11.185 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 49.318 23.273 -10.613 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 34.985 53.769 55.808 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 34.408 53.009 55.731 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 35.462 53.793 54.979 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 61.049 33.290 56.926 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 60.284 33.855 56.821 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 60.809 32.477 56.481 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 48.835 37.414 -4.201 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 49.765 37.279 -4.019 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 48.736 38.364 -4.255 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 20.355 34.556 31.662 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 19.918 34.322 30.843 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 21.289 34.511 31.457 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 47.036 13.583 50.444 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 46.669 12.699 50.406 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 46.483 14.098 49.857 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 56.043 58.248 62.656 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 55.226 57.755 62.726 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 56.290 58.434 63.562 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 66.545 22.361 45.027 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 67.268 22.722 44.515 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 66.664 22.729 45.903 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 66.028 40.007 -12.511 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 66.738 39.700 -13.074 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 66.362 39.898 -11.621 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 40.390 75.892 31.296 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 40.686 76.490 31.983 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 40.544 75.019 31.656 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 73.853 65.020 29.837 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 73.343 65.821 29.715 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 73.230 64.391 30.200 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 29.357 10.969 50.537 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 29.866 10.180 50.349 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 29.739 11.642 49.974 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 49.418 79.757 43.437 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 49.020 80.029 44.264 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 48.683 79.454 42.905 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 22.027 36.178 36.915 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 22.321 36.613 37.715 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 21.802 35.290 37.193 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 71.428 50.675 16.609 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 71.314 49.891 17.145 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 70.623 51.175 16.740 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 87.170 21.606 35.555 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 86.995 21.814 36.473 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 87.936 22.134 35.331 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 73.426 42.502 23.140 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 74.162 42.222 22.596 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 72.750 42.763 22.514 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 53.579 94.341 -3.387 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 52.759 93.859 -3.495 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 53.652 94.871 -4.181 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 88.563 31.643 16.042 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 89.112 31.656 15.258 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 88.110 30.801 16.003 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 89.318 74.562 60.619 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 90.154 75.012 60.739 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 89.363 73.811 61.211 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 70.849 66.529 46.029 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 70.961 67.478 45.978 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 70.418 66.293 45.207 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 52.553 41.697 10.128 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 53.501 41.565 10.094 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 52.219 40.919 10.575 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 21.688 45.769 48.412 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 22.238 45.099 48.817 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 21.106 46.059 49.115 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 65.815 29.561 42.248 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 65.410 28.752 41.935 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 65.154 29.956 42.816 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 34.874 21.559 60.255 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 35.831 21.553 60.249 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 34.630 21.786 59.358 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 27.389 74.493 37.736 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 26.572 74.577 38.228 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 28.017 75.030 38.218 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 36.022 49.886 38.249 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 36.185 50.222 39.130 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 36.757 50.210 37.729 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 74.447 90.966 17.995 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 74.426 90.047 18.264 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 75.018 90.978 17.227 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 80.675 5.675 48.225 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 80.980 5.260 47.419 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 79.724 5.563 48.208 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 27.685 39.024 40.921 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 28.217 39.784 40.683 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 27.497 38.592 40.088 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 64.097 37.677 21.026 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 63.420 37.663 21.701 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 64.126 36.779 20.696 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 85.795 18.064 -10.264 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 86.231 17.351 -10.730 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 85.832 17.807 -9.343 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 60.139 85.827 15.804 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 60.229 85.415 16.663 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 59.931 85.104 15.212 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 42.279 80.848 29.835 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 43.106 81.072 30.262 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 42.521 80.208 29.165 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 48.867 38.472 42.735 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 48.190 38.554 43.408 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 48.400 38.598 41.909 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 33.645 69.728 41.741 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 33.998 68.978 42.220 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 34.286 69.894 41.050 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 69.324 21.923 50.478 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 68.912 21.065 50.380 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 68.614 22.499 50.765 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 31.923 48.920 33.272 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 31.069 48.499 33.171 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 32.555 48.206 33.181 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 34.296 86.482 -1.498 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 35.220 86.669 -1.332 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 33.865 86.643 -0.658 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 69.761 47.861 -12.664 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 70.655 47.704 -12.360 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 69.233 47.208 -12.205 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 30.760 38.073 -18.850 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 31.228 37.487 -18.255 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 30.909 38.948 -18.491 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 37.185 80.855 6.526 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 36.582 80.699 5.798 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 36.620 81.107 7.256 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 55.847 44.213 -12.336 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 56.458 43.497 -12.165 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 55.748 44.221 -13.288 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 61.126 14.862 42.954 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 60.351 14.493 42.530 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 61.482 15.476 42.312 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 87.441 70.747 2.862 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 88.161 70.637 3.483 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 87.868 70.990 2.040 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 47.394 19.589 52.667 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 48.111 18.981 52.486 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 46.846 19.555 51.884 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 34.149 61.097 -6.038 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 33.347 61.373 -5.595 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 34.797 61.758 -5.794 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 79.947 73.337 14.079 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 79.242 73.014 14.640 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 80.085 74.241 14.363 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 32.100 47.083 57.959 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 32.191 47.387 58.862 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 31.212 47.337 57.709 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 20.648 44.827 15.608 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 21.532 44.744 15.251 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 20.535 45.767 15.752 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 34.698 50.445 15.574 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 34.859 49.558 15.897 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 35.220 51.007 16.147 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 78.161 36.027 58.502 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 78.946 35.981 57.956 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 78.402 35.569 59.308 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 67.361 62.010 43.250 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 66.467 61.767 43.492 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 67.579 62.736 43.834 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 45.376 53.406 31.879 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 45.175 54.169 32.422 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 45.793 53.771 31.099 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 80.525 66.879 13.518 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 79.983 66.191 13.133 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 80.890 66.484 14.309 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 89.807 89.263 15.229 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 89.225 88.576 15.553 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 89.217 89.945 14.907 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 31.616 82.648 5.198 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 31.469 81.707 5.103 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 30.924 82.940 5.792 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 68.696 59.053 13.818 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 67.992 58.449 14.055 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 69.044 59.356 14.657 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 26.847 60.782 48.523 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 27.268 61.556 48.897 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 26.339 60.413 49.246 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 27.737 79.418 20.228 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 26.810 79.264 20.410 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 28.124 78.543 20.194 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 37.679 53.472 37.817 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 37.070 53.375 37.085 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 38.038 54.354 37.715 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 27.179 25.413 47.890 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 26.708 25.299 48.715 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 26.524 25.763 47.286 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 28.124 79.868 3.235 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 28.887 79.493 2.794 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 27.726 80.441 2.580 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 62.478 87.668 18.474 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 62.720 86.742 18.448 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 62.727 87.957 19.352 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 46.403 54.170 53.524 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 45.703 54.297 54.164 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 46.632 55.055 53.239 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 64.343 38.940 1.799 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 63.693 39.094 2.485 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 63.844 38.976 0.983 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 42.387 67.344 66.665 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 42.434 68.300 66.689 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 41.711 67.153 66.014 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 37.031 59.566 0.025 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 36.455 60.146 0.523 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 37.015 58.740 0.509 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 78.372 5.640 45.301 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 78.084 6.462 44.903 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 78.179 5.744 46.233 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 59.809 48.292 16.537 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 60.693 48.659 16.558 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 59.257 48.974 16.919 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 47.165 27.829 -17.263 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 47.773 27.091 -17.210 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 46.794 27.897 -16.384 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 22.805 95.651 62.726 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 21.911 95.826 62.432 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 22.710 94.969 63.391 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 25.032 76.236 -16.531 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 25.984 76.288 -16.610 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 24.802 75.402 -16.942 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 42.978 19.481 28.771 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 42.563 18.632 28.617 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 42.729 20.010 28.013 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 48.040 28.866 28.545 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 47.988 29.559 27.888 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 47.160 28.825 28.921 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 23.915 57.178 54.898 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 24.789 57.557 54.809 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 23.443 57.477 54.121 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 85.427 57.489 -8.895 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 85.598 56.563 -8.724 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 84.654 57.692 -8.369 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 57.748 57.718 24.619 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 57.410 58.139 23.828 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 56.969 57.532 25.143 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 28.592 56.528 54.808 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 28.292 56.293 55.686 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 28.644 57.483 54.820 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 83.138 55.548 2.274 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 83.799 55.495 2.964 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 82.349 55.856 2.721 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 30.957 74.109 2.480 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 31.450 74.876 2.187 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 31.015 74.137 3.435 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 88.178 88.637 -5.403 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 87.665 88.388 -4.634 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 88.774 87.902 -5.542 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 78.479 72.581 -5.347 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 78.873 73.219 -4.753 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 77.546 72.795 -5.345 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 51.223 22.889 65.974 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 50.421 23.389 65.820 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 51.802 23.136 65.253 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 81.906 23.621 47.072 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 81.209 23.170 47.548 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 81.978 24.473 47.501 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 57.435 82.268 42.014 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 57.417 81.972 42.924 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 57.647 81.482 41.510 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 79.092 82.500 -16.863 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 78.940 82.604 -15.924 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 78.321 82.891 -17.275 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 22.660 70.247 61.503 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 21.841 70.711 61.330 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 23.311 70.941 61.610 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 42.878 60.233 -4.227 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 42.410 60.485 -3.431 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 43.248 59.373 -4.027 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 54.130 66.807 20.377 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 54.381 67.062 19.490 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 54.329 65.872 20.424 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 87.469 38.829 15.873 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 86.891 38.435 15.220 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 87.558 38.160 16.551 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 37.444 22.042 60.711 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 37.934 21.336 61.133 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 38.099 22.719 60.539 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 45.192 38.080 15.359 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 45.591 38.108 16.228 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 44.332 37.685 15.503 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 71.881 45.707 33.125 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 70.991 45.597 32.792 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 72.083 46.630 32.971 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 45.103 2.236 51.936 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 45.840 1.920 51.414 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 45.171 1.756 52.762 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 74.143 83.052 27.238 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 73.594 82.980 26.456 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 74.405 82.152 27.431 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 33.340 57.619 -3.497 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 34.138 57.950 -3.085 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 32.631 58.089 -3.059 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 36.706 36.510 32.631 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 35.791 36.683 32.409 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 37.179 36.624 31.806 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 84.033 54.472 36.995 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 84.663 54.847 37.610 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 83.236 54.987 37.124 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 27.027 5.548 35.213 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 27.927 5.522 34.888 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 26.736 6.444 35.042 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 67.603 50.132 53.825 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 66.798 50.188 54.339 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 68.120 50.888 54.104 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 84.037 13.885 61.500 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 83.383 13.663 62.163 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 84.682 13.179 61.553 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 56.490 24.601 17.450 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 55.729 25.088 17.764 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 57.193 25.249 17.417 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 75.689 87.187 21.598 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 76.092 87.161 22.466 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 75.197 86.368 21.538 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 55.047 80.402 57.809 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 55.018 79.451 57.705 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 55.219 80.735 56.929 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 22.266 42.335 -14.322 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 22.207 41.963 -15.202 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 22.944 43.007 -14.390 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 57.088 44.866 4.012 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 56.234 44.620 3.658 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 57.158 45.805 3.840 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 50.885 70.961 -2.001 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 51.740 70.992 -2.431 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 51.087 70.881 -1.069 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 75.878 71.825 49.522 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 75.105 71.981 50.064 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 75.956 72.613 48.983 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 21.934 61.914 4.785 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 22.007 61.140 4.226 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 22.731 61.903 5.316 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 24.140 60.856 -19.987 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 24.755 61.276 -19.386 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 24.047 59.964 -19.652 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 24.315 25.718 30.386 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 24.371 24.785 30.180 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 24.877 26.142 29.738 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 79.907 73.445 21.243 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 79.957 73.557 22.192 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 79.341 72.683 21.121 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 46.104 28.889 30.822 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 46.635 29.487 31.348 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 45.835 28.205 31.435 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 50.812 21.597 -11.545 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 51.682 21.663 -11.938 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 50.580 20.672 -11.629 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 78.555 61.029 13.604 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 78.329 61.953 13.711 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 77.715 60.571 13.643 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 49.905 94.514 4.526 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 49.776 93.568 4.461 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 49.137 94.892 4.098 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 51.720 18.290 55.225 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 51.917 18.966 55.873 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 52.480 17.709 55.245 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 75.151 38.539 3.050 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 74.937 38.856 3.928 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 74.776 37.659 3.015 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 49.904 16.669 26.335 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 49.325 17.095 25.703 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 50.055 17.334 27.007 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 68.043 75.763 -11.972 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 68.641 75.598 -12.701 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 68.091 76.708 -11.831 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 57.375 67.711 -11.426 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 57.383 68.270 -10.649 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 58.295 67.639 -11.679 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 66.787 84.387 55.430 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 67.677 84.566 55.128 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 66.888 83.692 56.079 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 55.920 6.311 58.989 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 56.472 5.732 59.515 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 56.258 6.221 58.098 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 71.988 66.089 64.736 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 71.881 65.328 65.307 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 72.665 66.615 65.163 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 28.558 83.115 0.134 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 27.978 82.491 -0.303 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 29.419 82.697 0.113 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 88.638 24.421 10.661 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 88.454 24.366 9.723 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 89.407 23.864 10.787 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 80.038 42.104 40.528 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 80.882 42.428 40.843 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 80.118 42.113 39.574 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 22.084 44.239 61.180 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 21.247 43.795 61.316 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 21.930 45.136 61.477 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 36.840 40.087 -9.277 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 37.307 40.541 -9.978 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 36.889 40.684 -8.530 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 41.574 43.506 58.162 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 40.626 43.525 58.291 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 41.855 42.685 58.565 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 76.064 4.114 42.506 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 76.515 4.393 41.709 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 75.302 4.690 42.564 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 20.709 84.011 51.417 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 21.448 84.604 51.288 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 20.118 84.201 50.688 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 81.844 19.527 34.263 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 82.224 20.334 33.917 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 82.595 19.024 34.578 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 34.315 43.515 -3.819 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 35.207 43.830 -3.970 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 33.914 43.507 -4.688 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 44.295 61.052 -6.501 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 43.830 60.716 -5.735 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 44.933 60.371 -6.713 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 33.213 53.176 50.902 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 32.845 52.450 51.406 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 32.501 53.813 50.843 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 27.385 66.925 24.637 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 28.264 66.737 24.965 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 27.112 67.707 25.118 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 38.048 27.260 54.622 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 38.605 26.684 54.098 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 37.209 26.802 54.673 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 25.109 87.475 19.023 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 24.668 86.944 19.687 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 25.484 86.837 18.416 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 73.404 38.500 54.572 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 73.723 37.847 53.948 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 72.570 38.794 54.206 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 90.162 74.209 36.972 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 89.271 74.022 36.678 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 90.693 73.511 36.589 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 25.401 80.328 25.504 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 25.159 80.669 24.643 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 26.320 80.074 25.412 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 50.273 87.796 46.751 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 50.260 87.228 47.522 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 49.824 87.290 46.074 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 60.546 52.180 2.491 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 60.866 53.083 2.506 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 60.817 51.817 3.335 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 86.236 31.247 -5.917 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 86.305 31.621 -5.038 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 85.665 30.487 -5.811 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 39.605 31.360 66.482 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 38.793 31.610 66.924 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 39.950 30.637 67.005 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 47.181 22.933 -7.604 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 47.538 23.820 -7.642 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 47.923 22.366 -7.812 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 34.116 63.333 -10.899 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 33.618 63.482 -11.702 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 33.652 62.623 -10.456 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 33.991 47.446 11.842 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 34.394 46.809 12.433 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 34.692 48.069 11.649 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 36.104 68.493 -13.382 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 36.982 68.114 -13.430 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 35.515 67.739 -13.403 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 73.126 88.576 -18.770 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 72.224 88.895 -18.725 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 73.331 88.566 -19.704 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 46.474 58.699 49.909 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 46.226 59.085 49.070 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 46.092 57.821 49.893 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 69.762 86.610 39.853 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 70.542 86.117 39.599 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 69.377 86.100 40.566 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 31.360 39.853 35.700 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 30.658 39.968 36.342 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 31.743 39.002 35.913 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 39.896 50.922 -8.848 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 39.132 51.497 -8.909 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 39.989 50.746 -7.912 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 58.171 3.235 45.576 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 59.121 3.168 45.482 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 57.891 2.353 45.818 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 63.351 50.858 -12.685 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 63.813 50.535 -11.912 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 62.616 51.361 -12.333 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 61.626 94.559 45.428 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 60.904 93.980 45.673 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 62.403 94.001 45.460 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 59.333 37.968 47.239 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 59.087 37.388 46.519 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 60.094 38.447 46.912 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 68.884 17.989 57.314 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 69.389 18.539 57.912 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 67.971 18.195 57.511 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 26.804 38.513 7.880 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 27.090 38.678 8.778 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 27.258 39.175 7.359 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 30.602 64.828 23.325 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 31.417 64.736 23.818 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 30.872 64.797 22.407 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 60.673 6.421 58.794 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 60.145 7.023 59.319 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 60.163 5.612 58.771 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 29.588 34.851 -4.420 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 30.151 35.625 -4.404 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 29.211 34.847 -5.300 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 83.644 86.649 -4.177 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 83.899 85.780 -3.866 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 83.720 87.211 -3.406 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 31.226 0.947 9.352 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 30.381 0.942 8.904 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 31.869 0.834 8.652 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 47.025 5.062 25.673 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 46.613 5.917 25.798 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 46.520 4.654 24.969 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 26.946 82.716 -11.910 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 27.222 81.898 -12.323 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 27.583 83.364 -12.210 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 60.998 24.998 8.860 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 60.951 25.049 9.814 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 60.637 24.137 8.648 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 58.315 22.473 -0.639 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 59.052 22.786 -0.116 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 57.697 22.122 0.002 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 79.569 19.844 36.114 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 80.056 20.457 36.665 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 80.178 19.616 35.412 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 76.005 52.427 -18.614 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 76.391 52.434 -17.738 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 75.189 52.919 -18.521 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 78.437 5.746 -5.223 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 79.142 5.750 -4.576 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 78.852 6.043 -6.032 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 44.554 29.908 36.745 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 44.719 30.818 36.500 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 44.546 29.914 37.702 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 74.476 17.238 -10.289 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 73.689 17.026 -9.787 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 74.959 17.847 -9.731 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 40.442 49.118 -13.686 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 40.454 48.973 -12.740 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 40.456 50.071 -13.782 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 46.399 60.632 -12.745 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 46.312 59.850 -12.201 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 45.500 60.931 -12.883 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 90.105 22.157 51.445 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 89.869 21.252 51.650 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 90.523 22.106 50.585 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 39.310 44.063 7.386 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 39.927 44.195 8.105 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 39.236 43.112 7.304 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 59.131 41.540 38.313 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 58.502 42.222 38.078 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 59.966 41.852 37.962 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 79.025 11.164 -12.425 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 79.687 11.224 -11.736 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 78.470 10.429 -12.161 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 22.218 91.214 23.039 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 22.025 91.481 22.140 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 22.105 90.264 23.037 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 67.851 15.140 40.237 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 67.108 14.698 40.648 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 68.473 15.278 40.952 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 72.661 46.683 63.901 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 71.833 47.152 63.795 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 73.294 47.363 64.132 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 87.405 50.464 46.964 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 87.210 49.530 47.030 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 88.149 50.512 46.364 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 31.099 56.561 65.746 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 31.283 55.967 66.474 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 31.656 57.322 65.910 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 76.200 76.899 -13.469 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 76.274 77.433 -12.678 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 75.260 76.746 -13.568 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 34.435 16.533 63.494 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 34.821 15.706 63.206 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 33.613 16.596 63.007 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 30.658 52.765 -19.365 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 30.171 53.535 -19.073 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 31.578 53.004 -19.247 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 44.515 66.227 -1.192 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 45.424 66.367 -1.459 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 44.463 65.291 -1.000 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 29.600 25.002 60.002 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 28.984 25.686 59.742 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 30.397 25.475 60.242 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 71.739 30.571 10.482 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 71.621 30.903 11.373 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 72.637 30.240 10.467 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 82.276 20.470 -5.311 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 82.547 19.868 -6.005 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 81.330 20.559 -5.427 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 89.327 90.018 0.088 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 89.666 90.164 0.971 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 88.715 90.740 -0.057 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 33.689 63.031 -3.222 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 33.639 62.670 -2.337 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 32.983 63.677 -3.257 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 26.813 25.326 44.472 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 27.198 26.091 44.045 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 26.463 25.662 45.297 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 37.545 29.279 32.596 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 37.494 30.171 32.252 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 37.517 29.386 33.547 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 71.323 50.578 -4.539 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 70.639 51.187 -4.262 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 71.047 49.731 -4.189 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 59.473 29.358 17.639 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 58.850 29.927 17.186 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 59.688 29.831 18.443 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 28.691 3.426 15.412 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 28.084 3.885 14.831 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 29.549 3.550 15.008 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 23.277 74.117 5.083 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 22.995 74.969 5.414 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 23.913 74.325 4.398 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 66.197 14.998 67.243 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 65.561 14.350 66.940 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 66.037 15.766 66.695 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 24.920 24.158 62.079 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 23.992 24.392 62.095 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 25.376 24.975 62.279 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 71.171 27.271 1.414 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 71.388 26.451 0.971 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 71.783 27.316 2.149 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 49.505 86.219 44.602 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 48.705 86.165 45.126 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 49.765 85.307 44.466 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 39.385 46.337 -18.718 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 39.800 47.162 -18.467 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 40.099 45.809 -19.076 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 75.988 58.103 -19.345 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 76.679 58.749 -19.492 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 75.530 58.046 -20.184 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 70.990 86.195 -17.700 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 70.642 86.342 -16.821 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 70.379 86.649 -18.280 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 29.997 94.344 7.114 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 29.077 94.252 6.866 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 30.001 94.239 8.066 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 66.819 58.918 -2.224 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 66.996 58.113 -1.737 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 66.135 59.358 -1.719 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 83.635 24.228 -1.168 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 84.409 24.657 -1.532 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 83.694 23.324 -1.477 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 76.938 89.207 38.588 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 76.463 88.931 37.805 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 76.265 89.280 39.265 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 78.566 16.295 -14.424 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 79.041 15.468 -14.502 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 78.047 16.200 -13.626 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 73.778 50.403 36.411 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 73.675 51.083 35.745 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 72.905 50.019 36.498 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 57.719 11.150 -7.079 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 57.149 10.516 -7.514 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 58.606 10.832 -7.249 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 67.054 33.031 12.635 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 67.327 33.910 12.899 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 66.262 33.171 12.116 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 49.389 2.202 65.537 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 48.788 2.786 65.074 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 49.508 2.610 66.395 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 27.498 53.368 54.136 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 27.063 53.659 54.938 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 28.112 52.693 54.427 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 81.519 17.750 -1.979 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 81.127 18.553 -2.323 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 81.883 18.005 -1.131 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 76.206 30.049 0.549 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 75.733 29.932 -0.275 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 75.544 29.915 1.227 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 81.263 40.203 28.485 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 81.046 40.337 27.563 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 81.603 41.049 28.777 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 37.454 14.463 -9.052 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 36.589 14.053 -9.053 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 37.307 15.335 -8.687 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 22.627 22.470 41.923 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 21.752 22.709 42.228 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 22.566 22.505 40.968 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 85.627 44.620 43.014 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 85.526 43.798 43.493 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 86.434 44.509 42.512 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 28.625 33.518 27.739 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 28.475 34.121 27.011 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 28.435 32.652 27.375 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 78.782 37.715 3.335 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 78.180 37.145 3.814 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 79.553 37.777 3.899 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 47.562 56.250 -6.189 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 47.957 57.111 -6.325 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 48.276 55.631 -6.345 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 23.494 87.758 4.336 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 22.852 88.448 4.504 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 24.226 88.208 3.915 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 60.548 24.785 11.716 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 59.730 25.254 11.878 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 60.896 24.600 12.588 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 81.521 68.731 -17.488 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 81.846 69.118 -18.301 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 80.621 69.049 -17.414 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 37.589 14.783 64.807 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 37.091 14.810 63.989 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 37.724 13.851 64.975 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 74.453 38.659 61.162 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 74.831 38.019 60.559 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 73.886 38.142 61.735 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 72.350 44.881 54.783 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 71.491 44.521 55.005 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 72.185 45.441 54.025 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 50.224 41.776 12.160 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 50.019 42.709 12.223 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 50.492 41.529 13.045 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 67.255 9.362 24.427 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 68.030 8.898 24.111 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 66.719 8.682 24.837 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 32.196 49.792 46.158 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 31.916 50.616 46.557 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 33.124 49.721 46.381 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 55.209 86.027 -13.178 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 55.325 85.171 -12.766 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 56.095 86.383 -13.246 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 35.098 65.775 -13.256 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 34.650 64.972 -13.521 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 34.711 65.997 -12.409 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 36.572 16.772 -7.286 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 37.073 16.340 -6.593 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 35.694 16.398 -7.216 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 49.913 30.468 43.649 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 49.375 31.194 43.333 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 50.575 30.345 42.968 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 78.476 85.851 56.319 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 78.999 85.114 56.635 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 77.755 85.445 55.839 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 88.675 69.293 -16.263 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 89.532 69.029 -15.928 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 88.054 68.986 -15.602 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 64.003 74.141 45.897 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 64.365 73.395 45.420 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 63.538 74.649 45.231 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 71.522 11.640 53.014 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 71.049 10.913 52.609 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 71.402 12.371 52.408 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 32.820 33.382 9.444 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 32.130 33.781 8.914 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 33.375 32.924 8.813 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 73.852 55.203 38.541 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 73.064 55.742 38.473 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 74.020 54.909 37.646 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 47.025 42.959 44.556 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 47.873 43.377 44.708 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 46.981 42.846 43.607 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 25.761 24.658 3.852 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 24.963 25.136 3.629 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 26.080 25.081 4.649 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 41.978 51.145 48.560 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 42.336 51.857 48.030 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 42.448 51.205 49.391 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 40.655 61.278 61.503 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 41.286 61.996 61.545 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 40.921 60.769 60.737 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 48.108 57.866 -19.258 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 47.663 57.603 -18.453 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 48.106 58.823 -19.231 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 75.961 74.728 29.700 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 75.507 74.399 30.476 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 76.443 73.972 29.365 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 41.249 36.072 39.455 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 41.336 35.862 38.525 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 41.655 36.934 39.545 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 55.077 71.065 -10.514 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 54.223 71.362 -10.201 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 55.218 70.229 -10.070 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 50.125 94.901 43.078 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 49.658 95.597 42.618 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 49.865 94.098 42.627 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 23.180 62.939 -1.497 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 22.364 63.437 -1.448 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 23.035 62.185 -0.926 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 53.041 82.636 5.788 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 53.043 81.681 5.724 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 53.079 82.814 6.728 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 53.165 66.923 29.761 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 52.351 66.501 29.490 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 53.855 66.384 29.374 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 56.315 35.335 46.996 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 57.102 35.687 46.581 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 56.499 35.378 47.935 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 33.962 70.324 1.250 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 34.240 69.852 2.035 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 33.030 70.494 1.391 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 43.756 58.355 14.595 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 43.296 58.679 15.369 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 44.609 58.787 14.623 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 85.541 71.298 -14.445 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 85.998 70.622 -14.945 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 84.647 70.967 -14.356 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 35.282 16.625 -14.151 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 34.681 15.912 -13.937 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 36.152 16.266 -13.976 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 48.460 22.485 40.046 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 48.201 22.948 40.843 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 48.026 22.962 39.340 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 80.896 46.501 30.175 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 80.842 46.493 31.131 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 81.322 47.332 29.966 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 58.820 1.195 62.724 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 59.571 1.230 63.316 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 58.641 0.261 62.617 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 60.994 49.690 42.522 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 61.350 50.213 41.804 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 61.764 49.394 43.008 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 68.656 60.932 40.850 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 68.062 61.212 40.154 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 68.354 61.402 41.627 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 68.056 5.802 54.805 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 67.591 5.184 54.241 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 68.821 6.065 54.293 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 79.149 94.382 38.917 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 78.232 94.381 38.641 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 79.630 94.063 38.154 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 43.157 69.760 2.906 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 42.646 69.145 3.432 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 43.792 70.130 3.520 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 73.201 34.905 -4.963 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 73.995 35.277 -4.580 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 72.869 35.591 -5.542 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 76.512 1.884 -17.904 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 76.778 2.514 -18.573 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 75.835 2.337 -17.402 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 35.062 66.003 8.961 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 34.608 66.654 8.427 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 35.944 65.960 8.589 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 55.134 38.364 -5.282 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 56.007 38.754 -5.330 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 54.774 38.684 -4.455 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 37.462 66.292 25.359 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 38.085 65.991 26.021 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 37.989 66.816 24.755 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 24.389 72.714 48.709 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 23.853 72.473 47.953 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 25.087 72.059 48.727 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 49.099 69.822 -7.681 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 49.322 68.891 -7.691 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 48.251 69.870 -8.123 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 34.118 20.079 62.719 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 33.330 20.475 63.092 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 34.272 20.569 61.911 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 81.132 54.413 34.401 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 81.694 55.187 34.424 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 80.661 54.433 35.234 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 53.292 20.162 8.852 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 53.899 19.971 8.137 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 53.586 21.006 9.196 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 86.581 85.709 23.658 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 86.023 85.563 24.422 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 86.970 86.571 23.806 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 41.167 58.367 64.522 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 40.316 58.514 64.111 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 41.329 59.162 65.030 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 87.864 69.366 47.676 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 87.064 68.977 47.322 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 88.440 69.461 46.918 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 56.469 84.452 30.490 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 56.938 83.997 29.790 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 56.009 83.758 30.961 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 90.005 15.865 47.054 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 90.528 15.900 47.854 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 90.634 16.018 46.349 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 86.888 18.109 -17.811 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 87.564 17.627 -17.335 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 86.887 18.979 -17.411 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 87.934 37.673 8.673 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 87.275 37.074 8.324 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 88.332 38.070 7.897 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 28.345 37.993 -16.523 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 28.862 38.783 -16.366 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 27.435 38.284 -16.459 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 23.110 27.171 -13.579 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 23.228 27.441 -14.490 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 23.631 26.372 -13.496 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 61.379 95.545 1.497 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 62.152 94.981 1.532 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 60.672 94.965 1.213 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 64.478 0.768 -2.985 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 63.680 1.195 -3.296 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 65.024 1.486 -2.664 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 85.309 80.909 36.651 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 85.938 80.412 36.128 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 85.059 80.312 37.356 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 63.252 11.129 20.140 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 63.412 10.363 20.692 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 63.448 11.877 20.704 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 22.060 9.757 -2.393 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 22.463 9.885 -1.535 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 22.381 10.489 -2.921 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 26.865 4.376 13.725 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 27.068 4.705 12.849 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 26.078 4.857 13.985 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 54.290 50.277 42.975 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 54.450 49.347 42.815 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 54.668 50.441 43.838 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 37.901 10.307 0.259 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 37.594 10.649 -0.581 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 38.812 10.062 0.099 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 20.831 8.246 54.296 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 20.035 7.726 54.184 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 21.462 7.639 54.682 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 52.928 90.488 63.501 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 52.696 89.883 64.205 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 53.107 91.317 63.946 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 61.436 19.379 51.649 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 60.754 19.879 52.099 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 61.289 19.557 50.720 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 69.256 32.266 -6.114 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 70.046 32.243 -6.655 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 68.644 32.812 -6.608 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 58.593 13.983 36.185 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 58.062 14.730 36.462 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 58.342 13.835 35.274 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 83.311 74.455 6.495 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 82.850 74.953 7.169 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 83.065 73.544 6.659 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 80.023 62.925 33.367 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 80.626 62.709 34.079 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 80.126 63.869 33.244 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 74.580 73.794 38.894 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 73.963 73.329 39.460 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 75.423 73.374 39.062 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 45.932 0.886 62.860 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 45.806 1.141 63.774 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 46.584 0.186 62.894 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 31.862 14.510 -4.402 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 31.940 13.781 -5.018 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 32.505 14.317 -3.720 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 66.014 36.149 56.689 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 66.279 36.826 57.312 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 65.087 36.323 56.525 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 79.837 19.536 49.697 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 78.896 19.382 49.613 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 80.239 18.704 49.448 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 60.250 14.900 1.428 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 60.182 14.300 0.686 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 59.730 15.661 1.169 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 78.057 92.420 33.963 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 77.886 91.693 33.364 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 78.781 92.115 34.510 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 80.114 52.673 27.418 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 79.280 52.224 27.558 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 79.986 53.542 27.799 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 38.687 42.131 67.192 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 38.498 43.069 67.165 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 38.671 41.856 66.276 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 23.854 5.180 39.335 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 24.458 4.666 39.870 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 23.676 4.625 38.575 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 66.877 32.825 37.149 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 66.738 31.910 36.905 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 66.408 33.325 36.480 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 50.946 62.791 58.566 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 51.516 63.499 58.266 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 51.270 62.013 58.112 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 26.919 90.772 61.254 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 26.752 91.715 61.243 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 27.678 90.656 60.683 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 25.333 14.862 64.612 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 25.941 14.295 65.085 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 25.517 15.741 64.942 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 42.037 40.363 62.598 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 42.352 40.889 63.333 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 42.824 40.162 62.092 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 38.961 40.290 32.219 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 39.708 40.867 32.383 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 38.650 40.542 31.350 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 65.254 78.112 -17.816 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 65.165 77.529 -18.570 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 66.176 78.041 -17.566 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 67.231 66.420 60.755 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 67.827 65.888 60.228 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 67.753 67.178 61.016 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 25.399 81.164 7.215 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 24.814 80.729 7.836 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 25.810 80.448 6.731 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 52.448 17.701 -8.460 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 53.075 17.867 -7.757 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 52.355 16.748 -8.478 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 61.497 68.271 33.141 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 60.762 68.637 32.649 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 61.507 67.344 32.904 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 26.389 8.507 46.135 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 25.994 9.361 46.308 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 26.497 8.481 45.184 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 55.545 87.160 -20.075 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 55.158 86.534 -19.463 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 56.031 87.770 -19.520 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 61.881 25.701 48.772 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 61.525 25.474 47.913 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 61.146 25.584 49.375 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 35.148 27.056 19.238 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 35.266 26.474 18.486 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 34.202 27.079 19.377 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 79.477 21.504 0.948 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 80.067 20.907 1.408 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 79.146 22.088 1.631 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 75.681 42.954 32.892 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 74.728 43.031 32.847 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 76.006 43.769 32.509 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 43.284 34.838 -12.223 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 42.457 35.074 -12.643 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 43.056 34.700 -11.304 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 25.427 41.601 39.879 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 25.209 40.802 39.399 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 24.590 42.053 39.986 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 39.193 17.310 31.762 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 38.428 17.874 31.652 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 38.884 16.436 31.521 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 43.196 34.484 -16.280 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 43.696 35.233 -16.605 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 43.770 34.075 -15.632 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 44.433 18.618 36.611 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 44.767 18.318 35.766 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 44.995 19.356 36.843 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 61.680 49.598 1.720 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 60.890 50.116 1.873 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 62.186 49.689 2.527 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 42.653 48.064 42.370 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 43.097 48.721 41.834 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 41.979 48.554 42.842 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 79.190 72.884 27.610 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 78.395 72.701 28.110 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 79.879 72.407 28.073 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 31.944 57.479 42.000 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 31.729 56.566 41.811 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 32.764 57.436 42.492 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 46.503 30.658 53.146 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 46.049 31.101 53.863 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 47.308 31.161 53.025 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 74.634 69.195 60.099 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 74.182 68.794 60.842 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 73.946 69.344 59.451 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 76.794 51.036 12.875 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 76.269 51.820 13.034 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 76.334 50.340 13.344 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 89.622 37.246 53.482 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 89.370 38.042 53.013 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 89.727 37.527 54.391 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 36.854 74.067 8.492 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 36.221 73.422 8.176 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 37.651 73.886 7.992 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 74.507 29.636 2.764 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 74.521 30.275 3.476 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 73.889 28.965 3.056 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 46.882 15.022 47.677 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 47.327 14.183 47.556 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 46.377 15.143 46.873 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 77.731 45.424 -8.790 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 77.238 45.725 -8.027 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 78.405 44.848 -8.429 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 54.014 33.406 36.036 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 53.075 33.288 35.893 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 54.236 34.192 35.537 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 67.353 39.819 65.056 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 67.382 40.406 64.301 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 68.272 39.652 65.266 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 72.996 68.514 13.293 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 73.388 67.977 13.982 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 72.600 67.882 12.693 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 82.803 78.723 12.883 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 83.447 78.508 13.558 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 83.267 78.585 12.057 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 25.803 48.482 53.954 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 25.265 48.539 53.164 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 25.562 47.644 54.349 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 67.963 15.969 -4.683 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 67.385 16.182 -5.415 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 68.844 16.011 -5.053 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 33.935 95.148 15.655 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 33.065 94.879 15.359 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 34.082 95.993 15.230 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 86.628 15.806 51.055 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 87.060 16.496 51.559 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 86.320 16.245 50.262 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 72.831 57.302 11.182 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 72.710 58.209 10.903 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 71.968 57.030 11.495 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 65.045 56.545 0.216 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 64.983 55.718 0.693 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 64.523 57.160 0.731 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 25.956 40.519 60.100 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 25.838 41.438 60.337 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 25.380 40.041 60.697 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 48.556 90.732 18.476 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 48.453 91.684 18.497 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 49.273 90.555 19.084 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 82.774 64.187 48.539 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 83.270 63.398 48.758 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 81.903 64.033 48.907 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 68.299 63.365 60.518 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 68.866 62.619 60.713 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 68.611 64.061 61.096 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 37.274 63.377 40.708 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 37.226 63.574 39.772 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 37.892 64.020 41.056 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 46.438 4.539 -7.423 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 45.713 4.046 -7.039 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 46.212 4.615 -8.350 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 34.350 62.179 62.727 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 34.376 62.084 63.679 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 34.746 61.374 62.394 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 49.303 38.426 35.983 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 49.864 38.924 35.388 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 48.871 37.781 35.423 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 24.427 16.504 -10.811 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 23.639 16.653 -11.333 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 24.925 15.856 -11.308 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 31.026 65.437 3.968 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 31.218 64.500 3.952 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 31.277 65.719 4.847 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 22.859 72.626 51.144 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 23.295 71.840 51.474 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 23.422 72.932 50.433 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 53.509 14.971 27.804 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 53.962 15.814 27.819 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 53.141 14.911 26.922 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 23.212 95.200 3.703 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 24.001 95.356 4.222 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 22.883 96.075 3.498 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 23.555 1.899 63.275 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 23.444 0.962 63.110 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 24.311 2.149 62.744 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 37.190 27.084 4.029 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 37.817 27.794 4.170 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 36.387 27.526 3.752 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 89.991 59.071 60.305 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 89.813 58.132 60.356 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 90.865 59.130 59.921 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 62.043 10.609 -19.474 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 61.632 9.781 -19.226 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 62.536 10.874 -18.697 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 64.303 47.620 31.424 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 63.926 46.869 30.965 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 64.092 48.371 30.868 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 85.399 76.959 48.780 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 85.034 77.833 48.916 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 85.041 76.678 47.938 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 78.281 61.892 63.133 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 77.782 61.276 62.596 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 78.586 61.371 63.876 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 76.681 61.975 32.988 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 76.547 61.887 33.932 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 77.602 62.220 32.899 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 77.224 65.872 51.534 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 77.979 65.787 50.952 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 76.493 66.074 50.951 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 45.153 63.118 3.010 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 45.402 62.284 3.409 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 45.209 63.752 3.725 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 61.219 87.638 -11.139 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 60.561 88.331 -11.185 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 61.266 87.412 -10.210 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 67.260 51.894 60.304 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 68.071 52.040 59.817 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 66.602 52.404 59.831 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 22.560 25.770 47.607 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 22.028 25.439 46.884 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 22.750 24.997 48.138 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 88.228 45.588 63.174 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 87.448 45.890 62.709 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 87.990 45.639 64.100 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 25.020 58.012 12.098 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 25.122 58.226 13.025 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 25.910 57.839 11.792 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 35.736 25.980 -14.208 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 35.101 26.399 -14.790 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 35.242 25.284 -13.774 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 61.748 81.730 59.380 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 61.624 81.484 58.463 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 61.028 82.331 59.567 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 89.044 63.296 -15.121 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 89.876 63.547 -14.721 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 89.043 62.339 -15.092 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 59.831 27.512 -13.683 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 59.699 26.893 -12.965 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 59.168 28.188 -13.541 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 47.252 29.364 41.011 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 46.924 29.334 41.910 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 46.786 30.098 40.610 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 40.505 18.561 35.731 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 40.760 18.900 34.873 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 39.875 17.867 35.538 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 63.148 17.935 26.243 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 62.769 17.613 25.425 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 62.462 18.481 26.627 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 73.918 36.790 14.603 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 73.233 36.995 15.240 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 74.728 36.792 15.114 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 79.073 45.915 -5.785 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 78.851 45.238 -5.146 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 79.089 46.727 -5.278 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 79.135 27.064 8.263 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 80.000 27.348 7.967 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 79.311 26.518 9.030 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 44.307 12.884 60.622 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 43.382 13.128 60.642 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 44.389 12.313 59.859 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 58.463 79.076 33.788 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 58.069 78.370 34.301 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 59.383 78.824 33.700 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 49.692 68.390 27.757 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 49.205 67.609 28.021 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 49.681 68.367 26.800 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 29.203 7.765 15.347 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 30.051 7.367 15.151 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 29.224 7.921 16.292 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 78.677 84.215 25.556 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 77.853 84.251 26.042 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 78.535 83.541 24.891 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 82.558 55.696 9.481 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 82.362 55.529 10.403 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 81.939 55.147 9.000 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 41.334 41.340 38.070 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 41.312 40.395 38.225 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 41.925 41.446 37.324 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 24.304 91.952 6.997 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 23.689 92.392 7.584 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 24.899 91.482 7.580 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 29.991 79.794 60.197 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 30.901 79.571 60.398 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 29.717 79.132 59.562 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 88.230 55.101 -2.171 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 87.707 54.313 -2.024 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 87.641 55.824 -1.952 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 65.604 34.202 62.193 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 65.490 33.258 62.085 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 65.094 34.588 61.480 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 38.221 2.185 34.057 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 38.511 2.716 33.316 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 39.019 1.765 34.379 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 35.841 3.872 6.160 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 35.109 3.340 6.473 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 36.460 3.883 6.890 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 32.734 50.455 59.217 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 32.844 51.168 59.846 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 32.913 49.661 59.721 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 24.328 41.486 50.638 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 24.166 40.961 51.422 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 24.423 40.844 49.934 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 34.758 36.904 3.620 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 34.657 36.371 4.408 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 34.814 37.803 3.944 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 76.436 58.262 -2.031 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 75.498 58.435 -2.111 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 76.836 58.787 -2.724 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 57.451 23.143 57.294 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 58.035 23.386 58.012 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 56.860 23.890 57.202 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 37.518 82.115 -11.667 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 37.289 81.826 -10.784 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 38.444 81.891 -11.759 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 59.925 22.529 9.150 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 59.350 22.103 9.786 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 60.795 22.179 9.339 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 49.875 6.092 64.291 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 50.305 5.251 64.135 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 50.385 6.721 63.780 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 80.878 84.168 42.671 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 80.861 84.257 41.719 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 81.707 83.727 42.856 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 88.058 24.194 48.769 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 87.971 23.431 49.340 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 88.473 24.859 49.319 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 23.895 29.258 8.018 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 23.555 28.363 8.006 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 23.422 29.686 8.731 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 29.785 68.031 11.827 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 30.105 67.189 12.149 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 30.289 68.683 12.314 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 85.244 31.271 35.494 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 85.262 31.994 34.867 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 85.292 30.483 34.954 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 70.034 57.295 12.449 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 69.628 58.125 12.699 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 69.606 56.643 13.003 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 24.820 11.738 29.514 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 24.185 11.615 28.808 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 25.607 12.061 29.075 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 80.757 38.266 34.571 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 79.806 38.201 34.661 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 81.101 37.620 35.187 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 54.764 43.274 32.318 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 54.092 42.665 32.010 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 54.517 44.117 31.938 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 62.606 68.911 -17.964 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 63.056 68.207 -18.431 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 61.931 68.467 -17.452 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 69.032 64.199 -15.655 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 68.756 64.218 -16.571 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 68.389 63.638 -15.222 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 25.229 1.677 38.513 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 24.411 1.810 38.992 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 25.525 2.561 38.295 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 40.773 27.272 56.241 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 39.819 27.346 56.220 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 40.950 26.662 56.957 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 72.390 69.608 57.997 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 72.750 70.101 57.259 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 71.568 69.245 57.665 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 84.271 54.350 60.157 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 83.897 55.133 59.753 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 84.555 54.639 61.024 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 79.289 4.498 57.178 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 78.532 4.036 56.817 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 78.932 5.323 57.507 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 56.581 45.977 56.647 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 56.914 46.836 56.386 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 57.149 45.709 57.370 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 26.109 40.035 56.926 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 25.457 40.367 56.309 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 25.777 40.290 57.787 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 24.412 78.144 3.659 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 23.790 78.808 3.360 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 24.577 77.605 2.886 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 35.932 87.669 -8.966 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 36.017 87.657 -8.013 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 36.230 88.541 -9.223 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 35.013 17.353 42.776 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 34.172 17.010 43.078 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 34.883 17.519 41.842 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 89.591 72.674 -11.762 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 90.150 72.750 -10.990 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 88.986 71.962 -11.551 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 55.555 36.959 55.235 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 55.134 37.811 55.348 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 55.416 36.510 56.069 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 68.303 32.953 27.239 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 67.614 33.414 26.760 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 68.402 32.121 26.775 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 63.504 14.809 52.069 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 63.386 15.213 52.929 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 64.134 14.104 52.219 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 70.923 23.831 8.881 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 70.912 23.241 8.128 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 70.681 24.684 8.520 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 35.719 77.197 51.761 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 35.841 77.996 51.249 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 36.577 76.772 51.750 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 52.692 88.444 9.787 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 52.858 88.466 10.729 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 52.697 87.514 9.563 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 58.814 77.475 60.838 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 59.603 78.005 60.952 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 59.085 76.588 61.078 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 26.543 7.097 -7.687 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 26.927 6.221 -7.689 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 25.879 7.070 -8.376 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 54.404 92.998 59.352 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 53.905 93.239 58.571 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 55.230 92.654 59.012 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 50.358 81.568 -0.572 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 50.080 80.671 -0.758 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 51.213 81.473 -0.154 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 90.597 77.220 -15.696 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 89.787 77.310 -15.194 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 90.442 77.724 -16.495 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 25.380 23.243 -3.655 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 26.247 23.199 -4.059 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 25.488 22.808 -2.809 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 30.449 78.154 -6.271 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 29.619 78.564 -6.031 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 30.696 77.642 -5.501 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 20.891 13.259 -0.482 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 21.303 13.807 -1.151 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 20.866 12.385 -0.870 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 21.830 15.517 37.847 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 21.273 16.147 37.390 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 21.253 14.777 38.035 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 29.337 33.422 63.951 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 29.316 33.629 63.017 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 28.417 33.324 64.196 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 38.407 25.225 36.364 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 39.268 25.309 35.955 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 37.867 25.881 35.924 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 54.080 6.454 -11.194 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 53.921 5.510 -11.221 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 55.033 6.535 -11.149 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 29.053 37.196 25.406 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 28.830 37.582 24.559 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 28.905 36.258 25.288 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 24.199 0.397 29.940 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 23.549 -0.233 29.630 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 23.709 0.983 30.517 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 38.935 26.595 8.011 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 37.996 26.634 7.829 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 39.338 27.091 7.298 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 90.328 95.059 62.084 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 90.637 95.043 61.179 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 89.590 95.669 62.075 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 35.889 25.879 12.501 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 36.304 26.083 13.338 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 35.825 24.924 12.491 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 57.379 59.585 52.662 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 57.524 58.865 52.048 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 57.085 59.159 53.467 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 58.269 87.400 24.688 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 58.839 87.042 25.370 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 57.478 87.670 25.154 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 37.017 83.602 51.824 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 37.534 84.401 51.922 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 36.213 83.888 51.390 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 80.116 35.765 28.778 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 79.921 36.698 28.866 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 80.684 35.709 28.010 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 71.703 66.723 60.795 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 72.149 65.997 61.230 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 71.224 66.313 60.074 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 71.017 61.211 37.768 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 70.855 60.454 37.204 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 70.509 61.919 37.371 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 28.177 27.889 -1.324 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 28.953 28.232 -1.768 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 27.505 28.557 -1.465 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 67.807 0.149 34.965 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 67.205 -0.102 34.265 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 68.271 0.912 34.622 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 57.057 24.280 53.231 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 57.984 24.455 53.068 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 56.666 24.228 52.359 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 62.873 57.322 39.550 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 62.089 57.295 40.100 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 62.547 57.547 38.679 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 29.992 41.047 59.440 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 29.937 40.212 58.975 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 30.924 41.158 59.625 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 54.751 47.954 -16.946 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 55.576 47.533 -16.703 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 54.864 48.869 -16.690 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 31.914 94.446 59.906 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 31.080 94.532 60.368 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 31.790 94.935 59.093 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 77.431 18.383 49.503 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 76.830 17.879 48.955 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 77.221 18.118 50.398 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 48.553 8.995 55.939 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 47.944 9.725 55.824 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 48.001 8.214 55.900 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 40.476 10.580 -0.520 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 40.951 10.420 -1.336 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 41.069 10.272 0.166 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 54.151 33.576 42.226 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 54.347 34.512 42.189 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 53.203 33.534 42.351 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 80.069 75.491 65.207 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 80.711 76.186 65.062 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 79.831 75.197 64.328 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 33.816 61.576 -0.776 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 33.026 61.590 -0.235 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 34.529 61.430 -0.155 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 58.695 42.208 57.430 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 58.129 41.901 56.722 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 58.155 42.832 57.916 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 23.832 94.936 -5.916 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 24.712 94.959 -5.539 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 23.258 95.216 -5.202 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 85.486 46.997 44.532 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 85.372 46.203 44.010 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 86.159 46.769 45.172 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 67.346 58.736 -13.205 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 67.304 58.158 -13.967 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 66.430 58.902 -12.980 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 34.461 42.641 62.894 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 34.231 42.836 61.985 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 33.635 42.712 63.371 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 41.573 44.841 31.778 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 41.442 44.156 31.123 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 42.069 45.520 31.320 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 42.754 49.539 53.563 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 43.614 49.779 53.218 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 42.927 48.802 54.148 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 78.643 9.143 5.290 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 79.584 9.040 5.431 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 78.260 9.075 6.164 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 65.422 42.202 -2.073 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 64.623 41.838 -1.692 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 65.329 43.148 -1.969 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 87.231 46.072 46.446 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 87.014 45.216 46.815 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 87.030 46.693 47.146 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 81.767 40.498 -19.291 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 82.198 40.516 -18.437 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 81.925 41.368 -19.658 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 44.770 14.032 64.348 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 44.592 13.251 63.823 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 43.948 14.207 64.804 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 36.398 18.475 63.509 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 36.218 17.535 63.485 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 35.599 18.880 63.173 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 89.397 19.683 61.974 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 88.890 20.132 61.298 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 88.740 19.255 62.522 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 29.806 39.890 62.867 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 30.383 39.272 62.419 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 30.370 40.323 63.508 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 32.630 70.434 25.161 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 32.269 69.725 24.628 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 33.471 70.638 24.752 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 36.766 84.476 -19.314 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 37.398 83.837 -19.643 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 36.577 85.036 -20.066 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 67.519 12.880 59.529 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 67.185 12.048 59.863 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 67.827 12.677 58.645 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 86.235 60.105 -14.319 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 85.980 60.679 -15.041 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 85.407 59.783 -13.964 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 77.527 51.385 27.206 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 76.623 51.597 26.972 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 77.469 51.033 28.094 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 85.715 15.492 -17.824 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 84.770 15.537 -17.966 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 85.997 16.407 -17.792 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 44.457 32.928 -4.023 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 43.836 32.200 -4.039 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 44.174 33.469 -3.286 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 70.923 32.784 -3.752 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 71.505 33.294 -4.316 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 70.101 32.733 -4.240 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 65.378 72.489 -15.101 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 64.845 72.674 -15.874 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 66.240 72.265 -15.452 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 56.571 6.676 65.278 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 57.130 7.342 65.677 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 57.182 6.041 64.905 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 38.248 53.716 30.415 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 38.541 53.225 29.647 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 37.862 54.515 30.056 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 34.744 53.891 26.359 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 35.062 53.312 25.667 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 34.754 54.763 25.967 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 57.175 17.334 -16.592 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 56.318 17.425 -16.176 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 57.780 17.186 -15.865 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 64.326 12.766 22.045 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 64.582 13.687 22.102 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 65.124 12.311 21.775 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 22.043 72.958 61.642 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 21.253 73.036 62.178 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 22.762 73.140 62.247 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 52.289 6.896 16.568 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 52.513 7.827 16.590 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 51.615 6.796 17.241 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 67.290 26.267 60.383 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 66.840 25.441 60.210 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 67.470 26.630 59.516 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 49.336 29.811 17.701 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 48.930 30.012 18.544 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 48.714 30.139 17.051 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 42.498 95.433 49.803 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 41.542 95.444 49.762 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 42.773 95.146 48.932 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 78.886 42.281 -7.059 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 78.386 42.554 -6.290 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 79.446 41.572 -6.742 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 37.634 34.690 7.847 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 36.859 34.847 8.386 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 38.339 35.156 8.297 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 84.366 28.464 0.464 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 84.879 27.711 0.172 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 83.460 28.229 0.263 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 85.305 25.530 11.516 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 86.238 25.721 11.613 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 84.880 26.057 12.193 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 67.652 54.826 61.221 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 67.029 55.033 61.917 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 67.298 54.038 60.809 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 79.152 74.028 62.274 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 78.242 74.257 62.462 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 79.166 73.852 61.334 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 88.196 60.614 6.343 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 88.615 59.773 6.157 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 88.925 61.225 6.455 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 47.898 42.841 8.610 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 48.164 43.428 9.318 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 48.721 42.503 8.256 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 74.663 33.797 22.563 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 74.730 33.102 21.908 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 75.271 34.471 22.260 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 67.804 29.088 58.541 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 67.146 29.662 58.149 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 67.445 28.862 59.399 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 36.399 33.532 29.658 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 36.483 33.973 28.813 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 36.181 34.232 30.273 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 78.234 90.472 46.648 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 77.932 90.547 45.743 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 79.045 89.967 46.589 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 47.696 51.642 42.147 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 46.851 51.956 42.470 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 47.720 51.918 41.231 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 83.059 76.880 -11.273 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 83.156 77.420 -10.488 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 83.555 77.346 -11.946 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 49.745 60.354 64.854 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 49.595 61.010 64.174 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 50.352 59.730 64.457 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 47.781 8.603 3.275 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 47.023 8.465 2.708 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 47.451 9.149 3.989 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 84.807 24.119 40.612 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 85.630 23.633 40.558 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 84.558 24.068 41.535 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 74.489 91.688 -15.318 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 75.374 92.044 -15.397 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 74.577 90.964 -14.698 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 79.704 8.986 43.986 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 80.068 9.774 43.582 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 80.378 8.318 43.858 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 90.394 3.293 33.308 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 89.705 3.923 33.521 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 91.207 3.791 33.388 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 63.576 32.234 48.926 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 62.944 32.780 49.395 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 63.397 32.401 48.001 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 52.952 84.874 -3.577 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 53.527 84.228 -3.988 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 52.289 85.063 -4.241 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 65.252 57.568 20.675 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 65.427 57.845 19.775 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 64.434 57.073 20.619 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 31.774 40.568 48.459 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 31.622 41.368 47.957 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 31.975 39.905 47.798 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 42.870 59.474 44.478 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 43.008 59.821 43.597 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 43.714 59.093 44.721 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 89.393 19.358 51.068 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 89.170 19.212 50.149 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 90.301 19.064 51.145 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 89.016 25.395 51.036 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 88.646 26.278 51.055 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 89.951 25.523 51.195 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 52.694 12.411 28.666 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 53.137 13.214 28.391 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 51.900 12.380 28.133 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 53.527 1.857 38.366 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 54.326 2.380 38.302 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 53.527 1.321 37.573 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 83.838 43.489 66.545 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 82.971 43.406 66.149 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 83.742 44.190 67.190 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 24.207 39.735 38.512 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 23.901 40.204 37.735 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 23.658 38.952 38.551 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 54.600 70.279 -15.998 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 53.983 70.963 -16.260 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 54.593 70.304 -15.041 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 30.217 62.038 49.692 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 30.900 62.488 50.189 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 30.542 62.029 48.792 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 44.688 5.037 44.668 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 45.284 5.779 44.560 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 45.256 4.267 44.633 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 23.767 13.262 38.042 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 24.245 12.882 38.779 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 24.210 14.094 37.873 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 33.969 36.855 62.275 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 34.653 36.298 61.904 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 33.628 36.355 63.016 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 82.751 15.098 43.585 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 82.044 15.741 43.527 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 83.483 15.581 43.968 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 87.949 10.992 -13.275 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 87.488 10.554 -12.560 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 87.996 11.909 -13.006 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 64.225 83.671 -2.759 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 63.731 83.674 -3.579 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 64.915 83.022 -2.897 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 73.507 62.711 -16.262 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 73.028 63.374 -15.764 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 74.365 63.105 -16.421 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 22.328 30.272 -9.530 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 23.281 30.185 -9.536 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 22.060 30.041 -10.419 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 77.184 10.399 40.062 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 77.349 9.897 39.264 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 77.422 9.804 40.773 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 44.453 80.286 17.812 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 44.193 79.454 18.208 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 43.822 80.421 17.104 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 82.473 66.894 33.638 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 81.588 66.543 33.540 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 83.009 66.132 33.860 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 59.510 50.814 -12.842 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 59.379 51.593 -13.382 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 59.929 51.141 -12.046 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 61.892 34.060 32.095 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 62.053 34.666 31.372 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 61.105 33.580 31.835 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 89.854 82.182 48.051 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 90.724 81.786 47.996 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 89.797 82.743 47.278 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 80.258 29.362 39.268 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 80.293 29.472 38.318 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 80.930 28.708 39.459 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 80.610 30.105 1.227 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 79.739 29.709 1.244 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 80.706 30.510 2.089 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 25.252 72.291 59.445 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 25.521 71.462 59.049 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 26.054 72.812 59.477 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 69.708 37.880 -15.422 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 70.596 37.961 -15.073 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 69.527 36.940 -15.400 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 54.977 17.830 21.323 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 54.380 18.399 20.837 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 55.818 18.286 21.298 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 35.332 0.902 5.920 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 35.708 0.038 6.090 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 35.052 0.866 5.005 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 22.506 81.314 47.615 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 23.083 81.546 46.888 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 22.946 80.582 48.047 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 22.294 30.363 61.429 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 22.033 31.278 61.330 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 22.650 30.310 62.316 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 24.149 41.011 35.878 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 23.777 41.828 35.545 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 23.537 40.334 35.589 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 21.278 29.893 -16.897 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 20.378 29.723 -16.621 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 21.215 30.663 -17.463 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 31.755 8.467 23.476 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 31.916 9.374 23.734 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 32.563 8.006 23.700 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 49.168 9.428 43.503 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 49.405 9.294 44.421 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 48.848 8.574 43.211 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 82.276 86.062 56.750 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 81.410 85.734 56.990 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 82.508 85.573 55.961 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 46.044 63.881 -0.864 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 46.418 64.377 -0.136 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 46.802 63.529 -1.330 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 33.700 41.490 65.980 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 33.444 40.569 65.929 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 33.619 41.710 66.909 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 34.121 86.000 34.591 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 33.168 85.911 34.585 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 34.444 85.135 34.339 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 57.686 9.678 45.347 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 58.002 9.753 44.446 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 57.626 10.583 45.655 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 56.202 68.242 -16.964 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 55.720 68.865 -16.419 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 57.038 68.126 -16.513 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 85.210 70.717 20.745 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 85.084 70.125 21.487 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 84.392 71.211 20.691 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 68.911 5.699 44.596 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 68.804 4.764 44.420 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 69.431 5.734 45.398 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 62.130 24.046 57.754 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 61.483 24.580 57.292 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 62.667 23.666 57.059 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 56.280 70.321 -4.018 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 56.683 69.549 -3.622 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 56.839 71.049 -3.748 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 82.534 68.670 48.258 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 81.758 68.868 48.782 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 82.257 68.818 47.354 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 52.857 13.918 32.898 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 53.410 14.047 33.669 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 52.113 14.505 33.036 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 87.809 49.880 13.767 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 87.906 50.795 13.504 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 88.452 49.408 13.237 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 42.430 30.500 48.394 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 42.743 31.403 48.436 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 42.196 30.369 47.475 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 27.577 6.824 20.331 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 28.376 6.883 19.807 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 26.906 7.247 19.794 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 66.184 10.548 58.968 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 65.317 10.923 59.124 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 66.284 9.883 59.650 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 85.368 73.603 -13.355 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 85.316 73.492 -12.406 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 85.460 72.714 -13.696 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 45.725 16.693 3.366 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 45.223 16.986 4.127 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 46.606 17.036 3.514 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 55.085 26.785 36.778 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 55.914 26.915 36.318 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 55.298 26.924 37.701 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 61.840 38.831 57.696 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 61.186 38.141 57.805 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 61.864 38.992 56.752 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 30.410 44.165 56.394 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 30.846 43.360 56.673 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 30.849 44.405 55.578 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 66.296 33.833 6.286 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 66.027 34.722 6.517 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 65.476 33.345 6.214 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 35.710 11.853 56.475 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 36.390 11.826 57.148 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 35.827 12.703 56.050 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 89.872 29.131 29.928 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 89.314 29.181 29.151 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 90.734 28.889 29.589 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 55.582 37.254 -10.603 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 54.751 37.510 -10.203 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 56.245 37.503 -9.960 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 40.502 26.077 -16.347 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 40.149 26.020 -15.459 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 39.778 26.415 -16.873 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 24.417 45.718 45.121 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 23.797 46.433 45.260 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 24.547 45.694 44.173 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 22.562 86.237 28.811 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 22.255 86.274 29.717 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 21.986 86.838 28.338 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 25.947 72.080 41.313 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 25.672 71.279 41.759 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 25.305 72.197 40.612 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 73.518 13.145 9.634 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 72.985 13.199 10.427 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 73.296 13.936 9.142 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 64.022 38.332 -18.839 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 64.221 39.235 -18.593 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 63.157 38.167 -18.465 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 35.864 33.720 17.923 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 36.538 34.367 18.132 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 36.104 33.396 17.055 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 20.718 93.252 49.003 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 20.749 92.443 49.514 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 21.316 93.097 48.272 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 20.804 68.812 45.761 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 20.176 69.355 45.285 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 20.314 68.023 45.992 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 64.100 12.393 35.201 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 64.648 12.826 34.546 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 63.645 11.705 34.716 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 79.508 96.589 -9.256 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 79.276 95.878 -9.853 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 78.896 96.500 -8.526 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 33.302 20.716 0.411 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 33.256 21.371 -0.284 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 33.783 21.148 1.117 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 38.316 23.294 47.381 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 37.624 22.962 46.810 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 39.061 23.440 46.797 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 41.345 9.157 37.622 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 41.156 9.666 36.833 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 42.262 9.351 37.818 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 67.602 60.124 59.024 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 67.048 60.079 59.803 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 68.181 60.869 59.183 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 59.474 64.698 58.785 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 58.798 64.085 59.073 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 59.630 65.258 59.546 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 77.683 25.530 51.085 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 77.796 24.962 50.323 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 77.751 26.418 50.734 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 23.637 59.197 -17.920 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 23.697 58.291 -17.616 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 23.814 59.724 -17.141 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 67.356 34.800 14.675 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 66.870 33.999 14.871 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 67.137 35.395 15.391 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 54.404 64.117 37.868 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 53.611 64.352 37.386 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 54.121 63.438 38.480 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 86.891 26.273 -16.888 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 86.380 27.046 -16.646 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 87.496 26.147 -16.157 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 57.693 43.701 51.416 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 57.737 42.764 51.224 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 57.773 44.125 50.561 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 41.447 93.100 -18.097 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 42.316 92.768 -17.870 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 40.998 92.349 -18.486 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 65.303 16.313 50.406 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 66.208 16.007 50.460 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 64.775 15.519 50.483 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 82.095 42.795 55.988 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 81.718 43.600 56.344 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 81.929 42.848 55.047 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 89.959 49.013 -4.188 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 89.453 49.780 -3.920 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 89.793 48.364 -3.504 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 68.970 26.911 -2.611 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 69.032 26.515 -3.480 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 69.720 26.557 -2.132 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 25.435 66.868 37.043 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 25.125 67.179 36.192 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 26.111 66.224 36.831 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 54.981 31.306 57.843 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 55.419 32.013 57.370 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 54.128 31.224 57.417 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 33.132 67.437 43.716 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 32.992 66.793 43.021 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 32.755 67.032 44.497 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 51.966 55.176 -18.573 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 51.324 54.498 -18.359 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 52.796 54.833 -18.240 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 47.255 54.306 6.471 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 47.335 54.417 7.418 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 48.087 54.624 6.121 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 34.675 36.347 23.234 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 35.365 36.395 23.896 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 34.997 36.886 22.512 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 22.694 26.120 14.246 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 23.396 26.091 14.896 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 21.935 25.750 14.695 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 42.996 33.152 67.046 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 42.526 32.437 67.475 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 42.378 33.491 66.399 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 58.101 67.544 64.546 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 57.947 68.126 65.291 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 58.484 68.110 63.875 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 56.999 34.984 60.843 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 56.796 35.896 60.637 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 57.954 34.956 60.897 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 78.010 34.258 61.202 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 78.038 34.805 61.987 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 77.077 34.161 61.010 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 35.472 12.990 -16.254 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 35.578 13.623 -16.964 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 35.033 13.480 -15.558 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 64.818 60.636 60.397 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 64.677 61.329 59.752 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 64.044 60.669 60.959 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 25.225 63.324 22.843 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 25.495 62.493 23.233 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 26.045 63.751 22.596 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 37.225 69.213 -17.926 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 37.223 70.148 -18.133 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 37.915 68.846 -18.479 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 25.520 23.735 9.144 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 25.685 24.669 9.277 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 26.391 23.349 9.048 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 82.613 42.274 48.610 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 82.396 42.300 47.678 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 82.312 41.414 48.902 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 32.934 25.358 -18.931 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 32.098 25.444 -18.474 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 32.721 24.883 -19.735 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 33.912 85.184 -18.215 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 33.810 86.129 -18.324 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 34.651 85.090 -17.613 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 24.559 87.480 60.257 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 25.168 88.209 60.136 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 24.969 86.747 59.799 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 74.338 58.317 6.505 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 75.182 58.700 6.267 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 74.061 58.808 7.278 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 32.939 75.765 24.991 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 32.390 75.076 25.366 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 32.750 76.538 25.522 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 65.876 69.115 65.359 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 66.057 69.652 64.587 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 65.210 69.605 65.841 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 59.006 3.468 41.716 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 59.579 2.712 41.590 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 59.581 4.225 41.606 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 65.645 5.529 46.086 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 65.229 4.870 45.531 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 65.498 5.217 46.979 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 70.956 60.170 47.367 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 70.280 60.051 46.699 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 71.197 61.094 47.303 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 29.558 73.937 41.764 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 29.899 73.152 41.335 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 28.671 73.698 42.032 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 42.698 18.706 63.429 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 43.210 18.867 62.636 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 41.944 19.290 63.350 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 71.009 66.471 6.937 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 70.546 66.479 6.100 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 71.553 65.685 6.904 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 28.845 9.420 32.838 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 28.004 9.008 32.638 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 28.648 10.035 33.545 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 72.575 31.784 54.254 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 73.339 31.312 53.925 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 72.838 32.704 54.245 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 26.218 63.575 16.965 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 27.168 63.661 16.897 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 26.061 62.631 16.960 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 81.962 78.663 65.919 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 81.105 78.452 66.291 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 82.017 79.617 65.970 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 41.069 88.952 -2.093 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 41.285 89.278 -1.219 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 40.154 88.680 -2.028 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 87.175 78.546 9.848 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 87.055 77.622 9.630 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 86.497 78.729 10.499 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 79.568 36.642 -16.917 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 79.098 37.208 -17.529 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 80.133 36.105 -17.472 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 56.849 32.843 34.979 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 56.397 32.864 34.136 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 56.176 32.580 35.607 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 48.851 62.490 63.254 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 49.171 63.160 63.858 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 48.028 62.843 62.918 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 35.720 67.794 -16.266 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 36.332 68.234 -16.855 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 35.774 68.291 -15.449 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 37.359 43.633 -13.588 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 36.945 43.929 -12.778 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 37.887 44.378 -13.874 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 55.202 17.570 58.636 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 54.672 18.355 58.498 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 55.675 17.739 59.451 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 88.578 43.535 33.819 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 88.799 42.611 33.707 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 88.552 43.886 32.929 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 47.028 93.863 59.780 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 47.491 93.353 59.116 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 47.395 93.564 60.612 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 23.226 39.674 28.500 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 22.823 40.083 27.735 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 23.249 40.368 29.159 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 55.140 53.023 -0.147 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 56.091 53.099 -0.224 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 54.854 53.887 0.151 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 61.076 17.471 64.435 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 60.847 17.212 63.543 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 60.239 17.504 64.898 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 64.144 42.698 58.720 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 64.283 42.021 58.057 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 64.995 43.129 58.805 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 24.161 84.785 23.764 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 24.595 84.753 24.617 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 24.692 85.390 23.247 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 75.273 68.393 1.000 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 75.415 67.521 1.368 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 75.315 68.264 0.053 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 90.495 80.422 34.747 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 89.833 80.462 34.057 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 91.099 79.737 34.460 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 39.384 41.283 50.957 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 38.966 41.313 50.096 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 39.527 42.201 51.187 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 88.878 70.344 61.203 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 88.743 70.229 60.263 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 89.008 71.286 61.314 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 48.957 41.593 -1.509 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 49.309 42.474 -1.632 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 48.608 41.596 -0.618 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 85.297 49.262 65.191 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 84.815 48.578 65.656 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 84.641 49.934 65.006 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 49.415 22.051 51.520 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 49.238 21.834 52.435 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 48.570 21.951 51.082 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 67.014 82.831 2.442 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 67.032 82.379 1.598 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 66.665 82.182 3.054 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 57.519 32.870 12.633 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 56.720 32.440 12.939 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 57.884 33.284 13.415 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 87.379 27.429 4.922 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 87.865 26.669 4.600 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 87.536 28.109 4.267 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 47.860 49.589 58.087 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 47.084 49.202 58.492 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 47.547 49.932 57.249 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 65.443 86.965 63.138 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 66.023 87.507 62.603 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 65.878 86.113 63.176 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 49.257 81.521 -16.019 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 48.382 81.135 -16.057 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 49.207 82.160 -15.308 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 25.012 26.995 26.918 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 25.263 26.364 26.244 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 24.150 27.308 26.645 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 58.645 8.990 2.667 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 58.851 8.067 2.815 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 59.474 9.447 2.808 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 37.374 48.734 -2.099 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 37.140 48.599 -3.017 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 38.271 48.406 -2.030 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 57.592 92.175 18.403 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 56.690 91.866 18.323 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 58.112 91.377 18.495 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 56.879 89.457 -8.626 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 57.126 88.589 -8.944 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 56.766 89.345 -7.682 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 29.205 94.953 30.449 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 29.340 95.435 31.265 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 29.634 95.488 29.781 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 88.838 93.853 57.439 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 88.620 93.326 58.208 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 88.017 94.282 57.201 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 50.079 10.119 -10.240 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 49.630 10.948 -10.405 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 50.337 9.809 -11.109 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 38.475 47.706 16.490 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 38.817 48.260 17.191 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 39.255 47.353 16.061 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 80.783 51.663 41.882 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 80.131 51.403 42.532 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 80.805 50.936 41.260 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 40.083 82.544 52.706 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 40.042 83.430 52.346 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 41.004 82.294 52.624 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 71.314 71.468 30.645 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 71.225 72.099 31.359 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 71.456 72.006 29.866 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 71.136 5.907 24.986 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 72.002 6.157 25.309 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 71.069 4.971 25.177 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 79.986 90.052 -7.272 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 79.624 89.470 -6.603 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 79.324 90.736 -7.378 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 79.202 72.771 49.809 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 79.633 71.990 50.155 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 78.702 73.117 50.548 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 33.213 93.602 -5.399 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 33.211 93.864 -6.320 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 32.652 92.828 -5.368 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 65.799 95.403 -13.157 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 66.051 95.986 -12.441 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 65.367 94.666 -12.725 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 20.540 42.949 45.881 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 21.429 43.061 46.218 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 20.104 42.400 46.533 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 21.327 50.938 1.085 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 21.153 50.573 0.217 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 20.971 51.826 1.047 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 58.381 43.275 0.889 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 59.123 43.871 0.989 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 58.298 42.850 1.742 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 59.063 79.163 63.545 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 59.037 78.329 64.014 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 59.926 79.178 63.129 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 55.841 26.512 39.356 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 56.588 27.110 39.380 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 56.221 25.663 39.126 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 56.380 90.438 56.277 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 57.037 89.860 56.667 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 56.264 90.103 55.388 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 34.518 10.723 -10.376 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 33.793 10.518 -9.785 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 35.200 10.092 -10.146 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 44.659 19.846 -15.271 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 45.491 20.312 -15.180 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 44.237 20.254 -16.027 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 32.254 69.560 61.612 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 32.676 69.146 60.860 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 32.755 69.253 62.368 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 73.105 13.837 -0.517 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 72.924 13.549 0.378 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 73.807 13.259 -0.817 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 43.159 32.949 -7.719 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 42.520 33.112 -7.025 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 43.355 32.014 -7.649 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 23.630 48.442 -12.314 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 23.659 49.254 -11.807 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 23.890 48.702 -13.198 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 31.380 54.894 63.433 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 31.131 55.367 64.227 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 30.569 54.482 63.135 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 83.326 67.642 61.571 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 83.174 66.705 61.444 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 82.609 68.067 61.102 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 31.245 43.658 -5.262 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 31.044 43.768 -4.332 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 31.429 44.543 -5.575 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 47.641 3.947 64.335 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 46.940 4.230 64.923 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 48.202 4.717 64.242 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 39.559 83.222 38.599 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 40.506 83.176 38.726 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 39.192 82.775 39.362 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 76.506 50.274 31.889 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 76.830 49.601 32.488 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 76.265 51.005 32.458 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 71.939 60.380 25.351 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 71.517 61.091 25.833 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 71.850 59.616 25.921 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 37.704 23.543 52.424 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 37.407 23.120 53.230 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 37.821 24.462 52.664 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 87.171 1.816 37.421 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 87.881 1.381 37.892 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 86.897 1.181 36.759 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 57.680 31.616 49.185 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 57.690 32.034 48.324 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 57.362 32.296 49.778 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 47.542 75.619 -19.215 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 47.579 75.580 -20.170 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 48.126 74.919 -18.923 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 61.732 4.391 -14.834 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 61.737 4.880 -14.011 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 61.634 3.476 -14.568 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 21.084 63.143 45.680 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 20.629 63.657 45.013 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 21.918 62.906 45.273 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 71.515 89.107 58.982 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 70.563 89.157 59.060 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 71.751 88.295 59.430 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 86.578 1.708 -8.668 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 86.753 1.549 -9.596 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 85.914 2.398 -8.665 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 64.702 95.000 -0.637 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 64.539 95.900 -0.356 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 65.427 95.070 -1.258 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 83.076 85.980 27.290 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 82.196 86.286 27.507 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 83.217 85.228 27.865 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 64.136 12.993 6.325 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 64.443 12.389 7.002 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 64.929 13.433 6.019 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 37.031 27.678 30.257 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 36.926 28.459 30.800 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 37.841 27.830 29.772 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 46.136 10.156 4.838 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 46.557 10.162 5.698 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 45.309 10.619 4.973 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 70.992 32.585 56.803 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 70.103 32.697 56.466 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 71.466 33.354 56.488 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 60.588 22.774 51.496 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 59.989 23.410 51.106 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 60.954 22.299 50.750 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 31.245 67.978 14.511 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 31.922 67.435 14.108 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 31.729 68.601 15.054 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 47.100 17.834 -8.078 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 47.437 18.037 -8.950 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 46.513 18.562 -7.872 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 85.467 88.750 28.515 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 85.074 88.959 29.362 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 85.826 87.870 28.627 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 88.127 7.817 43.857 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 87.558 7.192 43.407 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 88.980 7.386 43.887 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 76.667 6.598 6.281 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 76.976 7.416 6.672 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 77.459 6.071 6.171 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 45.699 41.417 -11.451 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 45.308 42.055 -10.854 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 46.349 41.917 -11.944 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 85.538 3.892 -6.267 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 85.262 3.693 -7.162 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 85.284 3.121 -5.760 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 21.646 46.717 62.275 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 22.237 46.293 62.896 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 22.019 47.589 62.146 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 38.084 81.959 24.029 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 37.133 82.064 24.064 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 38.215 81.037 23.807 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 89.192 8.651 38.370 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 89.813 9.280 38.001 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 89.362 7.838 37.894 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 70.306 4.123 22.325 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 70.236 4.258 23.270 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 70.318 5.006 21.956 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 63.718 78.506 33.262 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 64.306 77.968 32.732 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 63.609 79.312 32.757 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 25.061 4.104 -12.961 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 25.751 3.755 -13.526 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 24.316 3.520 -13.103 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 42.604 3.757 -13.592 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 43.045 4.194 -14.321 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 41.671 3.892 -13.761 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 87.176 51.417 31.989 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 87.680 50.815 31.441 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 87.575 52.273 31.835 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 38.832 23.111 -17.087 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 38.070 23.687 -17.148 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 39.312 23.260 -17.901 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 55.401 61.351 64.026 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 54.765 61.239 63.319 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 56.184 60.894 63.719 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 32.361 57.478 49.105 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 33.282 57.682 48.940 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 32.293 57.429 50.058 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 77.476 20.021 39.630 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 78.206 20.139 40.238 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 77.875 19.649 38.844 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 34.751 21.708 -17.688 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 35.576 21.469 -17.266 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 34.394 20.878 -18.003 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 21.898 86.610 60.313 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 21.982 85.819 60.846 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 22.735 87.061 60.420 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 56.804 31.943 1.312 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 56.808 32.215 2.230 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 56.173 32.527 0.891 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 27.809 28.783 54.265 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 28.008 28.931 55.190 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 28.383 29.389 53.796 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 88.759 22.786 58.524 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 88.504 22.443 57.668 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 89.707 22.656 58.562 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 65.849 91.462 -19.552 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 65.735 92.405 -19.438 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 65.332 91.071 -18.847 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 35.802 45.073 20.865 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 36.687 44.965 20.516 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 35.293 44.379 20.447 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 38.031 85.448 55.918 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 37.465 85.180 56.642 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 37.426 85.713 55.225 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 90.254 79.498 24.576 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 90.131 78.666 24.119 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 89.496 80.026 24.321 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 35.137 64.409 47.223 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 36.067 64.593 47.356 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 35.026 64.410 46.272 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 43.069 50.755 -5.524 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 43.670 50.037 -5.325 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 43.566 51.548 -5.319 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 88.147 13.212 55.849 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 87.745 14.078 55.780 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 88.794 13.303 56.549 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 31.338 11.312 38.729 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 31.714 12.191 38.769 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 31.003 11.154 39.611 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 68.646 78.519 24.524 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 68.690 77.716 24.005 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 67.804 78.910 24.290 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 77.567 23.613 48.915 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 77.557 22.923 48.252 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 76.669 23.641 49.245 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 40.867 57.388 -8.610 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 40.826 56.473 -8.332 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 41.265 57.846 -7.870 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 39.190 32.044 52.760 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 39.759 31.995 51.992 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 38.750 31.194 52.788 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 42.906 35.526 -9.302 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 42.390 36.246 -8.938 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 42.895 34.854 -8.621 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 35.541 27.031 39.030 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 36.053 27.837 39.087 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 36.007 26.495 38.389 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 52.381 6.151 33.349 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 53.307 6.144 33.591 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 52.284 6.923 32.792 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 76.502 36.211 45.073 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 76.055 36.834 45.645 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 77.335 36.037 45.511 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 32.217 72.890 45.099 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 33.042 73.020 44.631 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 32.198 73.589 45.751 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 74.886 96.054 57.174 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 74.429 95.253 56.915 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 74.747 96.656 56.443 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 55.609 33.899 11.034 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 54.814 33.367 11.049 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 56.142 33.553 11.750 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 34.655 79.677 -9.850 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 34.339 79.958 -8.992 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 35.604 79.793 -9.806 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 79.844 53.336 64.055 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 79.487 52.968 64.863 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 79.178 53.956 63.760 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 44.108 54.109 44.580 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 44.383 54.922 44.155 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 44.110 53.459 43.877 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 64.025 28.812 46.318 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 63.147 29.093 46.577 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 64.049 27.878 46.527 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 90.308 46.506 59.849 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 90.979 46.482 60.531 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 89.667 45.850 60.120 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 23.419 93.058 12.079 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 24.289 92.768 12.355 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 22.920 93.129 12.893 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 41.659 15.607 34.228 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 42.466 15.415 34.705 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 41.844 16.421 33.760 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 45.857 62.801 14.832 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 46.232 62.854 13.953 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 46.608 62.886 15.419 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 56.876 59.168 36.897 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 56.414 59.847 37.389 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 56.342 59.034 36.114 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 55.180 88.277 1.044 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 54.535 88.047 0.375 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 55.595 89.074 0.714 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 48.997 31.319 -10.129 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 49.516 31.992 -9.687 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 48.166 31.307 -9.655 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 63.339 47.794 -10.329 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 63.808 48.626 -10.400 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 62.977 47.798 -9.443 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 55.814 37.817 59.531 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 55.008 37.524 59.954 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 55.519 38.301 58.760 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 29.315 42.257 4.735 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 28.867 43.065 4.985 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 28.794 41.909 4.011 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 57.796 65.461 45.091 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 56.888 65.223 44.903 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 58.154 64.699 45.547 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 38.809 43.810 59.558 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 38.875 43.282 60.353 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 38.261 43.291 58.970 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 25.362 20.818 61.231 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 24.944 21.676 61.147 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 25.300 20.435 60.355 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 50.685 82.147 31.709 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 50.695 81.354 32.246 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 49.785 82.466 31.769 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 70.035 33.338 53.340 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 70.892 33.041 53.643 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 70.231 33.993 52.669 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 60.438 49.822 58.166 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 59.904 50.438 57.664 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 60.653 50.293 58.972 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 40.876 57.354 -13.272 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 41.314 58.072 -13.728 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 41.391 57.225 -12.476 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 48.829 89.495 22.305 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 49.710 89.310 21.979 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 48.246 89.159 21.623 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 24.624 68.480 49.025 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 24.631 68.532 48.070 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 24.599 69.392 49.315 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 42.079 86.448 31.671 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 41.922 87.282 32.113 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 41.210 86.056 31.581 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 23.784 8.600 49.067 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 24.464 7.969 49.301 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 24.105 9.014 48.266 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 63.599 93.576 3.643 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 64.461 93.898 3.905 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 63.719 92.633 3.529 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 87.310 82.305 63.425 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 86.420 82.506 63.136 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 87.248 82.259 64.379 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 23.962 39.582 61.965 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 23.471 39.133 62.653 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 23.804 40.513 62.126 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 82.055 4.047 60.663 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 82.625 3.421 60.216 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 82.543 4.870 60.649 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 81.024 70.192 46.242 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 80.291 70.507 46.772 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 80.707 69.377 45.854 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 34.850 38.108 29.722 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 34.766 38.684 30.482 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 33.998 38.156 29.289 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 54.822 73.798 41.629 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 53.970 74.016 41.251 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 54.613 73.375 42.462 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 32.950 86.229 52.191 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 32.222 86.440 52.776 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 33.716 86.195 52.763 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 42.641 75.634 -15.517 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 42.139 75.370 -14.745 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 42.163 75.256 -16.255 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 22.814 18.389 -5.344 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 23.339 18.396 -4.543 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 23.258 19.004 -5.927 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 71.068 75.389 1.522 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 70.129 75.392 1.711 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 71.333 74.477 1.638 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 54.629 46.581 37.290 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 55.014 46.989 36.515 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 53.731 46.374 37.032 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 76.625 35.617 22.340 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 76.914 36.306 22.938 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 76.469 36.069 21.510 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 41.685 45.751 44.003 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 41.684 46.285 43.209 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 41.074 46.194 44.592 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 34.985 53.905 48.990 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 35.874 53.809 49.331 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 34.422 53.818 49.760 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 47.221 56.271 44.481 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 47.879 56.719 45.012 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 46.471 56.866 44.478 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 21.785 75.390 38.883 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 21.209 74.886 38.309 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 22.427 74.753 39.198 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 35.696 47.307 -13.239 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 36.489 47.838 -13.166 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 34.980 47.918 -13.067 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 28.698 88.652 15.029 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 29.620 88.412 14.944 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 28.664 89.203 15.811 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 43.543 80.458 60.340 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 43.099 80.170 61.137 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 43.660 79.657 59.828 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 40.922 46.501 62.260 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 39.985 46.392 62.098 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 41.056 47.449 62.261 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 51.373 26.245 50.141 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 50.598 25.825 50.514 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 51.090 27.137 49.942 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 29.560 44.620 -9.931 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 29.066 43.829 -9.716 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 28.909 45.321 -9.917 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 33.925 20.971 65.568 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 34.257 20.644 64.732 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 34.649 21.481 65.931 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 42.753 4.496 -17.726 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 42.392 5.062 -17.044 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 43.168 3.778 -17.247 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 73.697 54.319 -17.129 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 73.326 54.341 -16.247 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 73.869 55.237 -17.340 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 46.827 36.405 5.288 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 46.217 36.145 5.979 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 47.495 36.921 5.739 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 41.358 54.288 -11.081 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 41.796 55.120 -10.900 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 40.425 54.489 -11.014 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 28.809 47.912 16.733 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 29.440 48.135 17.418 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 29.341 47.790 15.947 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 71.194 14.481 54.038 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 71.823 14.001 54.577 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 70.894 13.841 53.392 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 80.557 80.342 10.447 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 80.063 80.383 9.628 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 81.321 79.803 10.241 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 59.874 91.902 34.199 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 58.956 91.702 34.018 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 59.987 91.694 35.126 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 81.660 59.008 -14.751 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 81.099 59.693 -15.115 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 81.116 58.220 -14.767 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 44.595 51.425 33.569 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 45.117 50.648 33.370 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 45.012 52.129 33.071 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 37.316 59.351 33.270 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 38.067 59.236 32.689 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 37.634 59.077 34.130 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 50.436 28.907 -4.888 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 51.381 28.824 -4.761 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 50.053 28.542 -4.090 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 81.363 46.665 26.192 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 80.930 47.518 26.210 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 82.142 46.780 26.737 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 50.035 51.305 25.626 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 50.208 51.980 24.969 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 50.012 50.487 25.128 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 38.581 19.838 57.178 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 39.081 19.850 56.362 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 39.242 19.742 57.864 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 35.326 58.174 57.413 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 35.427 57.228 57.518 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 35.978 58.414 56.755 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 44.030 15.722 40.439 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 43.842 15.691 39.501 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 43.970 14.812 40.727 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 86.167 3.516 52.385 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 85.514 3.557 51.687 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 85.653 3.485 53.192 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 71.581 63.028 47.143 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 72.493 63.317 47.184 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 71.156 63.657 46.560 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 36.264 2.763 53.501 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 36.403 3.603 53.940 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 35.977 2.173 54.198 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 57.509 47.315 -16.613 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 57.938 47.012 -17.414 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 57.957 48.133 -16.397 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 29.526 79.963 18.511 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 28.655 79.903 18.903 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 30.105 79.546 19.148 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 41.825 86.082 16.731 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 41.197 85.621 16.176 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 42.482 85.421 16.950 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 46.688 43.154 -3.136 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 47.327 43.756 -3.518 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 47.218 42.489 -2.696 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 44.612 43.974 -11.330 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 44.184 44.642 -11.866 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 45.491 43.896 -11.701 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 21.051 43.295 24.216 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 20.322 43.136 23.618 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 21.074 44.247 24.319 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 60.647 9.259 54.383 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 60.982 8.454 53.989 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 60.486 9.029 55.298 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 84.451 47.020 32.732 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 84.539 47.637 33.459 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 85.186 47.224 32.154 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 40.096 16.655 43.077 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 39.560 16.220 42.414 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 39.704 17.523 43.172 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 48.906 29.442 59.752 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 48.419 29.008 59.052 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 48.914 30.366 59.502 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 56.604 61.794 53.957 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 56.887 61.023 53.465 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 56.588 62.498 53.309 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 83.373 50.285 61.759 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 82.877 51.073 61.980 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 84.287 50.570 61.756 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 62.016 46.943 40.972 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 62.354 47.438 40.226 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 62.063 46.028 40.694 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 34.787 92.549 13.457 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 35.134 91.696 13.717 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 35.352 93.183 13.899 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 83.035 47.365 45.512 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 82.669 46.716 44.910 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 83.922 47.519 45.188 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 64.229 54.361 1.379 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 64.339 54.404 2.329 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 63.526 53.724 1.248 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 41.748 69.321 61.446 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 41.280 68.911 60.718 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 41.089 69.864 61.879 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 55.459 18.540 61.786 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 55.832 17.708 62.078 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 56.151 18.941 61.260 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 66.648 15.574 -8.841 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 65.860 15.138 -9.165 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 66.382 15.965 -8.009 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 82.049 20.607 8.044 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 82.983 20.795 8.133 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 81.660 20.932 8.856 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 45.555 95.414 40.519 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 46.280 94.805 40.378 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 44.964 95.258 39.783 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 67.554 88.798 17.165 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 68.279 89.126 16.633 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 67.850 87.941 17.472 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 73.798 71.802 14.191 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 73.114 71.728 14.855 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 73.338 71.694 13.358 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 33.156 8.916 62.458 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 33.060 9.468 61.682 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 33.863 8.310 62.236 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 32.637 79.487 49.281 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 31.847 79.325 48.765 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 32.586 80.415 49.512 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 28.792 3.570 41.235 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 29.031 3.909 40.373 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 28.629 4.351 41.764 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 89.601 68.294 18.383 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 89.489 67.446 18.813 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 90.476 68.254 17.997 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 89.200 53.112 22.890 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 88.561 53.765 22.604 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 88.709 52.539 23.479 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 41.057 78.133 46.633 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 40.888 77.272 46.249 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 40.856 78.752 45.931 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 88.998 14.026 66.350 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 89.524 14.508 66.988 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 89.592 13.362 66.002 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 86.164 65.161 36.051 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 86.248 65.697 35.263 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 85.439 64.566 35.861 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 23.140 17.845 10.028 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 23.765 17.140 10.196 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 23.362 18.159 9.151 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 34.928 53.169 -19.306 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 34.534 52.490 -19.854 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 34.270 53.348 -18.635 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 64.984 26.037 24.399 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 65.814 26.252 23.973 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 64.603 25.352 23.850 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 70.000 77.024 8.160 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 70.134 77.954 8.344 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 69.281 76.766 8.736 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 30.105 78.525 -9.019 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 30.228 78.558 -8.070 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 30.217 79.431 -9.306 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 46.458 12.582 20.098 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 46.475 12.393 19.160 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 46.114 13.474 20.157 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 77.767 47.924 6.171 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 77.205 47.369 6.712 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 78.337 48.371 6.796 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 50.567 35.278 14.604 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 49.664 35.358 14.912 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 50.797 34.364 14.770 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 43.830 84.842 -4.497 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 43.664 84.548 -3.602 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 44.769 84.709 -4.624 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 59.797 41.648 23.986 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 59.900 42.362 23.356 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 58.853 41.492 24.018 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 71.577 89.073 -2.150 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 71.993 89.880 -2.453 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 70.796 88.986 -2.696 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 31.892 65.914 27.413 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 32.203 66.786 27.168 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 32.673 65.361 27.370 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 53.125 36.838 59.744 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 52.896 36.146 60.365 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 52.283 37.151 59.413 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 23.361 34.150 19.384 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 23.502 35.096 19.357 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 22.558 34.012 18.881 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 45.192 4.951 48.709 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 44.662 5.670 48.365 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 44.800 4.162 48.334 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 33.455 21.553 37.963 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 33.869 21.543 37.100 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 32.520 21.452 37.783 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 64.188 79.326 64.834 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 63.914 80.181 64.502 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 65.096 79.454 65.107 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 44.658 24.266 2.221 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 44.306 24.950 1.651 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 45.218 24.734 2.840 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 40.802 40.528 4.636 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 41.404 39.931 5.081 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 41.083 40.514 3.721 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 21.082 87.216 -12.011 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 21.437 87.997 -12.436 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 20.572 86.782 -12.694 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 32.463 1.309 54.660 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 32.500 2.260 54.765 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 33.376 1.046 54.539 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 70.677 39.561 62.737 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 70.039 40.240 62.519 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 70.320 39.137 63.517 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 31.501 44.749 48.010 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 31.934 44.589 48.848 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 30.690 44.242 48.059 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 68.294 4.437 41.741 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 67.507 3.893 41.785 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 68.072 5.130 41.119 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 53.601 95.862 61.558 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 53.997 95.995 60.697 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 54.203 96.288 62.167 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 60.679 5.440 41.012 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 60.310 6.198 40.558 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 60.796 5.736 41.915 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 42.461 40.838 44.150 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 42.619 41.780 44.213 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 41.540 40.765 43.898 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 29.627 47.772 14.206 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 30.431 47.442 13.805 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 29.064 47.997 13.465 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 76.825 1.966 6.579 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 77.655 1.490 6.606 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 76.556 2.030 7.495 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 53.710 18.288 -10.863 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 53.341 17.815 -10.118 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 53.461 19.201 -10.715 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 27.963 86.474 55.905 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 27.050 86.691 56.093 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 28.448 87.272 56.114 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 39.286 65.398 8.556 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 39.628 66.268 8.763 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 39.953 64.794 8.884 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 22.000 30.690 22.485 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 21.994 31.646 22.441 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 21.258 30.421 21.943 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 87.917 46.240 -7.148 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 87.959 45.534 -6.503 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 87.457 46.949 -6.699 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 59.685 84.419 39.908 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 59.425 83.691 39.343 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 60.167 84.007 40.625 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 36.850 44.510 -18.460 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 36.488 44.461 -19.345 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 37.535 45.177 -18.517 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 52.241 12.917 6.439 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 52.355 13.620 7.079 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 51.388 12.537 6.650 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 54.589 73.158 56.787 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 55.033 72.719 57.512 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 53.904 72.546 56.519 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 87.586 45.499 66.141 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 88.111 45.953 66.800 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 87.098 44.841 66.636 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 86.880 22.314 44.689 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 87.125 21.454 45.032 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 86.484 22.128 43.838 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 46.705 8.353 33.642 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 46.199 7.928 32.949 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 47.581 8.457 33.271 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 68.693 24.808 54.913 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 69.418 24.874 54.291 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 68.019 25.388 54.559 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 36.520 20.808 17.051 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 36.673 20.672 16.116 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 36.896 21.669 17.232 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 70.057 50.216 58.525 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 70.108 51.117 58.844 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 70.152 50.292 57.575 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 81.037 25.841 61.555 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 80.615 26.628 61.898 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 81.972 25.990 61.693 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 60.811 42.677 64.565 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 60.233 42.587 63.807 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 60.980 43.617 64.628 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 79.406 74.727 10.794 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 78.637 74.325 10.390 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 79.120 75.611 11.025 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 63.201 71.482 -16.927 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 62.951 71.451 -16.003 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 62.869 70.663 -17.293 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 73.547 25.693 -18.951 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 73.602 24.804 -18.599 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 72.626 25.801 -19.188 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 61.257 64.157 33.730 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 61.475 63.781 32.877 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 60.319 63.996 33.830 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 80.142 71.600 65.640 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 79.434 71.582 64.996 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 80.313 70.678 65.835 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 47.515 33.485 40.125 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 47.522 34.442 40.119 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 48.214 33.236 39.520 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 54.537 45.471 64.410 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 55.435 45.145 64.346 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 54.632 46.391 64.657 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 29.799 47.049 62.002 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 29.424 47.436 62.794 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 30.680 46.780 62.261 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 87.320 66.973 58.508 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 87.784 67.042 59.343 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 86.995 67.858 58.341 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 34.144 41.148 5.976 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 34.894 41.155 6.570 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 33.966 42.072 5.803 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 22.643 19.423 48.984 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 22.616 19.235 48.046 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 21.994 20.115 49.109 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 62.633 95.903 38.168 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 63.322 96.372 38.639 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 62.646 96.278 37.288 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 42.376 6.469 -11.747 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 41.472 6.717 -11.943 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 42.438 6.523 -10.794 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 52.371 81.305 -15.375 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 52.059 80.520 -15.824 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 51.794 81.393 -14.616 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 78.792 56.550 47.353 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 78.838 57.077 46.556 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 79.360 57.003 47.975 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 30.187 95.042 41.488 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 30.566 95.211 40.626 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 29.769 95.868 41.732 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 38.567 13.125 -18.091 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 37.726 13.474 -17.796 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 39.124 13.897 -18.193 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 27.984 78.155 25.770 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 27.306 78.083 25.098 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 27.619 77.698 26.528 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 26.080 29.252 46.433 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 26.142 28.300 46.344 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 26.815 29.589 45.921 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 31.260 49.608 6.165 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 31.674 48.902 6.661 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 31.904 50.316 6.173 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 38.184 6.109 36.294 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 37.789 5.431 35.745 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 37.590 6.856 36.216 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 57.841 74.226 -18.334 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 58.211 73.644 -17.670 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 57.036 74.561 -17.938 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 76.275 69.138 44.755 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 76.445 68.898 45.665 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 76.925 69.812 44.559 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 46.948 57.147 -16.788 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 46.655 56.414 -16.247 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 47.348 57.758 -16.169 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 76.558 59.266 54.741 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 77.009 58.424 54.676 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 75.919 59.141 55.443 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 52.618 81.248 0.691 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 53.532 81.283 0.408 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 52.637 80.744 1.504 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 87.833 56.917 55.267 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 87.566 56.296 54.589 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 87.991 57.734 54.794 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 82.175 90.437 63.100 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 82.506 89.802 62.464 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 82.303 90.014 63.949 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 79.702 32.625 -5.550 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 79.890 32.022 -6.269 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 79.224 32.095 -4.912 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 40.395 54.424 9.808 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 40.904 55.227 9.699 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 41.051 53.728 9.853 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 32.942 45.950 -14.995 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 33.520 46.712 -14.971 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 32.161 46.256 -15.455 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 41.762 36.305 3.932 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 42.257 36.415 3.120 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 42.160 36.928 4.541 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 73.262 93.588 36.537 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 73.571 94.482 36.682 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 74.042 93.105 36.264 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 52.570 80.912 50.699 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 52.150 80.610 49.894 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 53.288 81.470 50.400 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 43.017 40.597 31.139 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 43.626 39.924 30.834 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 42.770 41.075 30.347 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 23.303 27.026 59.238 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 23.261 26.075 59.338 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 23.558 27.161 58.326 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 31.587 58.178 45.092 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 32.421 58.618 45.255 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 31.748 57.264 45.328 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 80.373 14.859 53.837 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 79.631 14.569 54.367 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 80.182 14.532 52.958 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 31.641 94.321 50.486 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 32.505 94.562 50.154 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 31.078 94.319 49.712 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 73.244 64.502 44.091 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 72.711 64.690 43.319 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 73.229 63.547 44.166 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 84.631 55.068 -17.576 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 83.947 54.399 -17.554 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 84.660 55.351 -18.490 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 45.988 81.284 23.701 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 45.736 80.461 23.283 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 45.471 81.311 24.507 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 49.888 82.662 11.364 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 50.133 83.162 12.143 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 50.424 81.870 11.409 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 54.558 78.042 6.678 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 55.431 77.828 7.009 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 54.270 77.247 6.230 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 85.790 8.937 59.651 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 86.450 9.619 59.777 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 85.521 9.030 58.737 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 76.661 91.778 -11.922 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 77.570 91.542 -12.107 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 76.704 92.687 -11.627 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 30.395 32.877 31.724 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 30.193 33.648 31.194 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 29.752 32.223 31.450 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 81.989 21.801 4.404 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 82.890 21.899 4.712 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 81.558 22.617 4.658 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 22.478 36.125 53.678 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 21.758 36.721 53.471 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 22.759 35.785 52.829 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 39.430 13.853 15.765 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 40.319 14.200 15.696 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 38.907 14.416 15.193 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 45.923 94.250 -14.006 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 45.864 93.319 -13.790 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 46.396 94.274 -14.837 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 35.648 64.239 33.120 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 35.900 65.158 33.216 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 36.229 63.767 33.716 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 45.282 7.447 -3.596 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 45.207 7.652 -2.664 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 44.710 8.082 -4.028 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 69.170 7.248 -11.749 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 68.950 6.932 -12.625 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 68.510 6.854 -11.179 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 44.706 0.567 34.523 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 45.042 0.421 35.408 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 45.426 0.309 33.948 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 86.912 60.145 55.284 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 87.243 59.949 56.161 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 86.091 59.655 55.222 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 48.881 24.795 60.046 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 49.142 25.096 59.176 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 49.551 24.157 60.291 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 68.520 42.342 14.080 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 67.867 41.917 13.525 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 68.007 42.826 14.727 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 89.412 93.223 -6.277 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 90.249 93.243 -5.814 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 89.209 94.143 -6.447 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 29.405 55.038 10.746 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 29.561 55.324 11.646 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 30.141 54.458 10.547 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 59.127 31.672 -8.840 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 60.072 31.813 -8.906 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 58.748 32.547 -8.922 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 90.142 82.137 66.581 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 90.103 82.585 65.736 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 89.487 81.442 66.515 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 28.090 82.199 -6.842 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 27.906 81.476 -7.441 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 27.447 82.870 -7.071 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 47.181 80.180 58.492 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 47.641 80.895 58.933 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 46.684 80.609 57.795 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 37.043 66.103 44.427 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 37.990 66.084 44.286 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 36.777 66.981 44.155 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 89.088 93.212 36.402 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 88.241 93.415 36.799 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 88.885 92.581 35.712 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 51.648 3.967 1.492 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 50.957 4.492 1.088 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 51.989 4.519 2.195 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 66.016 73.708 -2.735 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 65.281 73.102 -2.643 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 65.795 74.443 -2.162 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 36.002 85.999 11.856 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 36.466 85.245 11.493 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 35.313 86.187 11.217 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 62.398 82.547 37.763 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 61.749 82.270 37.117 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 63.231 82.221 37.423 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 43.022 79.567 51.221 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 43.519 79.538 52.038 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 42.578 78.720 51.181 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 47.804 22.339 58.902 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 48.198 23.141 59.245 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 48.538 21.854 58.524 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 58.483 87.091 -12.479 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 58.468 87.284 -13.417 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 59.404 87.176 -12.232 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 78.503 30.794 -3.779 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 78.214 30.359 -2.977 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 78.001 31.609 -3.804 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 57.688 3.558 29.068 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 58.537 3.953 28.870 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 57.294 4.148 29.711 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 38.162 41.151 29.756 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 38.918 41.738 29.729 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 38.332 40.510 29.065 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 26.858 47.474 34.604 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 26.059 47.571 34.086 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 26.761 46.627 35.039 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 71.371 22.380 45.838 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 71.365 22.565 46.778 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 70.702 21.705 45.723 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 66.101 84.442 -18.302 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 66.213 84.048 -19.167 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 65.173 84.318 -18.101 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 44.314 38.911 2.814 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 45.266 38.831 2.878 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 44.003 38.796 3.712 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 81.262 13.666 -6.469 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 80.320 13.509 -6.410 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 81.336 14.542 -6.847 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 64.045 89.725 48.090 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 63.227 89.564 48.560 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 64.430 90.483 48.529 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 22.973 84.348 62.042 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 23.487 84.973 62.554 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 23.623 83.851 61.546 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 49.807 33.541 -14.621 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 49.640 32.637 -14.354 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 49.642 34.058 -13.832 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 86.993 27.034 40.794 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 87.273 26.852 41.691 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 86.085 27.324 40.880 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 40.717 61.579 -12.722 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 40.460 62.419 -12.342 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 39.901 61.208 -13.058 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 31.558 37.905 23.555 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 31.766 37.324 24.287 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 32.411 38.179 23.217 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 76.669 21.587 34.409 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 77.558 21.756 34.096 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 76.732 20.750 34.870 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 47.707 95.861 3.268 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 47.561 96.791 3.098 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 46.831 95.504 3.419 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 84.281 77.675 10.824 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 84.498 77.068 11.532 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 83.857 77.129 10.161 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 37.070 57.645 -15.074 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 37.662 58.178 -15.605 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 37.648 57.055 -14.590 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 86.306 42.687 30.111 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 85.730 42.031 30.503 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 86.160 42.602 29.169 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 23.171 25.129 6.315 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 23.194 25.651 7.116 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 23.887 24.502 6.415 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 86.329 83.901 18.065 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 87.255 83.821 17.839 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 86.077 83.027 18.362 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 64.338 10.369 17.648 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 63.846 10.905 18.269 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 64.829 9.756 18.195 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 39.134 9.805 -13.625 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 39.286 10.126 -14.514 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 38.248 10.096 -13.413 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 80.053 46.329 -16.741 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 79.310 45.726 -16.757 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 80.210 46.541 -17.661 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 75.245 4.652 45.586 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 74.423 4.209 45.376 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 75.890 4.250 45.004 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 61.480 67.133 65.666 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 60.926 66.838 66.389 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 61.437 68.089 65.706 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 40.495 44.396 2.913 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 39.737 43.811 2.907 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 40.431 44.863 3.746 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 22.175 12.716 49.701 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 22.262 13.086 50.579 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 22.711 13.283 49.147 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 64.240 17.087 44.456 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 64.883 17.039 43.747 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 64.487 17.868 44.951 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 26.462 35.761 8.200 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 26.840 35.792 7.322 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 26.396 36.678 8.466 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 26.997 79.771 43.231 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 27.074 78.993 42.677 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 27.862 79.868 43.629 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 61.793 16.705 23.962 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 60.961 17.153 24.116 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 61.794 16.517 23.024 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 65.213 1.897 -7.439 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 64.889 2.681 -7.882 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 64.623 1.199 -7.724 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 54.143 75.512 55.755 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 53.214 75.301 55.661 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 54.519 74.749 56.194 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 29.709 92.619 -1.840 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 28.915 92.487 -1.321 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 30.334 91.986 -1.486 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 34.548 88.960 37.371 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 34.189 88.349 38.014 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 35.497 88.874 37.462 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 58.868 46.435 37.294 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 58.790 47.339 36.987 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 58.887 46.508 38.249 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 24.745 48.530 -3.834 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 24.705 47.954 -3.070 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 24.891 49.402 -3.469 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 52.267 12.746 0.449 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 52.574 12.715 1.355 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 51.370 13.073 0.511 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 25.732 52.167 20.243 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 25.460 51.416 20.771 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 26.416 51.822 19.669 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 63.848 63.041 50.959 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 63.441 62.192 50.791 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 63.363 63.654 50.407 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 22.388 19.512 -17.429 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 22.684 20.329 -17.830 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 21.707 19.188 -18.019 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 20.351 57.246 49.608 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 20.804 57.689 50.326 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 21.052 56.858 49.085 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 78.251 88.025 -11.409 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 78.963 87.395 -11.515 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 78.663 88.879 -11.542 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 25.827 12.050 0.462 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 26.494 11.431 0.760 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 26.265 12.901 0.479 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 57.618 23.105 -11.483 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 57.321 22.325 -11.014 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 57.328 22.967 -12.385 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 41.872 83.503 60.749 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 42.605 83.277 60.177 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 41.736 84.440 60.608 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 38.842 26.739 39.314 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 39.501 26.555 38.644 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 38.688 25.894 39.737 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 63.385 91.260 58.269 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 63.067 91.983 57.728 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 63.634 90.582 57.640 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 26.692 85.595 59.253 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 27.411 85.255 58.719 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 27.118 86.160 59.897 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 55.323 19.317 36.397 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 54.600 19.940 36.324 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 55.314 18.840 35.567 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 71.494 27.359 64.349 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 71.164 28.028 63.749 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 72.118 26.855 63.827 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 50.192 9.526 60.761 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 50.395 8.592 60.726 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 49.974 9.690 61.678 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 89.521 91.737 52.787 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 89.400 92.644 52.505 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 88.852 91.603 53.458 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 61.652 27.341 0.200 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 61.047 27.855 -0.335 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 61.238 26.480 0.270 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 30.197 67.251 50.265 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 30.485 66.551 49.679 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 29.264 67.352 50.079 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 31.029 48.925 40.989 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 31.754 48.347 40.752 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 31.447 49.663 41.433 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 25.182 65.179 48.391 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 24.676 65.717 48.999 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 24.629 64.414 48.229 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 84.763 4.273 -15.071 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 85.098 4.479 -15.944 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 84.901 3.330 -14.978 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 40.081 24.949 50.335 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 40.666 24.413 49.800 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 40.125 25.820 49.939 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 42.960 54.463 -4.209 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 43.656 54.662 -3.583 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 43.370 53.875 -4.844 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 78.764 31.197 29.244 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 78.403 31.757 29.932 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 78.605 31.681 28.433 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 64.914 23.495 7.052 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 64.102 23.746 6.613 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 65.389 22.976 6.403 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 55.406 12.776 67.060 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 55.519 11.855 67.297 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 54.723 12.768 66.389 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 78.757 62.521 20.492 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 77.975 62.321 21.007 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 78.419 62.885 19.674 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 56.460 8.913 -8.149 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 55.942 8.113 -8.240 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 55.878 9.611 -8.448 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 31.344 13.105 41.346 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 32.070 12.690 41.812 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 30.573 12.906 41.877 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 34.889 29.414 17.719 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 35.089 28.622 18.218 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 35.007 30.128 18.345 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 64.202 58.067 53.999 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 63.619 57.411 53.617 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 63.699 58.881 53.971 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 23.052 31.814 30.786 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 23.711 32.476 30.579 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 23.124 31.174 30.078 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 33.153 68.555 -5.611 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 32.293 68.138 -5.673 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 33.644 68.204 -6.353 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 60.535 16.728 52.361 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 60.672 17.673 52.433 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 61.236 16.428 51.782 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 37.777 14.478 0.464 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 37.842 15.432 0.425 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 38.685 14.176 0.475 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 47.464 20.493 61.078 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 47.268 21.044 60.319 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 47.745 19.659 60.702 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 51.738 14.203 64.354 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 52.057 13.471 64.882 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 51.991 14.984 64.846 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 33.832 24.965 -7.892 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 34.068 24.831 -6.974 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 34.322 24.294 -8.367 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 86.838 33.735 2.826 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 86.191 33.046 2.982 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 86.766 34.308 3.589 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 68.446 22.789 58.372 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 68.976 23.546 58.122 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 67.701 23.163 58.843 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 29.656 48.986 48.257 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 28.996 49.321 47.649 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 29.981 49.763 48.710 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 80.171 13.142 5.238 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 80.069 12.438 5.878 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 80.517 13.878 5.743 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 35.855 67.422 41.475 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 36.601 67.592 40.900 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 35.555 66.548 41.226 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 56.404 21.145 -8.756 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 56.497 21.158 -7.804 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 56.926 20.394 -9.038 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 45.041 23.586 58.214 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 45.833 23.223 58.611 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 44.691 24.181 58.876 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 37.904 74.416 -13.300 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 38.312 73.738 -12.761 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 36.966 74.235 -13.243 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 70.046 39.053 56.200 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 69.911 39.950 55.894 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 70.284 38.564 55.413 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 77.414 48.965 -14.841 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 77.169 49.070 -13.922 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 76.684 48.482 -15.230 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 50.236 42.980 47.279 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 49.827 43.809 47.032 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 51.049 42.954 46.774 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 52.717 10.386 37.088 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 52.630 10.041 37.976 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 52.312 11.253 37.126 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 47.265 61.356 52.933 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 48.153 61.222 52.601 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 46.720 61.406 52.147 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 33.042 76.887 4.948 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 32.968 77.611 5.571 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 32.487 77.145 4.212 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 71.241 3.397 25.719 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 71.114 2.543 25.305 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 71.914 3.245 26.382 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 68.341 83.328 51.638 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 68.235 82.437 51.971 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 69.075 83.270 51.027 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 59.592 93.313 0.307 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 59.117 92.744 -0.298 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 59.160 93.180 1.151 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 26.845 1.500 43.976 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 26.466 1.411 43.101 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 26.531 0.733 44.454 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 29.012 93.007 63.311 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 28.184 93.245 62.894 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 29.162 92.099 63.047 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 43.127 6.744 47.829 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 43.021 7.187 46.987 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 42.518 7.193 48.415 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 74.782 11.704 42.124 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 74.240 11.251 42.771 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 75.299 12.325 42.637 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 37.159 54.308 -13.967 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 37.201 53.482 -13.485 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 36.784 54.931 -13.345 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 79.576 11.665 52.934 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 79.442 11.429 52.016 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 78.818 12.207 53.155 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 23.524 61.486 1.891 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 23.701 62.350 2.263 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 23.274 60.948 2.642 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 83.424 0.942 -16.816 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 83.415 1.763 -17.306 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 83.899 1.148 -16.011 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 65.669 9.430 1.107 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 65.547 10.357 1.314 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 65.220 8.965 1.813 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 73.977 57.879 59.372 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 73.231 58.033 58.792 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 74.130 56.936 59.321 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 86.900 13.630 43.713 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 87.238 14.389 44.189 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 87.365 12.884 44.091 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 70.462 71.198 27.180 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 69.508 71.269 27.153 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 70.737 71.882 27.791 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 44.170 29.070 39.259 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 44.834 29.598 39.702 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 43.527 28.873 39.940 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 48.873 78.068 38.740 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 49.804 78.206 38.565 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 48.845 77.720 39.631 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 81.310 13.299 47.486 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 81.425 12.460 47.931 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 82.151 13.462 47.060 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 85.230 32.621 52.660 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 86.034 32.572 52.142 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 85.511 32.970 53.506 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 63.526 62.433 58.204 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 62.651 62.801 58.327 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 63.378 61.614 57.731 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 55.886 77.239 -6.905 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 55.637 76.342 -6.684 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 56.823 77.189 -7.095 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 45.597 62.046 60.339 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 46.420 62.123 59.857 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 45.763 62.489 61.171 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 80.781 83.642 46.806 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 81.719 83.637 46.613 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 80.362 83.785 45.958 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 39.449 72.924 -0.794 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 39.391 71.975 -0.686 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 39.246 73.277 0.073 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 59.896 18.980 6.399 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 59.821 19.917 6.578 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 60.084 18.587 7.251 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 83.099 92.548 65.008 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 83.572 91.754 65.257 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 82.383 92.238 64.454 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 83.597 47.937 66.782 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 82.846 47.658 66.259 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 83.283 48.701 67.266 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 48.790 73.176 51.654 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 48.452 72.998 50.777 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 48.025 73.107 52.225 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 83.545 85.854 42.539 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 83.111 86.136 41.733 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 83.087 86.325 43.235 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 28.497 8.440 48.285 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 27.845 8.686 47.628 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 29.121 9.166 48.287 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 34.103 46.142 37.816 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 33.895 46.262 36.889 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 34.244 45.201 37.910 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 57.923 39.354 39.489 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 58.026 38.889 38.659 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 57.946 40.281 39.250 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 39.746 71.007 28.451 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 40.229 70.307 28.011 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 40.366 71.735 28.496 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 39.290 68.394 -8.299 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 39.283 68.101 -7.388 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 39.896 69.135 -8.308 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 54.874 51.079 60.397 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 54.839 50.826 59.475 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 53.999 51.417 60.587 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 61.384 95.588 47.800 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 60.717 94.931 48.003 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 61.752 95.305 46.963 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 78.389 89.608 63.862 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 78.119 89.803 64.760 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 79.123 89.002 63.958 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 76.612 47.928 -9.822 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 76.423 47.676 -8.918 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 77.482 48.325 -9.783 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 40.410 13.358 36.503 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 40.145 13.665 35.635 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 41.284 13.727 36.631 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 48.994 60.050 61.621 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 48.780 60.456 62.461 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 48.810 59.120 61.750 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 22.134 59.401 38.698 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 21.950 59.329 39.635 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 23.031 59.080 38.604 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 49.635 9.485 52.493 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 49.167 8.807 52.981 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 49.996 9.027 51.733 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 74.079 27.064 43.848 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 74.250 26.515 43.083 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 74.054 27.956 43.503 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 50.016 29.346 -18.928 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 49.978 29.762 -19.789 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 49.118 29.390 -18.601 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 21.874 4.560 53.115 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 21.095 4.108 53.439 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 22.226 3.979 52.441 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 39.303 85.420 22.059 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 40.009 85.273 22.688 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 39.673 85.156 21.217 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 38.084 8.525 52.976 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 38.995 8.576 53.263 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 37.609 9.093 53.583 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 50.131 41.026 31.992 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 50.182 41.728 31.343 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 50.027 40.227 31.475 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 44.014 15.236 50.304 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 43.195 15.314 50.793 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 43.790 14.697 49.545 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 70.890 25.030 -8.200 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 71.474 25.757 -7.983 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 71.478 24.302 -8.400 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 72.808 96.159 31.789 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 72.751 96.957 32.313 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 72.402 95.484 32.333 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 32.593 26.920 -0.693 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 32.594 27.142 -1.624 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 33.195 27.549 -0.295 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 21.508 90.205 -16.437 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 22.228 90.429 -17.025 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 21.856 89.503 -15.887 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 37.619 39.667 43.897 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 38.339 39.138 43.554 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 37.152 39.971 43.119 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 81.205 59.695 23.067 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 80.649 59.748 23.845 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 81.300 58.757 22.903 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 83.373 82.892 31.709 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 82.444 83.105 31.803 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 83.392 81.939 31.620 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 52.387 74.594 52.349 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 52.262 75.538 52.259 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 51.913 74.364 53.148 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 48.122 88.947 40.346 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 47.246 88.665 40.083 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 48.321 88.423 41.122 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 35.690 60.830 35.199 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 36.325 60.374 34.647 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 35.113 61.279 34.580 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 68.048 22.914 29.521 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 68.220 22.939 28.580 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 68.106 23.828 29.800 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 82.423 95.274 31.579 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 82.510 94.755 30.779 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 81.806 95.969 31.348 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 57.542 80.915 44.679 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 57.666 79.976 44.816 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 56.593 81.033 44.674 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 89.175 67.484 61.037 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 88.698 67.131 61.788 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 88.997 68.424 61.060 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 31.006 14.173 8.818 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 31.563 13.845 9.524 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 31.573 14.762 8.320 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 77.152 3.404 63.682 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 77.285 3.966 62.918 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 76.301 2.992 63.531 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 28.565 58.153 15.768 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 29.058 57.727 15.067 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 29.086 58.924 15.993 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 56.122 93.338 -3.578 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 56.341 93.469 -2.655 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 55.242 93.702 -3.670 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 48.457 6.039 60.708 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 47.885 6.559 61.273 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 47.885 5.734 60.004 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 68.103 84.956 -3.292 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 68.114 84.849 -2.341 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 68.971 85.298 -3.505 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 31.604 88.354 -7.668 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 31.046 87.576 -7.668 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 31.634 88.628 -6.751 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 35.081 30.242 6.264 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 36.023 30.268 6.431 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 34.820 29.351 6.498 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 25.272 30.987 37.200 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 25.629 31.505 36.479 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 25.462 30.080 36.963 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 25.976 83.894 48.727 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 25.829 83.344 49.496 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 25.491 84.698 48.911 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 31.421 31.037 3.188 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 31.111 30.149 3.009 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 30.670 31.597 2.991 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 53.438 53.542 44.594 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 53.008 54.326 44.251 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 54.090 53.317 43.931 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 36.905 47.874 52.869 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 37.505 48.064 53.590 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 37.300 48.302 52.109 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 79.066 90.045 -1.834 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 78.616 89.790 -1.028 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 79.445 89.230 -2.165 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 24.429 30.535 17.424 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 25.046 30.098 18.012 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 24.626 31.467 17.519 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 77.371 79.377 52.468 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 76.829 79.067 53.194 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 77.951 80.028 52.863 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 27.439 30.879 20.838 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 26.904 31.629 20.579 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 28.284 31.259 21.080 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 33.334 77.792 -3.490 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 34.126 77.261 -3.576 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 33.357 78.112 -2.588 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 77.509 64.383 57.007 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 76.927 65.125 56.838 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 78.375 64.692 56.742 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 66.638 1.047 30.557 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 67.208 0.466 30.052 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 66.509 0.592 31.390 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 85.750 19.834 53.450 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 86.365 20.079 54.141 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 85.527 18.923 53.640 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 71.937 39.589 18.406 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 72.704 39.595 17.832 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 72.008 38.769 18.893 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 54.676 58.128 -4.317 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 54.949 58.370 -3.432 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 55.445 58.301 -4.860 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 81.333 30.710 -19.710 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 80.838 31.527 -19.646 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 80.737 30.042 -19.370 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 61.301 54.081 65.184 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 61.412 54.610 64.394 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 61.412 54.700 65.905 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 88.789 92.918 39.783 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 89.246 92.137 40.096 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 88.678 92.771 38.844 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 31.522 17.429 -4.472 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 31.753 16.511 -4.334 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 32.142 17.917 -3.930 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 89.354 38.607 43.942 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 89.522 37.811 44.447 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 88.400 38.681 43.919 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 39.245 38.150 2.601 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 39.246 38.480 1.702 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 39.923 38.660 3.045 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 30.110 42.808 61.664 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 29.902 42.167 60.983 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 30.781 42.382 62.197 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 58.403 67.588 27.152 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 58.248 66.668 26.940 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 58.030 68.071 26.415 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 51.735 37.802 62.504 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 51.778 38.261 63.343 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 52.315 38.300 61.928 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 35.197 79.452 50.033 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 35.723 79.589 49.245 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 34.291 79.528 49.732 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 34.336 1.181 44.683 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 33.435 1.166 44.359 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 34.700 0.336 44.418 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 35.920 75.215 28.769 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 35.975 74.919 27.861 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 36.813 75.479 28.990 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 69.574 44.705 -16.640 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 69.804 45.492 -17.134 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 70.262 44.627 -15.979 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 76.192 61.213 49.209 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 76.237 61.325 50.158 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 75.296 60.920 49.044 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 38.277 17.271 26.781 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 38.523 18.172 26.991 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 39.100 16.784 26.813 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 80.359 5.628 4.322 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 79.565 5.996 3.933 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 80.744 5.097 3.625 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 84.799 17.232 43.892 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 83.933 17.619 43.761 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 85.406 17.968 43.806 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 36.122 82.416 47.111 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 36.238 83.347 47.299 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 36.086 82.367 46.156 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 62.841 23.454 22.944 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 62.415 24.303 23.068 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 62.120 22.844 22.791 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 46.526 85.143 -1.049 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 47.262 84.720 -1.491 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 46.932 85.793 -0.475 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 33.137 82.714 8.448 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 33.618 83.521 8.261 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 32.218 82.948 8.319 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 54.364 15.245 -9.924 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 54.561 15.239 -8.987 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 53.430 15.041 -9.974 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 48.574 34.148 44.977 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 47.787 34.681 44.859 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 49.251 34.774 45.235 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 49.192 30.916 -6.037 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 48.532 31.255 -5.433 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 49.568 30.162 -5.584 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 30.998 17.711 36.998 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 31.276 16.795 37.008 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 31.795 18.202 36.800 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 65.683 4.460 13.863 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 66.049 5.245 14.272 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 65.746 3.785 14.539 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 71.226 49.088 -19.180 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 70.709 49.858 -18.943 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 72.039 49.446 -19.536 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 81.757 20.044 53.637 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 80.967 19.901 53.116 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 82.375 19.384 53.321 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 21.761 13.817 45.503 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 21.448 13.555 46.369 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 22.700 13.633 45.522 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 39.308 53.195 61.071 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 38.440 53.292 61.463 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 39.394 52.255 60.910 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 28.917 36.059 42.199 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 29.754 36.256 42.620 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 28.308 36.700 42.566 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 66.521 64.296 44.829 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 66.442 65.019 44.207 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 65.621 64.005 44.974 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 57.495 30.184 -6.784 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 58.081 30.579 -7.430 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 57.889 30.401 -5.939 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 26.769 47.930 25.933 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 27.472 48.423 26.356 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 26.923 48.050 24.996 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 90.267 17.148 58.822 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 89.528 16.573 59.018 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 90.897 16.976 59.521 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 21.173 95.692 34.691 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 20.505 95.364 34.088 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 21.088 96.644 34.649 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 69.506 91.052 30.072 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 69.565 90.101 30.167 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 70.101 91.258 29.351 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 81.204 86.783 -19.628 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 80.695 87.585 -19.511 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 82.044 86.969 -19.206 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 60.135 39.124 3.649 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 59.581 39.390 4.383 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 59.664 39.426 2.872 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 74.833 83.179 24.084 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 75.333 83.993 24.135 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 74.590 83.105 23.161 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 25.291 48.279 28.028 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 24.350 48.398 27.903 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 25.638 48.158 27.144 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 62.033 14.826 -18.942 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 62.623 14.139 -18.630 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 62.402 15.636 -18.589 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 54.059 7.287 -0.444 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 54.166 6.432 -0.861 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 53.835 7.085 0.464 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 25.566 81.997 19.502 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 25.281 81.207 19.962 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 24.976 82.066 18.752 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 82.325 50.226 -9.794 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 83.119 49.709 -9.656 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 81.611 49.590 -9.733 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 31.164 48.124 -11.454 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 31.384 48.957 -11.037 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 30.686 47.638 -10.781 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 64.302 26.652 1.575 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 64.234 26.503 2.518 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 63.415 26.890 1.305 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 64.404 50.199 66.348 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 64.756 50.766 67.034 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 63.869 49.558 66.817 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 88.285 6.311 -17.356 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 88.211 6.795 -18.178 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 88.181 6.977 -16.675 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 29.313 61.121 -17.737 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 28.488 60.637 -17.763 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 29.108 61.918 -17.247 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 30.629 61.890 47.078 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 30.023 62.431 46.571 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 30.964 61.251 46.449 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 40.360 71.791 35.221 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 40.629 72.709 35.219 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 39.953 71.662 36.078 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 59.154 70.742 -7.637 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 60.033 71.032 -7.393 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 58.566 71.317 -7.147 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 29.200 61.869 -10.207 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 28.890 61.068 -10.630 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 28.663 61.947 -9.418 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 78.129 38.497 55.529 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 77.585 39.015 54.936 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 78.781 39.116 55.859 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 87.983 53.036 40.586 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 88.529 52.611 39.925 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 88.542 53.718 40.958 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 60.527 54.342 53.221 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 60.603 53.596 52.626 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 59.594 54.557 53.217 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 21.856 7.535 61.660 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 21.955 6.612 61.893 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 22.598 7.718 61.085 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 85.855 47.915 -12.262 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 85.232 48.147 -11.573 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 85.307 47.663 -13.005 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 48.208 37.937 -12.314 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 48.150 38.713 -11.757 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 48.249 37.204 -11.701 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 77.090 3.176 56.085 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 77.544 2.570 56.671 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 77.253 2.828 55.208 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 89.241 35.885 -2.014 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 88.878 36.667 -1.599 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 89.910 35.578 -1.402 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 88.238 21.864 55.060 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 88.846 22.603 55.090 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 87.379 22.254 55.226 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 87.424 93.252 -17.153 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 87.910 92.953 -17.922 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 87.605 92.591 -16.484 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 36.167 57.122 38.821 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 36.814 57.297 39.504 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 35.826 57.984 38.586 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 87.262 49.087 0.508 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 86.834 48.384 0.997 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 86.552 49.687 0.279 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 67.270 46.593 -8.684 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 66.802 47.057 -7.990 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 67.596 47.286 -9.258 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 71.349 26.745 43.017 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 71.367 27.672 43.257 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 71.923 26.684 42.253 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 38.063 16.862 -18.396 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 38.756 16.273 -18.098 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 37.859 17.400 -17.630 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 88.578 3.000 42.167 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 88.678 3.200 43.098 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 88.214 2.115 42.149 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 55.194 65.184 43.885 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 54.547 64.480 43.859 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 54.675 65.988 43.893 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 29.546 50.574 -18.601 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 30.246 50.070 -18.186 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 29.988 51.339 -18.970 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 36.900 32.865 60.605 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 37.499 33.533 60.271 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 37.453 32.290 61.134 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 27.620 58.998 20.813 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 27.050 59.031 20.045 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 27.845 59.913 20.984 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 73.668 9.122 46.311 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 73.949 9.027 47.221 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 74.142 8.436 45.841 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 34.079 34.385 32.903 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 34.989 34.205 33.141 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 34.137 34.843 32.065 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 37.743 93.213 44.130 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 37.446 94.078 44.414 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 38.261 92.884 44.864 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 47.585 89.129 -5.316 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 46.870 88.721 -5.804 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 47.651 88.613 -4.512 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 29.239 42.551 12.655 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 29.092 43.452 12.367 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 29.752 42.637 13.459 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 68.228 72.005 60.471 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 69.132 71.854 60.194 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 68.137 71.498 61.278 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 36.007 33.779 47.974 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 36.722 33.194 48.226 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 35.444 33.815 48.747 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 35.853 54.345 28.716 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 35.455 54.403 27.847 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 36.467 55.078 28.748 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 62.696 57.438 -15.680 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 62.900 58.253 -15.222 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 61.824 57.198 -15.365 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 31.731 76.139 -11.836 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 32.122 76.582 -11.082 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 32.308 75.393 -12.001 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 38.828 33.792 46.880 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 38.350 34.545 47.226 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 39.558 33.671 47.488 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 66.008 23.485 -15.622 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 66.417 23.301 -16.467 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 65.070 23.385 -15.782 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 31.874 57.041 33.414 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 31.736 57.908 33.032 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 32.825 56.937 33.438 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 54.289 43.168 52.024 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 54.814 43.961 51.918 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 53.391 43.450 51.850 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 27.276 69.168 26.315 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 26.531 69.015 26.897 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 28.044 69.068 26.877 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 89.961 43.467 58.712 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 89.800 42.548 58.500 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 89.848 43.518 59.661 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 25.964 10.251 -18.116 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 26.353 9.458 -18.487 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 25.536 9.955 -17.313 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 51.576 80.330 20.291 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 51.157 80.327 21.151 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 52.458 80.665 20.454 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 58.201 39.790 65.602 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 58.829 40.354 66.053 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 57.876 39.201 66.284 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 52.639 32.416 -9.283 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 53.565 32.228 -9.439 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 52.326 31.672 -8.768 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 71.114 94.436 50.845 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 70.158 94.475 50.807 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 71.309 93.520 51.039 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 35.018 5.386 -8.129 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 35.139 4.439 -8.198 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 34.221 5.563 -8.627 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 28.152 24.444 2.804 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 27.276 24.322 3.169 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 28.212 25.384 2.634 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 48.943 70.993 58.444 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 48.139 70.673 58.034 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 48.912 70.646 59.335 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 61.913 95.203 5.536 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 62.364 96.014 5.301 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 62.316 94.535 4.981 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 22.730 60.116 61.777 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 22.972 60.045 60.854 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 21.840 60.467 61.765 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 53.759 76.887 42.154 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 53.352 76.110 41.771 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 53.080 77.561 42.109 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 88.886 47.529 -1.664 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 88.117 47.221 -2.143 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 88.531 48.093 -0.977 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 57.276 75.083 53.389 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 57.455 75.998 53.606 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 56.326 75.042 53.284 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 77.251 78.923 4.268 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 76.405 78.486 4.361 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 77.052 79.734 3.799 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 47.483 31.944 63.544 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 47.203 31.332 62.864 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 46.984 32.742 63.368 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 40.986 90.883 55.399 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 40.906 91.468 54.646 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 40.612 90.054 55.100 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 90.232 34.648 0.341 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 91.096 35.052 0.423 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 89.919 34.566 1.242 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 63.832 78.888 11.729 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 63.326 78.145 11.400 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 64.050 78.650 12.630 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 62.402 89.670 13.430 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 61.852 89.478 12.670 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 62.277 88.920 14.011 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 38.508 36.051 44.242 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 37.776 35.554 43.877 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 39.100 35.384 44.591 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 34.666 70.387 32.635 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 34.963 69.535 32.317 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 35.241 71.018 32.201 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 75.277 96.164 45.909 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 74.699 95.413 46.046 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 74.750 96.782 45.402 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 24.842 47.140 48.157 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 24.264 46.820 47.464 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 25.073 48.028 47.886 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 80.892 36.292 51.804 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 81.523 37.009 51.739 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 80.162 36.660 52.301 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 29.181 19.769 62.512 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 29.937 19.559 61.963 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 28.745 18.928 62.652 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 68.971 16.660 -9.778 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 68.193 16.138 -9.582 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 69.391 16.201 -10.506 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 30.062 27.800 39.344 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 29.468 28.238 39.953 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 30.471 27.108 39.863 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 33.532 55.176 15.329 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 34.442 55.244 15.616 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 33.276 56.075 15.125 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 28.249 35.636 -11.064 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 27.921 36.211 -11.755 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 28.443 36.225 -10.335 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 82.749 32.350 22.360 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 82.838 33.303 22.351 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 83.051 32.088 23.229 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 54.745 3.730 41.700 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 54.809 4.651 41.953 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 55.342 3.276 42.294 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 42.002 53.119 14.329 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 42.261 53.057 15.249 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 41.397 53.861 14.299 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 73.909 20.508 62.129 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 74.845 20.633 62.286 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 73.724 19.634 62.472 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 41.327 44.543 -16.871 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 41.033 45.427 -16.652 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 41.415 44.102 -16.026 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 65.918 91.328 62.873 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 65.383 90.731 63.397 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 66.453 90.754 62.326 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 50.155 90.379 39.186 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 49.400 90.867 38.857 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 49.777 89.705 39.751 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 49.383 73.678 5.435 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 49.040 72.790 5.330 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 50.121 73.581 6.037 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 60.819 27.764 57.062 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 59.926 27.734 57.405 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 60.758 28.313 56.281 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 51.262 6.667 61.191 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 51.832 6.214 60.570 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 50.402 6.267 61.063 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 61.919 40.577 25.593 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 61.689 41.416 25.992 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 61.199 40.392 24.990 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 56.417 53.332 63.784 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 56.786 54.027 63.238 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 56.510 53.656 64.680 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 47.755 17.747 39.022 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 47.274 18.575 39.015 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 47.948 17.574 38.101 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 48.555 80.678 3.330 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 48.686 79.754 3.540 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 49.360 81.107 3.622 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 78.503 2.689 42.759 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 78.661 3.467 42.225 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 77.869 2.973 43.417 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 56.256 10.162 -13.672 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 56.060 10.684 -14.450 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 56.669 9.369 -14.013 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 74.245 0.505 -16.314 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 73.831 1.068 -16.968 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 74.082 -0.385 -16.625 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 77.167 41.633 61.393 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 77.858 41.997 60.840 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 77.568 40.868 61.805 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 25.559 87.198 -18.614 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 25.749 87.422 -17.703 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 25.185 86.318 -18.572 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 72.204 32.824 -6.547 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 72.630 33.488 -6.005 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 72.232 32.027 -6.017 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 71.353 78.081 24.347 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 70.580 78.521 24.699 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 71.588 77.438 25.016 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 52.517 93.444 23.330 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 53.313 93.726 23.781 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 52.277 92.622 23.757 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 75.845 34.216 53.241 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 76.368 34.096 52.449 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 76.018 33.433 53.764 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 74.925 38.964 44.307 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 75.374 39.466 43.626 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 75.540 38.267 44.537 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 71.698 38.108 -3.223 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 71.102 37.520 -3.687 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 71.653 38.930 -3.712 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 55.922 9.197 17.983 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 55.685 9.082 17.062 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 56.654 9.813 17.967 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 27.248 31.821 47.810 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 26.677 31.258 47.286 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 27.749 31.213 48.354 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 70.958 56.063 15.213 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 70.012 56.194 15.280 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 71.053 55.175 14.869 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 47.125 19.490 -3.106 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 46.574 18.989 -3.707 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 47.660 18.831 -2.664 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 60.602 38.106 55.001 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 60.665 38.378 54.085 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 59.730 38.391 55.277 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 45.500 45.297 45.793 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 45.829 44.509 45.360 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 46.212 45.931 45.711 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 30.726 34.882 50.573 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 30.996 35.780 50.764 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 31.547 34.410 50.430 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 36.536 92.256 58.073 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 36.503 92.805 58.856 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 37.467 92.068 57.950 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 36.833 90.368 -9.653 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 36.548 91.094 -9.098 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 36.887 90.745 -10.531 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 61.091 16.022 -9.609 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 61.977 16.320 -9.404 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 60.521 16.577 -9.077 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 33.492 5.441 66.530 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 32.834 5.290 67.209 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 33.263 6.294 66.159 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 75.765 51.087 -9.435 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 75.246 51.714 -8.931 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 75.974 50.392 -8.812 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 52.126 15.139 59.773 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 51.467 14.518 59.464 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 52.308 15.693 59.014 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 34.665 76.197 67.231 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 34.661 76.148 66.275 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 34.114 76.952 67.435 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 56.676 79.585 66.799 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 57.416 80.176 66.659 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 57.075 78.773 67.113 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 27.266 69.434 -10.249 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 27.307 68.532 -9.929 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 26.861 69.924 -9.533 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 86.730 9.442 -6.973 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 86.348 10.016 -7.635 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 87.663 9.658 -6.977 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 36.403 40.605 32.902 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 37.357 40.601 32.979 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 36.236 40.855 31.993 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 90.142 37.996 28.646 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 90.982 37.755 28.257 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 89.879 38.789 28.178 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 24.141 13.995 48.347 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 24.069 14.939 48.207 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 25.073 13.846 48.507 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 86.427 16.757 41.707 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 85.523 16.700 42.015 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 86.952 16.448 42.445 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 73.126 39.629 -9.511 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 73.224 40.566 -9.683 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 73.843 39.419 -8.913 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 89.770 55.021 59.844 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 89.288 55.658 59.317 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 90.037 55.507 60.624 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 36.440 34.548 26.708 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 37.326 34.823 26.944 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 36.090 35.278 26.198 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 47.355 44.464 -17.760 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 47.124 43.721 -18.317 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 47.258 44.133 -16.867 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 69.463 51.295 -12.028 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 69.239 50.444 -12.406 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 68.652 51.595 -11.617 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 49.612 26.957 66.387 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 50.112 27.573 66.922 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 49.269 27.486 65.668 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 61.866 56.817 34.239 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 61.007 57.020 33.868 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 62.214 57.665 34.515 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 31.735 39.164 65.350 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 31.586 38.885 66.254 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 31.488 38.405 64.821 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 39.113 17.476 22.261 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 39.271 17.664 23.187 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 39.913 17.760 21.819 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 22.660 52.051 15.197 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 23.568 51.779 15.335 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 22.683 52.560 14.386 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 84.657 7.253 51.614 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 84.573 6.528 50.995 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 85.431 7.733 51.318 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 49.760 86.674 -16.949 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 48.974 86.140 -16.838 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 50.295 86.478 -16.180 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 36.552 37.453 40.334 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 36.071 37.040 41.051 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 35.916 37.513 39.621 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 45.402 53.275 -2.243 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 45.313 52.823 -1.404 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 45.440 54.203 -2.013 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 44.657 33.894 45.493 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 44.933 33.240 44.851 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 44.779 34.733 45.048 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 31.941 29.112 57.197 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 31.852 30.033 56.952 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 32.885 28.953 57.192 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 53.916 21.620 -9.917 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 54.770 21.251 -9.692 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 53.728 22.238 -9.211 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 50.462 90.073 62.075 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 51.189 90.392 62.609 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 50.682 90.344 61.183 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 33.187 87.790 45.215 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 32.916 86.982 45.650 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 33.794 87.503 44.533 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 81.642 91.659 -0.222 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 81.986 91.128 -0.941 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 80.744 91.864 -0.483 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 80.453 56.884 -12.669 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 80.137 56.184 -12.097 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 80.141 57.689 -12.257 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 75.056 74.944 46.780 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 75.504 75.457 47.454 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 74.581 75.593 46.261 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 40.453 49.421 33.299 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 40.607 50.265 32.875 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 40.388 49.629 34.231 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 25.873 44.806 33.523 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 25.418 44.387 32.793 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 26.607 45.267 33.117 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 63.618 23.837 -16.873 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 63.215 24.700 -16.778 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 63.548 23.641 -17.807 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 71.585 17.609 43.896 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 71.469 18.105 43.085 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 70.908 16.933 43.862 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 24.910 21.027 41.833 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 25.525 21.672 42.183 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 24.057 21.459 41.880 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 80.244 26.487 43.038 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 79.581 27.059 42.650 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 79.938 26.339 43.933 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 30.732 31.568 20.252 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 30.946 31.425 21.174 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 30.645 30.687 19.887 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 48.162 0.660 6.556 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 48.999 0.834 6.986 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 48.335 -0.092 5.989 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 28.710 40.996 -15.880 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 29.650 40.861 -15.764 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 28.453 41.541 -15.136 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 79.133 65.610 -9.964 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 78.967 66.469 -9.575 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 78.348 65.100 -9.764 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 35.330 40.919 13.096 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 35.590 40.709 13.994 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 35.142 41.857 13.114 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 37.958 57.526 10.552 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 38.798 57.531 10.094 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 38.182 57.337 11.463 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 38.623 54.915 -10.846 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 37.952 54.441 -11.337 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 38.132 55.445 -10.218 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 34.711 10.415 -6.420 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 34.547 9.616 -5.918 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 34.750 10.122 -7.330 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 36.629 15.822 44.471 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 36.206 16.366 43.807 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 35.917 15.302 44.844 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 64.347 54.682 39.613 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 63.537 54.229 39.377 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 64.388 55.428 39.014 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 29.219 92.960 22.169 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 29.674 92.838 23.002 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 29.630 92.330 21.576 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 49.420 76.873 -11.824 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 49.957 76.119 -12.068 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 48.519 76.581 -11.963 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 33.117 93.677 64.210 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 33.672 92.959 63.906 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 33.418 94.439 63.716 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 23.651 75.385 46.398 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 22.900 75.704 45.899 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 24.246 75.032 45.736 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 70.269 68.833 4.119 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 69.449 69.178 4.474 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 70.042 67.962 3.795 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 57.651 61.422 66.477 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 56.740 61.716 66.468 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 57.854 61.299 67.405 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 38.379 70.765 52.940 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 38.815 70.323 52.211 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 38.563 70.213 53.700 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 88.893 28.099 51.535 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 88.540 28.952 51.787 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 89.821 28.145 51.768 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 83.273 68.373 53.902 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 83.464 69.264 54.198 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 83.937 67.832 54.328 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 77.067 95.624 -6.971 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 77.479 95.706 -6.111 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 77.180 94.703 -7.205 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 82.955 58.365 52.596 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 82.897 57.450 52.321 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 82.772 58.867 51.801 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 78.748 40.630 -2.365 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 78.252 40.682 -3.182 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 78.415 41.354 -1.835 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 49.046 48.031 0.213 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 49.471 48.856 0.445 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 49.666 47.356 0.488 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 76.631 36.667 18.520 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 75.687 36.510 18.533 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 76.715 37.616 18.427 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 46.740 35.195 36.627 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 46.891 35.728 37.408 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 47.264 35.614 35.945 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 51.590 13.886 21.052 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 50.788 13.640 20.589 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 51.505 14.829 21.193 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 21.492 24.543 58.784 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 20.665 24.272 59.183 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 22.061 23.778 58.866 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 57.988 49.798 63.932 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 58.598 49.965 63.214 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 58.041 48.853 64.076 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 72.825 12.359 -17.706 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 72.245 12.084 -18.416 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 72.244 12.767 -17.065 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 69.942 74.563 59.257 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 69.445 75.125 59.851 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 69.397 74.499 58.473 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 33.874 50.230 63.146 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 33.607 51.150 63.135 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 34.391 50.139 63.946 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 87.112 66.994 1.740 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 86.346 67.510 1.491 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 86.889 66.097 1.491 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 52.329 58.299 14.299 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 52.326 57.472 14.780 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 51.923 58.926 14.898 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 58.427 91.525 -1.561 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 58.346 91.437 -2.511 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 57.568 91.271 -1.223 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 44.099 51.233 -13.604 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 43.624 52.045 -13.428 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 44.813 51.494 -14.185 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 36.925 14.774 59.408 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 37.313 14.046 58.923 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 36.014 14.800 59.113 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 70.933 93.813 -10.063 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 70.724 93.003 -9.598 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 70.875 94.495 -9.394 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 67.022 4.819 -0.117 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 66.635 5.648 0.164 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 67.807 5.073 -0.603 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 32.668 38.894 28.204 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 32.879 39.370 27.400 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 32.189 38.121 27.905 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 61.953 4.187 37.340 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 62.902 4.123 37.233 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 61.764 5.122 37.261 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 82.376 2.209 -19.350 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 81.463 2.319 -19.083 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 82.423 1.312 -19.680 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 41.037 82.226 22.444 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 41.533 81.655 23.030 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 40.271 81.709 22.196 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 72.739 3.304 44.907 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 72.103 3.990 44.707 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 72.278 2.716 45.505 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 77.943 77.073 11.652 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 78.755 77.239 12.130 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 77.347 77.762 11.945 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 36.466 71.129 50.641 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 36.493 70.815 51.545 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 36.010 70.438 50.161 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 42.390 15.326 64.811 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 42.847 16.092 65.157 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 41.813 15.676 64.133 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 87.990 14.107 -12.804 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 88.700 13.634 -12.370 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 88.095 15.014 -12.518 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 25.441 18.251 36.939 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 25.373 18.694 36.093 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 26.375 18.275 37.148 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 38.302 76.342 15.727 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 37.964 76.665 16.562 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 37.584 76.477 15.109 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 29.584 13.381 33.003 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 29.921 14.245 33.239 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 30.013 12.781 33.614 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 36.085 37.548 -0.693 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 36.687 37.295 -1.393 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 36.640 37.634 0.082 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 41.985 65.104 36.424 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 42.052 64.385 37.053 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 42.893 65.335 36.227 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 26.726 49.374 1.032 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 26.074 49.991 0.699 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 27.312 49.221 0.291 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 53.864 9.005 -10.496 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 53.434 9.370 -11.269 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 54.055 8.097 -10.734 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 74.879 80.678 5.508 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 75.429 80.590 6.287 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 74.371 81.475 5.661 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 28.066 9.782 8.910 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 27.393 9.110 9.021 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 27.718 10.360 8.232 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 40.377 50.491 60.695 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 39.641 49.881 60.662 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 41.099 49.978 61.059 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 79.779 88.894 -18.927 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 80.149 89.768 -19.054 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 79.187 88.991 -18.182 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 21.566 92.368 -14.461 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 21.617 91.640 -15.080 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 22.337 92.263 -13.903 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 87.752 88.864 51.301 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 88.249 89.665 51.134 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 87.095 89.120 51.948 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 61.838 7.959 56.638 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 62.571 7.546 56.181 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 61.569 7.314 57.292 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 35.499 90.830 16.343 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 35.861 90.730 17.223 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 36.103 91.426 15.901 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 89.607 85.231 -7.441 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 90.556 85.153 -7.538 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 89.289 85.411 -8.325 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 31.646 73.763 65.768 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 32.249 73.108 65.415 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 31.494 73.488 66.672 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 39.159 28.045 64.561 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 39.402 28.099 65.485 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 39.610 27.263 64.240 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 62.657 1.948 48.109 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 63.444 1.811 47.582 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 62.146 1.147 47.991 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 73.727 84.353 -8.524 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 73.149 84.646 -9.229 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 73.789 85.105 -7.936 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 41.235 55.520 5.856 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 40.921 54.720 6.277 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 42.064 55.713 6.294 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 23.801 90.817 26.724 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 24.143 91.161 25.899 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 22.961 90.421 26.490 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 78.176 44.303 50.873 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 79.035 43.881 50.828 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 77.573 43.657 50.504 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 43.563 89.840 41.594 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 43.335 90.748 41.395 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 43.796 89.849 42.523 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 66.467 26.652 54.535 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 66.080 27.387 55.012 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 65.835 25.940 54.638 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 73.763 42.251 -0.313 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 73.386 42.459 0.542 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 73.026 41.919 -0.826 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 27.860 81.176 24.044 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 28.614 81.766 24.026 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 27.151 81.681 23.646 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 46.920 58.548 57.337 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 46.912 59.188 56.625 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 46.288 58.886 57.971 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 63.046 87.971 54.119 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 62.488 87.196 54.061 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 63.557 87.960 53.310 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 61.500 39.563 -12.138 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 61.009 40.385 -12.166 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 61.866 39.533 -11.254 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 79.296 29.563 52.469 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 78.806 29.266 53.236 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 80.126 29.089 52.518 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 54.169 0.271 66.897 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 53.252 0.270 67.169 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 54.502 1.123 67.177 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 38.716 30.268 15.322 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 39.153 31.008 15.744 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 37.788 30.499 15.332 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 84.572 58.457 40.232 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 84.141 59.309 40.180 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 83.973 57.857 39.788 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 27.804 76.709 17.143 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 27.839 75.754 17.090 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 27.166 76.964 16.476 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 22.705 47.504 46.265 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 22.339 47.956 45.504 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 21.973 46.999 46.619 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 31.014 30.469 -9.942 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 31.803 30.765 -9.488 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 31.325 30.173 -10.797 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 22.969 82.979 33.020 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 22.869 83.902 33.254 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 22.442 82.874 32.228 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 74.263 89.287 -10.166 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 74.998 89.087 -10.745 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 73.529 89.453 -10.758 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 58.631 42.693 3.511 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 58.378 42.074 4.195 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 58.309 43.539 3.822 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 54.648 68.626 7.451 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 53.853 68.147 7.684 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 55.077 68.802 8.289 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 21.395 48.501 -10.785 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 22.134 48.302 -11.360 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 20.986 47.652 -10.617 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 55.801 28.402 -14.641 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 55.340 29.083 -15.131 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 56.276 28.877 -13.959 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 28.260 42.049 52.560 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 28.971 42.673 52.416 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 28.497 41.287 52.031 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 42.571 17.473 4.559 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 42.674 16.843 3.845 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 41.648 17.410 4.803 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 20.373 56.380 61.989 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 21.261 56.668 62.199 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 19.922 56.355 62.833 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 83.620 39.932 26.311 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 83.586 39.343 27.065 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 82.804 40.430 26.358 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 52.530 4.615 22.103 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 52.424 4.136 22.925 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 51.991 5.398 22.210 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 85.424 59.184 48.414 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 86.053 59.778 48.824 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 85.965 58.565 47.924 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 45.536 43.659 34.849 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 45.669 43.763 33.907 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 44.685 44.062 35.017 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 78.170 19.240 -12.091 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 78.676 19.179 -11.280 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 77.794 18.367 -12.205 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 31.670 40.751 -18.136 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 32.589 41.014 -18.193 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 31.190 41.573 -18.039 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 20.898 74.248 14.962 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 21.478 75.009 14.916 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 20.148 74.485 14.416 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 46.617 15.934 -0.953 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 46.352 15.214 -0.380 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 47.014 16.575 -0.364 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 28.459 53.376 17.987 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 29.289 53.664 17.608 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 28.685 52.601 18.501 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 38.663 84.896 -15.315 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 38.512 84.607 -14.415 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 39.050 85.767 -15.226 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 53.580 96.649 35.993 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 52.712 96.856 35.647 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 53.874 95.901 35.473 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 80.061 32.513 58.284 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 79.866 32.955 57.457 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 80.928 32.129 58.151 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 80.600 30.684 42.502 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 79.865 30.154 42.192 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 81.300 30.514 41.872 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 46.554 65.009 4.964 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 46.486 65.721 5.600 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 47.491 64.935 4.786 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 29.323 1.108 42.783 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 29.325 1.813 42.135 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 28.540 1.268 43.310 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 35.423 9.760 23.025 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 35.408 10.245 22.200 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 36.270 9.977 23.416 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 38.540 19.367 10.142 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 39.485 19.323 10.283 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 38.169 18.817 10.833 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 64.217 28.888 7.486 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 63.829 28.102 7.870 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 63.631 29.117 6.764 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 72.248 46.979 -11.761 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 72.298 46.172 -11.248 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 72.745 47.619 -11.251 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 37.108 24.083 -3.468 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 37.843 23.753 -2.951 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 36.367 24.076 -2.863 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 63.872 73.197 59.556 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 64.804 73.414 59.576 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 63.707 72.930 58.652 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 23.099 47.000 3.320 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 22.232 47.147 3.698 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 23.698 47.050 4.065 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 56.338 66.980 23.672 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 55.598 66.496 24.039 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 56.614 66.460 22.917 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 52.522 26.363 -4.461 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 51.898 25.779 -4.030 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 52.443 26.156 -5.392 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 74.149 23.482 39.392 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 74.514 22.603 39.494 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 74.261 23.682 38.463 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 42.649 53.591 -13.403 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 42.366 53.720 -12.498 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 42.194 54.274 -13.896 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 36.714 28.852 24.756 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 36.784 29.802 24.844 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 36.424 28.715 23.854 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 28.049 36.389 49.817 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 28.260 37.126 49.243 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 28.848 35.862 49.834 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 34.049 41.959 -18.020 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 33.960 42.622 -17.335 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 34.994 41.839 -18.115 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 44.305 28.403 -3.886 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 45.059 28.920 -4.172 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 44.196 28.628 -2.962 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 72.588 72.199 -5.853 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 73.388 72.013 -5.361 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 72.009 71.462 -5.657 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 39.364 16.429 -5.209 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 38.570 15.898 -5.149 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 39.048 17.332 -5.223 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 57.087 44.452 63.732 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 57.287 44.114 64.605 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 57.785 44.108 63.175 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 49.397 58.916 -7.009 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 50.068 58.234 -7.033 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 49.762 59.592 -6.438 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 68.143 46.785 63.790 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 68.232 47.735 63.871 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 68.644 46.434 64.526 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 40.441 19.183 55.373 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 40.417 19.448 54.453 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 41.368 19.219 55.608 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 45.247 7.618 -9.379 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 45.529 7.771 -8.477 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 44.839 6.752 -9.359 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 47.290 49.779 44.145 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 47.848 50.120 44.844 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 47.437 50.373 43.409 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 63.882 60.449 56.240 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 64.658 59.906 56.378 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 63.904 60.670 55.309 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 66.955 35.258 2.514 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 67.423 35.581 3.285 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 66.058 35.122 2.819 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 39.195 19.309 43.147 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 39.517 19.974 43.757 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 38.260 19.243 43.337 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 35.002 65.175 -1.791 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 34.429 64.519 -2.188 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 35.518 65.517 -2.521 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 80.253 77.695 56.217 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 80.049 77.188 55.431 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 79.631 77.381 56.874 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 36.452 26.022 52.537 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 37.005 26.419 51.864 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 35.558 26.145 52.216 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 27.528 42.107 66.747 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 27.121 42.825 67.233 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 27.215 41.315 67.183 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 23.631 21.909 -11.451 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 23.798 22.124 -10.533 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 22.708 21.656 -11.474 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 36.223 32.459 23.633 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 36.883 33.117 23.849 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 35.939 32.116 24.480 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 83.980 7.113 45.179 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 84.090 7.008 46.124 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 84.477 6.390 44.797 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 35.553 94.184 40.260 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 34.654 93.858 40.217 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 35.746 94.473 39.368 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 70.684 15.596 2.181 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 70.183 15.180 1.479 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 70.701 14.946 2.883 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 26.281 23.293 13.614 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 26.526 23.324 12.689 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 26.259 22.360 13.825 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 59.594 3.489 61.133 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 59.574 2.835 61.832 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 60.061 3.060 60.416 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 30.803 37.048 32.518 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 30.136 37.233 31.857 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 31.492 37.691 32.350 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 64.371 4.625 -6.627 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 64.613 5.505 -6.338 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 63.414 4.619 -6.603 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 44.426 13.935 -5.792 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 43.487 13.957 -5.974 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 44.829 14.348 -6.556 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 32.999 88.912 61.581 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 32.605 88.750 60.723 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 33.783 89.428 61.391 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 53.918 31.540 51.389 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 54.150 32.196 50.732 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 54.166 30.705 50.993 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 88.291 26.797 38.596 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 87.680 26.886 39.328 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 88.147 27.582 38.067 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 29.371 69.964 65.024 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 29.437 69.754 64.092 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 28.628 70.564 65.083 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 33.978 49.019 57.003 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 33.398 49.563 57.536 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 33.737 48.120 57.226 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 72.470 48.148 8.014 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 71.707 47.603 7.824 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 72.752 48.472 7.158 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 23.566 47.435 35.178 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 22.978 47.614 35.912 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 23.585 48.253 34.681 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 62.329 80.021 -11.445 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 62.514 79.082 -11.437 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 62.773 80.359 -10.667 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 21.920 54.087 9.401 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 21.380 53.339 9.148 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 22.812 53.740 9.434 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 42.321 39.714 28.344 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 42.826 39.942 27.564 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 42.220 38.764 28.295 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 23.844 15.619 -8.416 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 23.897 15.854 -9.342 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 24.663 15.941 -8.039 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 26.394 14.201 35.317 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 25.956 14.928 34.875 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 26.115 14.270 36.229 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 56.103 22.942 7.898 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 56.669 23.505 8.426 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 55.251 22.982 8.333 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 68.739 20.207 61.562 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 68.765 19.315 61.216 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 67.822 20.344 61.803 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 76.145 54.503 22.365 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 75.813 53.954 23.075 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 75.381 54.993 22.063 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 22.890 86.238 -10.205 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 22.381 85.452 -10.405 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 22.473 86.930 -10.718 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 69.789 9.007 -17.616 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 69.564 9.797 -18.107 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 69.373 9.128 -16.762 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 64.372 87.479 51.479 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 65.135 87.130 51.017 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 63.748 86.754 51.496 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 70.654 62.682 -11.342 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 70.260 62.073 -11.967 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 69.983 63.350 -11.201 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 68.213 37.889 23.609 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 67.817 38.421 22.919 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 68.460 37.074 23.172 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 65.290 51.492 32.873 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 65.288 52.072 33.635 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 64.555 51.794 32.339 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 36.826 80.470 1.034 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 37.496 80.196 1.660 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 36.672 79.696 0.493 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 46.030 53.452 37.791 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 45.448 53.628 38.531 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 46.555 52.703 38.073 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 59.551 30.619 32.805 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 58.727 30.456 32.345 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 59.645 31.571 32.799 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 58.687 80.267 18.415 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 59.090 79.635 17.820 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 57.767 80.293 18.151 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 50.418 74.405 65.531 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 50.852 74.891 66.233 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 49.579 74.850 65.415 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 57.904 85.475 -15.256 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 57.996 84.979 -16.070 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 58.415 84.980 -14.615 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 26.502 17.232 65.133 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 26.715 17.960 64.550 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 26.626 17.586 66.014 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 66.038 37.173 -17.047 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 65.303 36.791 -16.567 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 65.630 37.765 -17.679 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 60.703 57.245 61.156 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 59.953 57.220 60.561 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 61.171 58.046 60.919 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 64.545 62.568 47.972 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 63.824 62.179 48.468 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 64.734 61.930 47.284 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 74.781 24.714 49.049 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 74.655 24.819 48.106 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 73.934 24.403 49.370 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 74.096 68.774 -18.066 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 73.815 68.400 -17.231 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 75.039 68.903 -17.967 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 35.949 96.362 -7.266 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 36.771 95.952 -6.996 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 35.353 96.209 -6.533 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 22.243 62.444 58.352 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 22.877 63.151 58.233 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 21.457 62.879 58.683 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 63.926 20.071 12.590 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 64.108 20.694 11.886 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 64.643 19.439 12.541 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 83.120 32.704 31.639 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 82.276 33.098 31.861 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 83.142 32.707 30.682 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 32.289 29.518 45.795 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 32.432 30.439 46.014 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 32.759 29.392 44.970 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 77.259 86.090 40.793 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 76.524 85.956 40.194 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 77.308 85.278 41.297 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 73.794 93.387 61.323 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 73.203 94.087 61.045 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 74.609 93.836 61.545 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 51.808 93.054 -15.460 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 52.160 92.840 -14.596 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 51.803 92.220 -15.931 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 59.361 63.058 64.903 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 58.796 62.596 65.522 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 59.493 62.436 64.187 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 42.624 33.345 40.523 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 42.979 34.036 39.964 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 41.732 33.212 40.202 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 31.671 93.979 18.799 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 32.144 94.770 19.059 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 32.352 93.314 18.700 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 69.010 14.043 64.022 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 69.814 13.929 64.528 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 68.664 13.157 63.917 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 48.199 13.195 -7.063 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 49.154 13.152 -7.097 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 47.997 13.337 -6.138 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 46.359 49.175 32.885 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 45.920 48.827 32.109 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 46.358 48.448 33.508 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 83.169 39.005 -5.011 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 82.420 38.997 -4.414 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 83.796 38.398 -4.617 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 63.911 69.876 60.580 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 64.629 70.101 59.988 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 63.253 69.471 60.015 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 49.823 51.578 64.122 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 50.133 51.913 64.964 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 50.151 52.207 63.479 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 28.482 70.842 42.401 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 28.370 71.508 43.079 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 28.981 71.282 41.713 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 27.514 30.959 44.660 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 28.242 30.338 44.663 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 27.928 31.815 44.770 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 41.515 35.887 -1.166 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 42.226 36.522 -1.075 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 41.191 35.760 -0.274 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 35.678 76.559 -2.775 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 36.399 77.155 -2.572 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 35.960 75.714 -2.424 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 37.864 19.596 39.853 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 38.268 19.646 40.720 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 38.532 19.936 39.257 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 67.112 45.772 48.291 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 66.655 45.206 48.913 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 67.754 45.198 47.871 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 29.675 91.133 33.814 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 28.824 90.707 33.714 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 30.312 90.440 33.643 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 25.204 75.740 43.976 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 24.674 76.361 43.476 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 25.802 76.288 44.484 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 89.726 45.797 45.254 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 88.939 45.628 45.773 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 90.314 45.073 45.469 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 84.852 92.280 42.062 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 85.013 91.337 42.048 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 85.678 92.661 42.358 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 78.600 44.327 54.829 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 78.075 44.986 54.374 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 78.889 43.731 54.138 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 64.701 37.239 51.433 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 64.909 37.403 52.353 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 63.979 36.611 51.459 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 87.392 31.532 11.213 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 87.979 31.818 11.913 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 86.643 31.149 11.669 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 21.429 78.911 51.063 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 21.803 78.524 51.855 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 20.911 78.207 50.673 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 55.290 61.953 -3.356 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 54.625 61.562 -2.789 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 55.678 62.649 -2.826 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 32.208 14.863 27.902 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 32.206 15.815 27.804 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 32.532 14.713 28.791 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 45.943 37.253 27.181 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 45.421 37.317 26.382 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 45.323 36.960 27.850 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 41.699 86.883 0.140 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 42.220 87.609 0.483 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 41.153 86.611 0.878 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 65.602 13.877 31.857 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 65.724 13.315 31.092 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 65.277 14.703 31.499 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 72.066 92.937 -15.864 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 72.903 92.472 -15.839 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 71.428 92.301 -15.541 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 88.687 35.778 36.397 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 88.874 35.158 37.101 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 89.262 35.509 35.680 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 39.947 50.746 -3.534 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 39.936 49.958 -2.991 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 40.751 51.200 -3.281 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 66.867 66.183 -11.022 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 67.259 65.327 -10.854 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 65.925 66.014 -11.056 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 28.781 43.615 36.806 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 29.016 42.693 36.911 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 27.882 43.597 36.476 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 22.898 85.564 33.832 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 22.729 85.598 34.773 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 23.802 85.863 33.740 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 65.077 40.652 25.851 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 64.280 41.097 26.138 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 65.216 40.962 24.956 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 24.791 15.475 -3.494 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 25.206 15.139 -2.699 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 24.555 16.378 -3.277 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 83.384 46.108 36.401 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 82.716 45.637 35.902 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 83.956 45.421 36.743 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 35.274 71.180 28.358 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 36.112 71.439 28.743 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 35.511 70.582 27.649 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 48.255 78.637 51.008 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 48.959 78.910 51.596 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 48.506 77.758 50.725 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 45.228 14.722 44.833 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 44.392 15.086 45.123 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 45.770 15.489 44.643 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 22.313 32.365 -14.775 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 22.118 31.844 -15.554 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 22.479 31.718 -14.090 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 57.574 38.386 -18.798 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 56.721 38.046 -18.529 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 57.499 39.334 -18.691 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 20.790 24.504 36.353 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 20.137 25.045 35.909 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 21.631 24.871 36.082 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 47.466 48.338 63.465 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 47.666 47.424 63.667 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 47.340 48.353 62.517 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 69.206 51.902 16.315 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 68.631 51.145 16.432 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 68.615 52.619 16.083 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 38.694 51.002 38.226 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 39.182 51.228 39.017 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 38.419 51.845 37.864 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 27.628 89.951 53.805 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 27.741 89.132 53.323 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 28.212 89.868 54.559 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 47.556 39.823 33.673 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 47.824 39.089 33.121 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 46.970 40.338 33.119 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 50.529 56.713 8.582 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 50.688 57.639 8.769 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 51.387 56.368 8.334 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 47.956 26.349 46.206 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 48.211 27.271 46.181 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 48.148 26.024 45.326 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 59.027 83.297 60.311 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 58.809 82.559 60.881 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 58.725 83.027 59.443 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 36.763 52.100 26.884 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 36.550 51.579 27.658 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 36.940 52.976 27.227 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 24.848 43.582 20.287 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 24.078 43.088 20.009 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 24.698 44.467 19.954 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 72.613 44.839 39.016 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 72.044 44.357 38.415 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 72.265 45.730 39.013 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 61.525 30.716 -10.342 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 60.676 30.460 -10.704 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 61.790 29.971 -9.803 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 76.464 38.217 -2.463 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 76.557 38.292 -3.413 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 76.595 39.107 -2.138 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 39.077 40.149 -14.552 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 39.515 40.756 -15.149 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 38.729 39.462 -15.121 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 59.662 94.889 10.650 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 60.101 94.313 10.024 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 58.820 95.090 10.242 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 79.049 80.832 49.171 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 79.420 80.773 48.291 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 78.698 79.958 49.343 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 64.461 39.121 41.478 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 64.116 38.515 40.822 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 63.822 39.833 41.507 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 66.389 46.836 60.210 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 66.883 47.261 59.508 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 65.483 46.841 59.903 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 55.863 9.404 48.324 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 55.790 10.133 48.940 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 56.801 9.330 48.149 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 78.817 45.178 6.121 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 79.665 45.463 6.461 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 78.246 45.157 6.888 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 63.594 10.297 -3.734 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 62.978 10.991 -3.499 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 64.248 10.732 -4.281 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 88.133 90.791 5.021 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 88.079 90.067 5.645 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 88.887 91.303 5.311 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 21.445 22.174 1.618 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 22.283 22.528 1.914 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 21.338 22.518 0.731 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 54.375 64.079 20.494 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 55.000 64.083 19.769 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 53.840 63.299 20.345 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 54.210 10.162 -17.596 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 53.268 10.194 -17.765 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 54.478 9.293 -17.896 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 67.787 41.765 50.373 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 67.709 41.727 49.419 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 67.030 41.275 50.695 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 86.404 43.396 -15.651 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 86.014 43.494 -14.782 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 87.271 43.024 -15.485 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 24.293 92.848 -18.541 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 25.156 92.692 -18.925 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 23.963 91.974 -18.332 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 59.402 46.755 39.949 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 60.287 46.900 40.285 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 58.902 47.512 40.255 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 21.485 68.193 -7.846 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 22.084 68.155 -7.100 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 21.607 67.356 -8.294 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 71.435 53.484 -8.176 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 70.708 52.888 -8.353 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 71.054 54.175 -7.635 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 25.722 43.491 -11.735 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 24.933 43.980 -11.970 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 25.981 43.847 -10.886 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 68.784 54.497 12.532 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 68.014 55.060 12.453 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 68.577 53.907 13.257 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 39.058 55.456 64.677 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 38.639 56.291 64.884 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 38.842 54.888 65.416 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 40.999 52.710 33.648 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 40.494 53.459 33.333 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 41.660 52.564 32.972 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 24.840 58.700 3.233 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 24.714 57.922 2.689 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 25.776 58.889 3.169 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 58.584 75.225 55.963 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 58.284 76.086 55.670 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 57.900 74.924 56.561 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 45.061 13.832 4.538 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 44.823 14.384 3.793 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 44.963 14.402 5.301 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 51.753 56.167 47.803 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 51.948 56.158 48.740 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 52.128 55.351 47.472 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 29.598 27.631 49.880 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 29.374 26.708 49.758 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 30.458 27.725 49.471 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 86.546 83.285 44.993 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 86.254 83.162 44.089 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 87.430 83.642 44.912 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 33.772 4.539 53.483 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 34.302 4.864 54.210 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 33.924 5.165 52.776 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 48.380 65.398 -13.810 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 47.551 65.510 -14.274 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 48.136 65.371 -12.885 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 22.525 82.939 58.400 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 22.515 82.198 59.005 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 21.601 83.145 58.257 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 62.925 25.954 45.693 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 63.125 25.885 44.759 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 61.969 25.945 45.735 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 47.156 47.551 46.249 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 47.311 47.719 45.319 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 47.638 48.243 46.701 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 53.088 67.498 48.639 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 53.523 67.311 47.807 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 52.859 66.637 48.989 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 40.770 70.220 -11.445 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 40.513 69.302 -11.539 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 40.702 70.393 -10.506 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 32.330 91.539 58.507 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 32.608 92.343 58.945 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 31.683 91.155 59.098 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 80.568 40.437 6.832 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 79.720 40.724 7.171 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 81.121 41.217 6.877 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 75.017 63.783 58.246 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 75.641 63.450 57.601 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 74.890 64.701 58.007 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 49.799 19.702 31.097 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 49.253 20.426 30.791 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 50.687 19.944 30.835 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 25.909 8.928 -5.729 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 25.855 8.503 -4.874 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 26.276 8.259 -6.307 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 24.551 89.643 11.533 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 24.217 89.310 12.366 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 23.773 89.955 11.070 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 41.038 19.567 52.841 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 41.909 19.922 53.019 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 40.558 20.294 52.446 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 74.536 56.262 50.718 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 75.354 56.759 50.693 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 74.653 55.575 50.062 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 89.741 9.984 34.311 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 89.155 10.122 35.055 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 90.317 10.748 34.314 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 35.454 31.792 34.957 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 35.097 32.173 35.759 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 36.169 32.378 34.710 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 49.541 3.346 56.543 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 49.993 2.613 56.960 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 49.258 3.899 57.272 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 54.566 94.662 34.336 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 55.515 94.704 34.221 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 54.413 93.822 34.769 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 24.240 81.883 -11.472 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 25.139 81.950 -11.795 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 24.158 80.976 -11.176 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 65.962 2.891 49.382 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 65.566 2.526 48.590 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 65.534 2.427 50.101 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 34.954 33.752 -8.073 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 35.800 34.199 -8.102 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 34.473 34.195 -7.374 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 82.182 2.376 64.353 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 82.657 1.736 64.882 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 82.243 3.191 64.851 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 33.356 19.964 -15.017 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 32.675 19.385 -14.674 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 32.875 20.659 -15.466 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 45.262 91.546 -13.324 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 44.624 92.235 -13.512 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 44.921 91.110 -12.542 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 80.100 93.250 -9.021 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 80.080 93.626 -9.900 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 79.206 92.945 -8.869 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 71.094 78.775 -11.241 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 71.937 78.326 -11.176 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 70.596 78.462 -10.486 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 88.384 40.015 50.307 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 87.537 40.451 50.398 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 88.950 40.457 50.940 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 87.237 45.142 59.591 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 86.719 45.049 60.391 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 87.185 44.284 59.171 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 40.957 86.018 -2.390 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 41.533 86.296 -1.678 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 41.425 85.296 -2.809 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 74.679 29.919 13.948 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 75.452 30.313 14.353 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 74.277 30.634 13.454 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 68.167 44.426 39.693 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 67.237 44.202 39.710 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 68.445 44.363 40.607 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 41.290 79.291 41.962 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 41.375 79.773 41.139 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 42.038 78.693 41.967 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 35.656 22.165 -9.562 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 36.236 22.737 -10.065 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 34.800 22.263 -9.980 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 23.641 77.635 18.813 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 22.758 77.321 18.619 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 24.087 76.877 19.190 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 23.232 10.565 -19.503 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 24.054 10.344 -19.064 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 23.455 11.300 -20.074 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 59.703 46.769 44.553 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 59.162 47.327 43.994 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 60.603 47.014 44.337 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 71.826 56.702 37.617 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 71.285 57.317 37.122 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 71.381 55.860 37.522 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 43.369 26.604 50.676 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 42.973 25.918 50.138 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 44.296 26.370 50.721 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 25.030 79.062 9.541 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 25.813 78.634 9.195 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 25.153 79.056 10.490 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 74.561 55.146 -12.796 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 74.581 54.428 -12.164 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 74.410 55.929 -12.266 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 48.068 2.911 0.475 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 47.867 3.711 -0.011 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 47.586 2.223 0.015 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 90.318 40.551 62.043 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 89.871 39.936 62.624 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 89.947 40.378 61.178 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 28.588 46.534 -1.517 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 29.363 46.833 -1.993 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 28.166 45.914 -2.112 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 39.717 93.328 -11.231 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 39.902 93.423 -12.165 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 40.520 93.616 -10.797 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 58.041 29.654 -13.813 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 58.031 30.344 -13.150 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 57.918 30.116 -14.642 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 54.503 14.704 31.077 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 53.850 14.253 31.613 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 54.619 14.137 30.314 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 37.364 81.577 54.866 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 38.174 81.991 55.163 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 37.512 81.396 53.938 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 51.299 91.563 57.363 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 51.902 92.186 56.956 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 51.030 90.987 56.648 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 36.950 53.078 62.082 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 36.327 53.418 62.724 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 36.410 52.823 61.334 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 87.413 48.513 43.314 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 86.571 48.101 43.505 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 87.250 49.043 42.533 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 58.515 55.909 52.950 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 57.936 56.047 52.201 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 58.012 56.220 53.703 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 40.009 20.208 37.955 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 39.997 20.908 37.303 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 40.078 19.403 37.442 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 51.179 31.951 -19.520 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 51.420 31.683 -18.634 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 50.559 32.670 -19.393 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 80.539 26.406 -12.892 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 81.221 26.081 -13.480 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 80.505 27.348 -13.060 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 48.212 87.674 -12.899 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 48.583 88.322 -12.301 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 48.326 88.058 -13.769 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 45.801 63.073 6.990 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 46.648 62.779 7.325 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 46.017 63.605 6.224 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 74.145 27.832 47.908 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 74.467 28.644 47.517 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 73.192 27.901 47.853 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 51.023 23.196 34.732 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 50.080 23.341 34.651 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 51.271 22.771 33.911 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 42.261 87.788 -4.567 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 41.855 88.002 -3.728 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 42.566 86.886 -4.462 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 62.856 9.951 58.315 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 63.048 9.222 58.906 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 62.445 9.541 57.554 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 41.667 58.252 -17.924 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 42.493 57.806 -17.737 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 41.929 59.118 -18.239 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 49.667 41.508 -17.197 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 49.011 41.161 -17.801 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 50.487 41.097 -17.473 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 35.303 67.281 19.526 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 36.090 66.967 19.973 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 34.988 66.522 19.035 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 69.755 20.976 -11.309 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 70.707 21.042 -11.234 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 69.448 21.882 -11.270 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 73.282 38.942 31.711 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 72.821 39.702 32.065 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 74.209 39.176 31.768 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 22.776 26.691 11.740 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 22.682 26.580 12.687 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 22.986 27.618 11.628 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 66.068 14.732 37.534 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 66.711 15.063 38.161 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 65.878 15.480 36.968 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 54.015 18.145 44.346 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 54.854 18.386 43.953 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 53.803 17.296 43.958 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 29.304 43.211 48.703 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 28.402 43.404 48.447 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 29.272 43.129 49.656 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 68.231 7.704 -9.049 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 68.162 8.138 -8.199 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 68.800 8.275 -9.565 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 81.156 9.143 52.882 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 80.611 9.840 53.248 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 80.566 8.393 52.807 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 70.927 34.795 61.294 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 70.042 34.567 61.008 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 71.350 35.143 60.509 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 28.139 8.668 39.790 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 27.886 9.312 39.127 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 27.322 8.223 40.016 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 84.486 34.295 36.767 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 85.123 34.855 36.325 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 84.289 33.607 36.131 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 31.642 26.031 -6.987 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 31.996 26.790 -6.524 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 32.341 25.768 -7.587 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 71.729 40.724 27.783 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 72.045 39.858 27.527 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 70.794 40.710 27.576 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 44.547 24.434 33.307 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 44.631 23.884 32.528 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 44.821 25.304 33.016 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 27.561 57.257 64.478 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 28.208 57.880 64.148 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 26.975 57.784 65.020 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 85.417 41.730 -0.569 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 84.687 42.189 -0.153 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 85.951 42.426 -0.952 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 43.927 73.014 61.586 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 43.958 72.079 61.381 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 44.362 73.437 60.846 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 33.591 8.600 39.312 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 32.767 8.644 39.797 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 33.495 7.835 38.745 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 83.633 27.651 29.519 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 84.376 28.213 29.300 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 83.993 26.764 29.511 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 90.057 26.721 17.455 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 90.662 26.007 17.255 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 89.206 26.408 17.147 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 53.000 42.547 55.000 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 52.532 43.343 55.250 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 53.875 42.849 54.757 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 22.608 65.097 37.290 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 23.213 65.774 36.988 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 21.743 65.415 37.031 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 23.172 83.403 8.087 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 23.987 83.301 7.595 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 22.866 84.282 7.865 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 59.016 46.755 -19.163 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 59.798 47.307 -19.161 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 58.404 47.208 -19.742 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 42.330 69.144 57.607 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 42.738 69.585 58.352 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 42.988 69.186 56.913 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 28.934 13.056 42.959 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 28.475 13.869 42.749 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 29.358 13.231 43.799 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 34.212 39.454 61.335 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 34.201 38.614 61.795 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 34.900 39.957 61.771 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 21.003 11.334 -17.007 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 21.405 10.594 -17.464 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 20.070 11.262 -17.208 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 56.860 14.486 27.447 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 56.507 14.662 26.574 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 56.121 14.125 27.936 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 45.676 14.439 32.375 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 46.281 13.699 32.438 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 46.239 15.194 32.204 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 41.860 47.015 59.069 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 41.980 46.426 59.814 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 41.276 46.539 58.479 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 50.856 3.331 26.729 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 50.513 3.366 25.836 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 51.656 3.856 26.699 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 41.856 42.814 6.119 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 42.081 43.607 6.605 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 41.243 43.110 5.447 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 81.542 12.825 59.648 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 81.536 13.782 59.664 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 82.360 12.583 60.083 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 87.202 35.383 13.251 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 86.760 36.225 13.352 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 86.666 34.768 13.752 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 21.817 32.488 58.224 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 22.203 32.127 57.426 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 21.007 31.993 58.344 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 40.016 47.730 -2.207 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 39.730 46.885 -1.860 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 40.962 47.636 -2.317 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 23.176 55.342 24.570 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 24.009 55.635 24.201 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 22.568 56.059 24.391 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 50.188 67.571 -14.944 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 49.463 67.156 -14.477 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 50.911 67.568 -14.317 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 25.527 20.063 5.648 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 25.433 20.441 4.774 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 26.225 20.576 6.057 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 51.300 45.785 40.850 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 50.345 45.842 40.838 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 51.494 44.928 40.470 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 64.119 56.949 64.858 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 63.189 56.837 64.663 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 64.135 57.474 65.658 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 71.570 27.552 67.019 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 71.629 27.528 66.064 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 70.659 27.783 67.198 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 34.755 7.220 46.522 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 35.711 7.260 46.499 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 34.535 6.444 46.007 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 72.257 52.437 6.238 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 71.546 53.024 6.494 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 72.912 52.538 6.929 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 47.256 94.481 48.480 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 46.894 95.041 47.794 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 48.159 94.780 48.583 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 55.480 90.496 -0.688 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 55.025 91.336 -0.748 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 55.331 90.082 -1.538 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 39.620 22.797 -14.052 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 38.775 22.519 -13.699 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 39.500 23.724 -14.261 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 78.179 31.500 32.750 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 79.070 31.840 32.834 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 77.619 32.270 32.841 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 33.044 12.092 0.672 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 32.913 11.948 1.610 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 33.783 12.698 0.623 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 52.652 35.018 52.690 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 51.895 34.603 52.277 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 52.349 35.898 52.916 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 72.969 37.859 -0.897 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 72.466 37.990 -1.701 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 73.239 36.941 -0.930 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 57.442 71.778 53.389 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 57.345 70.829 53.478 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 56.553 72.096 53.234 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 62.543 46.592 2.568 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 62.104 47.386 2.876 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 62.287 45.917 3.197 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 25.584 29.209 -12.728 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 25.867 28.591 -13.402 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 26.014 30.032 -12.961 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 51.655 10.674 49.249 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 51.579 9.981 49.905 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 50.823 11.145 49.300 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 30.563 52.265 -9.289 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 30.561 52.397 -8.341 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 30.526 53.149 -9.655 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 88.063 41.438 -3.426 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 88.715 41.718 -2.784 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 88.536 41.426 -4.258 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 44.908 41.410 53.260 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 45.296 41.901 52.535 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 44.695 42.076 53.913 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 86.831 63.434 -3.139 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 87.586 62.848 -3.086 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 86.728 63.608 -4.075 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 45.472 49.666 52.829 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 45.350 49.073 52.087 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 45.457 50.541 52.443 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 86.384 47.486 48.509 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 85.546 47.948 48.505 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 86.568 47.331 49.436 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 48.947 56.609 49.416 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 49.390 56.816 48.593 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 48.437 57.394 49.618 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 72.072 26.283 -6.011 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 72.725 26.598 -5.386 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 71.791 27.068 -6.481 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 77.617 54.588 -3.557 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 76.708 54.744 -3.810 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 77.806 55.265 -2.907 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 49.572 16.012 -8.245 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 48.759 15.887 -8.735 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 49.318 15.911 -7.328 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 79.464 72.274 37.825 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 80.224 71.814 37.468 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 79.302 72.986 37.206 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 67.241 17.663 53.369 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 68.124 17.382 53.608 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 67.371 18.271 52.641 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 61.387 56.848 64.398 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 61.447 56.640 63.466 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 60.448 56.934 64.565 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 43.536 7.092 21.047 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 43.493 7.111 22.003 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 43.240 6.213 20.811 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 20.155 87.343 18.689 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 20.511 88.213 18.510 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 20.926 86.794 18.835 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 80.684 65.811 -11.929 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 80.201 65.828 -11.103 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 81.571 65.548 -11.683 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 54.944 71.562 65.442 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 54.801 70.935 66.150 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 54.128 72.060 65.394 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 46.535 92.179 -2.282 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 47.427 92.025 -1.972 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 46.195 91.306 -2.478 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 61.125 6.119 6.893 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 60.821 6.924 7.312 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 61.569 6.414 6.098 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 29.059 80.622 54.264 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 29.654 80.156 54.851 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 28.186 80.332 54.527 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 42.114 17.185 28.085 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 41.535 17.323 27.335 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 42.686 16.466 27.817 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 40.615 40.471 25.742 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 40.426 41.356 25.432 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 41.566 40.451 25.848 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 90.361 21.679 44.430 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 90.243 20.754 44.211 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 89.985 21.768 45.305 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 81.196 84.466 54.516 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 81.864 83.825 54.273 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 80.472 84.298 53.913 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 68.187 34.056 18.959 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 67.623 34.829 18.921 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 67.706 33.384 18.476 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 65.356 3.374 44.564 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 64.682 2.969 44.019 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 66.183 3.095 44.170 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 46.626 73.265 -0.101 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 47.432 73.287 0.415 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 46.560 72.359 -0.402 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 85.975 23.606 -12.252 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 86.472 23.680 -11.437 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 85.417 24.383 -12.263 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 66.405 85.139 52.062 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 67.231 84.692 51.879 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 65.767 84.709 51.492 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 88.306 77.241 -8.193 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 87.450 77.332 -8.611 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 88.855 76.824 -8.857 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 46.831 5.507 19.920 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 46.395 6.124 20.508 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 47.446 6.045 19.421 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 25.241 65.055 -4.642 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 26.136 65.389 -4.692 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 25.282 64.196 -5.062 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 37.015 10.581 4.466 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 37.279 11.353 3.965 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 36.286 10.210 3.970 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 85.000 51.273 46.004 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 85.927 51.120 46.189 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 84.576 51.241 46.861 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 52.300 10.244 13.942 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 52.525 11.081 14.348 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 51.919 9.728 14.653 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 31.523 92.842 -12.541 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 30.908 92.284 -12.066 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 32.237 92.255 -12.789 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 29.760 6.775 66.675 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 30.110 5.978 66.277 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 28.822 6.745 66.488 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 29.007 59.649 63.223 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 28.581 60.365 63.693 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 29.943 59.792 63.363 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 23.540 36.545 55.943 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 24.427 36.661 55.602 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 22.996 36.430 55.164 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 55.336 68.203 65.528 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 54.760 68.652 66.147 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 54.928 67.347 65.399 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 47.234 78.039 32.556 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 47.801 77.704 33.250 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 47.314 77.398 31.850 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 84.161 94.685 -18.091 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 84.581 94.652 -18.951 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 84.324 95.574 -17.778 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 48.125 16.073 51.809 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 48.121 15.230 51.355 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 47.676 16.670 51.210 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 45.959 69.423 34.320 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 46.283 68.546 34.113 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 46.443 69.678 35.105 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 63.741 22.432 27.439 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 64.064 23.309 27.231 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 62.793 22.492 27.326 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 64.440 56.388 56.994 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 65.118 57.051 57.126 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 63.616 56.872 57.061 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 67.535 46.929 26.638 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 67.739 47.333 25.795 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 66.637 47.203 26.825 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 71.118 91.343 5.258 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 70.816 90.468 5.501 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 72.000 91.403 5.626 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 31.112 14.975 -18.880 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 30.181 14.784 -18.764 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 31.139 15.901 -19.122 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 31.316 27.462 42.674 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 31.255 26.793 41.993 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 32.256 27.582 42.810 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 75.067 27.748 50.692 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 74.701 27.710 49.809 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 75.967 28.049 50.567 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 62.991 84.228 2.669 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 63.025 83.477 2.077 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 63.848 84.645 2.577 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 29.114 4.275 38.725 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 28.281 4.374 38.264 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 29.490 3.469 38.371 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 39.287 30.971 41.378 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 39.128 31.719 40.802 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 39.535 30.261 40.787 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 46.890 43.678 63.453 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 47.586 43.703 64.110 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 47.317 43.344 62.664 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 44.557 92.117 62.350 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 44.767 91.184 62.385 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 43.606 92.145 62.239 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 88.751 70.354 53.666 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 89.410 70.282 54.356 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 89.203 70.794 52.946 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 26.360 18.718 48.754 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 25.503 18.328 48.580 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 26.603 19.140 47.930 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 62.313 38.536 47.783 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 62.071 37.610 47.813 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 63.178 38.571 48.190 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 85.298 30.843 30.721 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 84.344 30.777 30.677 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 85.468 31.776 30.854 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 40.825 10.770 35.580 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 40.296 10.560 34.811 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 40.715 11.714 35.696 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 74.569 79.891 48.883 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 75.221 79.250 48.599 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 74.772 80.047 49.805 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 36.519 86.489 65.469 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 35.912 86.371 64.738 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 36.784 87.407 65.414 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 47.318 10.776 7.451 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 46.757 10.102 7.836 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 47.279 11.504 8.070 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 85.543 11.560 66.988 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 85.493 11.133 67.843 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 85.585 10.838 66.361 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 33.689 71.789 65.325 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 34.144 71.757 64.483 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 34.037 71.042 65.813 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 36.557 11.006 10.843 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 36.479 10.389 11.571 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 36.985 10.505 10.149 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 41.642 21.288 12.899 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 41.360 20.677 12.218 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 42.487 20.948 13.192 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 87.698 87.784 -8.332 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 86.772 87.899 -8.546 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 87.802 88.209 -7.481 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 24.869 22.675 67.022 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 25.131 23.424 66.486 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 25.693 22.248 67.257 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 76.465 37.600 24.375 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 75.851 38.267 24.067 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 75.912 36.855 24.610 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 60.811 36.133 4.793 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 61.221 36.353 5.630 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 59.922 36.481 4.863 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 61.910 20.106 48.824 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 62.020 19.361 48.233 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 61.320 20.698 48.357 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 32.768 58.693 7.322 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 33.368 58.046 7.693 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 32.173 58.181 6.774 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 56.560 76.874 48.048 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 57.149 76.471 47.410 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 56.038 76.147 48.386 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 59.811 12.728 -13.301 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 59.469 11.847 -13.149 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 60.680 12.720 -12.902 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 76.435 77.815 -9.004 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 76.656 78.452 -8.325 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 76.029 77.090 -8.530 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 33.768 52.584 22.953 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 34.616 52.519 23.392 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 33.432 51.688 22.945 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 48.840 93.949 -9.183 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 48.223 93.760 -9.890 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 48.941 94.901 -9.201 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 82.733 59.888 14.848 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 82.823 60.825 15.023 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 83.455 59.684 14.254 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 68.780 39.026 40.078 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 69.722 39.115 40.226 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 68.381 39.638 40.696 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 58.346 6.951 49.448 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 58.490 7.893 49.349 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 59.002 6.674 50.088 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 63.969 11.618 48.131 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 63.381 11.221 47.489 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 64.479 12.253 47.629 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 83.008 59.699 42.810 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 82.150 59.290 42.696 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 83.496 59.085 43.359 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 68.123 40.775 37.685 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 68.771 40.257 38.162 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 68.553 40.995 36.858 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 22.237 76.005 2.655 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 22.185 76.209 3.588 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 23.086 75.576 2.549 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 23.720 90.206 62.178 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 23.352 89.497 62.705 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 24.655 90.008 62.127 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 78.148 43.039 16.881 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 78.150 43.944 17.192 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 78.871 43.000 16.254 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 79.786 40.136 38.222 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 80.304 40.674 37.624 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 80.425 39.557 38.639 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 80.389 28.859 -10.472 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 80.683 27.974 -10.687 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 79.447 28.771 -10.328 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 59.322 32.828 42.566 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 58.488 33.233 42.802 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 59.546 33.215 41.719 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 71.746 17.200 -5.573 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 72.281 16.816 -4.878 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 71.721 18.134 -5.369 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 75.017 26.690 5.423 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 74.858 27.606 5.652 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 75.850 26.478 5.845 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 47.995 4.442 51.369 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 48.362 4.144 50.537 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 47.619 3.655 51.762 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 82.468 72.607 -17.071 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 83.050 71.945 -17.444 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 82.218 73.154 -17.816 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 67.241 65.158 26.495 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 67.131 65.326 25.559 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 66.471 65.554 26.903 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 58.532 9.337 57.875 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 58.556 9.435 56.924 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 57.828 8.708 58.034 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 28.952 42.394 30.739 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 29.368 43.067 30.201 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 29.646 42.092 31.325 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 34.422 67.638 -3.304 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 34.054 68.124 -2.567 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 33.852 67.852 -4.042 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 72.281 20.811 -7.289 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 71.460 20.495 -6.912 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 72.961 20.451 -6.720 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 48.828 76.453 60.418 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 49.774 76.599 60.432 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 48.577 76.590 59.505 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 31.966 47.364 7.559 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 32.052 47.071 6.652 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 32.746 47.022 7.997 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 62.182 81.177 5.452 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 61.787 82.030 5.267 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 61.454 80.639 5.764 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 70.591 11.969 36.410 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 70.815 12.898 36.467 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 70.195 11.871 35.544 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 63.761 7.812 -1.932 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 64.710 7.733 -1.835 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 63.617 8.735 -2.140 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 58.090 2.267 57.251 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 58.568 1.587 56.777 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 57.505 1.787 57.836 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 25.318 83.868 6.571 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 25.947 84.219 7.202 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 25.597 82.963 6.432 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 86.548 37.130 61.491 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 87.370 37.059 61.006 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 85.982 37.659 60.928 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 81.481 34.697 59.654 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 80.935 33.913 59.719 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 81.497 34.901 58.719 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 39.870 8.425 45.820 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 38.963 8.222 46.047 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 39.913 9.381 45.839 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 30.544 24.006 29.865 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 30.932 24.861 30.053 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 30.167 23.725 30.698 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 27.645 20.723 65.271 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 28.240 21.202 64.694 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 26.949 20.412 64.691 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 64.079 71.427 30.961 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 63.830 70.666 30.435 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 64.784 71.108 31.525 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 56.445 53.497 66.653 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 56.511 52.578 66.394 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 57.335 53.738 66.909 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 70.715 75.789 21.145 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 71.585 75.742 21.541 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 70.112 75.636 21.873 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 74.506 30.227 43.033 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 73.801 30.356 42.398 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 75.190 30.839 42.759 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 48.864 89.865 -11.371 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 48.950 90.715 -11.804 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 48.132 89.978 -10.764 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 80.845 90.339 59.086 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 81.367 91.140 59.127 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 80.916 90.052 58.176 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 83.016 23.192 56.732 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 82.489 22.543 56.267 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 82.775 24.028 56.332 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 85.558 35.718 32.266 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 86.088 35.572 31.483 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 85.384 36.660 32.265 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 57.704 1.522 49.110 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 57.628 1.118 48.246 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 56.832 1.434 49.494 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 31.767 59.691 32.476 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 31.844 60.367 33.150 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 32.136 60.093 31.690 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 76.363 80.626 0.940 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 77.240 81.003 0.876 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 76.006 80.985 1.753 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 89.209 62.043 -3.463 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 89.443 61.367 -2.827 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 89.974 62.617 -3.495 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 34.880 53.306 60.409 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 35.037 52.660 59.721 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 34.097 53.776 60.123 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 52.192 26.724 13.966 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 51.548 27.411 14.139 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 51.850 26.264 13.199 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 21.540 66.187 -3.363 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 21.119 66.991 -3.668 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 21.266 65.519 -3.992 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 57.611 59.394 55.562 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 58.401 59.012 55.946 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 57.757 60.339 55.601 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 27.854 31.224 -9.755 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 27.361 32.037 -9.644 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 28.722 31.507 -10.042 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 82.647 50.942 65.179 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 81.915 50.465 64.789 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 82.808 51.668 64.576 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 40.963 37.678 -12.426 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 40.282 38.094 -11.898 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 41.716 38.264 -12.351 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 46.039 10.645 65.802 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 46.547 11.142 65.161 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 46.654 9.996 66.144 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 26.975 44.211 47.437 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 26.114 43.793 47.407 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 26.826 45.093 47.097 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 75.399 18.633 64.798 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 75.945 17.938 65.167 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 74.686 18.170 64.360 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 88.165 72.209 36.094 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 87.974 71.428 36.613 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 88.461 71.869 35.249 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 60.002 52.115 -9.653 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 59.655 51.457 -9.051 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 60.051 52.916 -9.131 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 72.268 87.480 32.428 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 72.067 87.852 31.569 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 71.870 86.609 32.411 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 45.888 77.256 -13.950 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 46.593 76.632 -14.123 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 45.441 77.353 -14.791 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 65.427 6.927 -5.757 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 64.957 7.554 -5.208 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 66.175 7.418 -6.095 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 87.700 76.542 33.459 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 87.692 76.285 32.537 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 88.593 76.358 33.751 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 56.937 33.487 65.400 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 57.054 34.436 65.351 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 56.880 33.205 64.487 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 35.794 53.409 53.106 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 36.433 54.011 52.725 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 35.062 53.414 52.489 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 45.289 94.523 26.837 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 44.401 94.169 26.784 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 45.600 94.528 25.932 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 40.495 3.177 51.580 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 41.133 2.744 51.013 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 40.793 4.085 51.627 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 64.721 44.288 45.285 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 64.700 43.459 44.807 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 65.538 44.703 45.010 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 67.686 32.856 48.692 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 67.101 33.188 49.373 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 67.110 32.671 47.951 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 53.464 70.412 -2.774 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 53.862 69.548 -2.882 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 54.087 70.897 -2.233 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 88.115 1.017 28.931 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 87.937 1.591 28.186 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 88.130 1.604 29.687 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 22.813 33.853 -6.603 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 22.044 34.178 -6.135 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 23.553 34.286 -6.178 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 86.533 46.272 17.789 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 86.533 46.986 17.152 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 87.029 45.571 17.365 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 60.404 13.199 24.273 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 60.630 12.319 24.577 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 61.109 13.755 24.605 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 76.239 22.890 66.319 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 75.425 22.609 65.901 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 76.117 23.827 66.475 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 62.441 26.188 -16.847 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 62.438 26.931 -16.242 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 61.517 25.968 -16.962 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 36.529 4.622 24.001 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 35.632 4.646 23.665 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 36.655 5.478 24.410 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 64.769 92.537 0.651 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 64.718 93.451 0.370 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 63.858 92.274 0.780 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 51.097 16.621 -15.964 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 51.023 16.066 -16.739 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 51.058 17.515 -16.304 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 48.623 49.287 3.481 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 48.603 49.237 4.437 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 48.986 50.153 3.294 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 49.248 56.890 59.995 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 49.644 57.593 59.481 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 49.094 56.187 59.363 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 55.232 30.977 47.388 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 55.173 30.022 47.427 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 55.639 31.158 46.541 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 62.372 29.062 16.714 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 62.339 29.471 15.849 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 61.457 28.890 16.934 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 69.056 57.012 55.564 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 69.679 57.629 55.181 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 68.228 57.201 55.121 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 42.858 58.144 50.205 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 42.918 58.933 49.665 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 43.038 57.425 49.599 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 52.799 21.421 44.537 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 53.544 21.069 45.025 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 53.104 22.267 44.209 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 60.585 69.267 42.830 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 60.007 68.984 42.121 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 60.327 68.729 43.579 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 49.259 0.768 37.941 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 49.845 0.837 37.187 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 49.792 0.359 38.622 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 51.234 26.749 31.129 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 50.806 27.279 30.457 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 52.135 27.073 31.152 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 65.469 30.568 39.697 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 64.973 31.385 39.760 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 65.745 30.385 40.595 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 68.190 42.593 2.169 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 68.208 42.545 3.125 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 69.089 42.403 1.902 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 57.863 44.488 58.857 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 57.323 44.776 59.593 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 58.759 44.515 59.192 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 30.640 10.089 -15.175 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 29.881 10.670 -15.128 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 30.458 9.516 -15.920 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 41.665 72.062 -18.098 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 41.439 72.024 -17.168 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 42.550 71.700 -18.144 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 59.559 86.688 33.231 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 59.578 87.313 32.506 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 58.750 86.195 33.102 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 84.036 82.734 35.087 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 84.390 82.107 35.718 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 83.225 82.331 34.777 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 52.434 96.372 7.859 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 53.325 96.102 8.081 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 51.889 95.622 8.098 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 68.825 39.610 -17.683 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 68.838 38.905 -17.036 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 68.913 40.411 -17.166 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 87.161 93.534 42.377 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 87.519 93.484 41.490 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 87.930 93.611 42.942 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 78.616 17.727 -6.855 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 78.498 17.584 -5.916 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 79.069 16.942 -7.163 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 64.881 24.991 -8.053 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 64.848 24.174 -8.552 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 65.509 24.818 -7.352 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 77.348 83.793 -18.648 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 76.465 83.496 -18.866 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 77.307 84.746 -18.725 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 32.991 64.137 61.165 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 32.151 64.315 61.589 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 33.351 63.394 61.649 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 43.609 9.484 -18.222 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 43.484 8.577 -18.500 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 43.380 10.005 -18.992 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 87.015 85.665 -6.244 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 87.874 85.761 -6.656 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 87.148 85.954 -5.341 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 38.639 27.656 46.268 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 38.873 28.421 45.742 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 38.904 26.907 45.733 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 74.041 86.548 -16.900 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 73.286 86.488 -17.484 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 74.236 87.484 -16.855 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 65.385 47.294 46.250 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 65.938 46.908 45.571 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 65.815 47.060 47.072 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 73.785 88.774 0.408 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 72.921 88.811 -0.001 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 74.123 89.667 0.337 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 76.597 1.828 53.695 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 76.104 2.233 52.981 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 77.492 1.763 53.362 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 73.993 33.252 50.926 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 74.314 33.689 51.715 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 74.522 32.456 50.861 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 81.774 77.877 63.296 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 82.374 78.481 63.733 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 82.109 77.813 62.401 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 31.735 88.314 59.164 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 31.815 88.504 58.229 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 31.122 87.580 59.208 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 58.117 2.977 -3.320 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 58.229 3.843 -2.929 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 59.008 2.645 -3.429 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 55.585 29.642 50.117 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 55.591 29.006 49.401 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 56.122 30.367 49.799 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 34.363 42.406 42.102 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 34.416 42.740 42.998 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 33.721 42.972 41.673 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 51.091 21.462 47.621 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 50.503 21.101 46.957 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 51.736 21.964 47.124 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 59.206 86.811 -6.496 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 58.827 86.212 -7.139 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 58.500 86.966 -5.868 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 69.300 6.418 -14.371 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 68.970 5.523 -14.443 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 69.982 6.477 -15.039 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 75.486 14.761 42.692 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 75.226 14.812 41.773 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 74.660 14.714 43.174 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 89.116 1.908 31.353 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 89.735 1.224 31.098 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 89.527 2.335 32.104 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 75.287 52.535 38.206 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 74.868 53.322 37.858 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 74.966 51.826 37.649 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 68.086 24.359 -0.808 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 68.531 24.905 -0.161 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 67.154 24.520 -0.658 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 23.336 52.566 23.552 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 23.289 53.513 23.682 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 24.214 52.327 23.848 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 25.270 27.326 54.874 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 26.209 27.259 54.704 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 25.075 26.580 55.441 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 69.388 82.564 3.687 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 69.267 81.817 4.273 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 68.562 82.630 3.209 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 42.868 62.979 60.165 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 42.840 62.746 59.237 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 43.665 62.561 60.493 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 65.149 79.999 50.774 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 64.858 79.095 50.895 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 65.636 79.986 49.950 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 80.193 54.362 50.494 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 80.648 54.727 49.736 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 79.264 54.472 50.294 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 43.053 23.334 28.722 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 43.429 23.698 27.921 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 42.152 23.655 28.732 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 58.428 49.540 40.878 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 59.030 50.278 40.790 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 57.566 49.909 40.686 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 73.193 96.726 -13.795 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 73.319 96.755 -14.744 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 72.704 95.917 -13.643 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 83.339 8.220 35.591 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 84.007 7.559 35.412 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 82.514 7.736 35.586 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 36.605 48.474 43.666 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 37.005 49.147 44.217 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 37.333 47.903 43.419 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 55.728 28.326 44.182 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 55.874 28.276 43.237 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 55.515 29.245 44.344 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 58.626 16.523 54.473 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 59.223 16.577 53.726 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 58.127 17.339 54.441 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 44.963 79.916 36.243 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 45.684 79.397 36.600 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 45.143 79.963 35.305 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 45.293 12.784 36.067 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 44.897 11.942 35.841 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 46.162 12.755 35.667 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 41.515 84.058 -12.661 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 41.509 83.864 -11.724 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 40.597 84.222 -12.878 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 59.363 41.324 59.938 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 60.250 40.972 59.866 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 59.179 41.692 59.074 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 52.353 16.448 65.507 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 52.819 16.697 66.305 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 52.635 17.089 64.855 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 84.333 85.515 35.354 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 84.162 84.580 35.243 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 84.167 85.894 34.491 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 44.418 22.554 61.227 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 43.927 22.064 60.568 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 44.579 23.406 60.822 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 44.444 17.857 32.439 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 44.369 18.315 31.602 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 43.540 17.656 32.685 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 90.373 54.543 20.801 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 90.142 53.980 21.540 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 90.607 53.935 20.100 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 57.572 63.338 60.094 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 57.873 63.900 60.809 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 56.685 63.084 60.347 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 59.837 37.160 52.269 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 59.234 37.150 51.526 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 59.659 37.991 52.711 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 31.274 73.890 22.794 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 30.699 74.655 22.794 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 31.429 73.706 23.720 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 70.120 8.814 64.513 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 69.351 8.305 64.255 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 70.688 8.183 64.954 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 81.937 3.863 34.042 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 82.436 3.426 33.351 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 81.291 3.213 34.317 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 64.814 28.210 51.000 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 64.636 28.766 51.758 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 65.695 28.459 50.720 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 32.608 47.052 5.015 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 33.524 47.256 4.825 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 32.321 46.521 4.272 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 49.078 57.604 52.933 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 48.292 57.061 52.991 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 48.929 58.159 52.167 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 52.653 60.632 -14.083 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 52.120 60.684 -13.290 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 53.435 61.146 -13.881 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 56.084 8.396 38.589 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 56.020 9.080 39.255 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 56.892 8.595 38.116 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 54.094 29.712 60.132 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 54.228 30.315 59.401 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 53.383 30.104 60.639 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 39.112 35.160 31.734 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 39.428 35.979 32.118 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 38.651 35.430 30.939 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 24.196 90.237 -17.815 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 24.800 89.682 -17.322 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 24.146 89.829 -18.679 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 86.205 71.848 5.478 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 86.659 71.486 4.716 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 85.470 71.252 5.624 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 71.078 18.309 -16.610 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 71.687 18.492 -15.894 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 71.206 17.380 -16.802 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 60.572 67.257 -1.444 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 59.946 67.957 -1.259 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 60.135 66.711 -2.097 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 51.546 4.131 52.355 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 51.089 4.888 51.987 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 51.984 4.472 53.135 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 54.677 40.286 -14.395 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 53.809 40.634 -14.601 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 55.262 40.716 -15.019 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 62.145 46.149 -16.044 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 62.798 46.227 -15.348 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 61.304 46.216 -15.591 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 68.306 38.196 -1.418 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 67.795 37.407 -1.599 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 69.018 37.896 -0.853 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 36.539 40.924 63.513 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 36.168 40.453 64.259 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 35.903 41.614 63.324 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 42.936 37.971 8.052 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 42.948 38.904 8.265 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 43.544 37.574 8.676 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 32.057 94.269 10.098 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 32.170 95.075 9.593 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 32.949 93.985 10.299 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 63.383 89.982 35.902 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 63.129 90.575 36.608 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 63.991 89.367 36.312 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 83.595 75.868 15.718 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 84.352 75.721 16.285 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 83.341 74.993 15.424 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 65.447 16.600 65.009 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 64.736 17.203 65.226 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 66.047 17.119 64.473 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 66.737 18.585 17.832 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 66.584 17.921 17.161 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 67.135 19.317 17.360 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 80.100 90.783 23.491 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 79.375 91.055 22.929 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 80.138 91.452 24.174 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 47.143 26.984 33.308 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 47.551 26.519 32.578 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 47.460 27.883 33.227 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 53.793 39.197 55.080 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 52.937 39.449 55.426 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 53.595 38.574 54.381 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 74.235 7.677 9.839 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 74.380 8.499 9.369 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 75.069 7.212 9.772 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 83.285 29.494 16.996 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 82.341 29.450 17.145 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 83.658 29.661 17.862 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 77.168 52.626 -12.311 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 77.634 52.323 -11.531 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 76.250 52.418 -12.138 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 54.497 40.795 50.245 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 53.876 41.036 49.558 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 54.333 41.424 50.948 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 48.347 33.232 50.186 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 49.200 32.945 49.858 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 47.943 33.682 49.444 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 41.206 36.734 -4.873 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 41.531 36.537 -5.751 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 41.378 35.939 -4.369 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 61.295 33.096 -17.128 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 60.414 32.795 -17.353 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 61.251 34.049 -17.208 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 66.505 37.542 -6.656 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 67.374 37.283 -6.960 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 66.635 37.793 -5.741 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 81.085 26.210 54.060 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 81.178 27.086 53.685 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 81.140 25.620 53.307 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 34.851 42.751 45.059 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 34.066 42.345 45.428 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 35.159 43.343 45.746 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 45.122 36.578 0.382 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 44.766 35.900 0.956 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 45.446 37.252 0.979 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 81.084 55.691 30.283 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 80.137 55.743 30.156 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 81.447 55.723 29.398 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 36.592 37.693 -7.822 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 36.521 38.575 -8.187 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 36.213 37.764 -6.946 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 83.515 84.943 17.525 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 84.430 84.775 17.751 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 83.144 84.075 17.366 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 55.413 25.381 56.907 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 54.748 25.452 56.222 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 55.252 26.133 57.477 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 58.579 14.428 -11.639 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 58.955 13.883 -12.331 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 58.967 14.091 -10.832 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 29.050 47.989 10.733 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 29.777 48.155 11.333 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 29.286 48.459 9.933 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 65.044 29.808 16.736 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 64.869 29.983 15.811 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 64.178 29.786 17.144 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 78.939 64.782 62.856 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 78.370 65.500 63.134 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 78.410 63.994 62.984 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 41.725 95.522 -1.504 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 42.171 95.778 -2.312 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 40.900 95.138 -1.798 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 35.395 40.703 16.012 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 34.988 41.552 16.185 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 36.334 40.863 16.106 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 46.067 55.832 49.557 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 46.994 55.682 49.374 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 45.697 56.105 48.718 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 78.978 31.505 -17.040 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 79.819 31.068 -16.906 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 78.621 31.616 -16.159 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 74.815 23.981 36.843 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 75.123 24.594 36.175 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 75.603 23.515 37.123 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 69.961 63.887 39.846 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 69.254 64.420 40.210 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 69.608 62.997 39.833 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 44.254 38.734 61.945 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 43.864 38.242 62.668 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 44.437 38.074 61.277 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 26.749 45.503 39.602 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 26.584 44.561 39.638 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 27.645 45.603 39.924 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 24.212 24.636 52.438 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 23.921 23.917 52.999 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 25.156 24.690 52.589 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 29.927 37.039 59.645 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 29.086 37.255 60.047 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 30.019 37.667 58.929 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 54.692 55.416 53.284 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 54.212 54.682 52.901 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 54.144 55.708 54.012 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 86.024 76.912 6.723 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 85.760 76.029 6.464 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 86.967 76.846 6.872 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 58.508 15.050 49.257 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 57.588 15.140 49.007 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 58.831 15.950 49.310 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 50.208 28.925 40.628 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 49.992 29.172 39.729 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 49.404 29.087 41.121 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 37.332 31.400 -8.397 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 36.741 32.123 -8.609 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 36.757 30.708 -8.071 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 55.397 82.989 -18.636 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 55.358 82.188 -18.113 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 54.602 83.468 -18.400 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 63.872 95.021 -8.391 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 64.763 94.738 -8.185 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 63.813 94.952 -9.344 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 77.501 20.847 57.306 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 78.059 21.524 57.689 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 77.512 21.030 56.367 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 58.749 86.066 59.187 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 58.072 86.731 59.309 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 58.418 85.298 59.653 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 73.131 94.387 20.133 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 72.476 94.411 20.832 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 72.838 95.051 19.508 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 74.667 35.382 66.963 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 74.217 35.214 67.791 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 73.982 35.308 66.298 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 86.282 58.064 16.329 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 86.070 58.073 15.396 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 85.784 58.794 16.696 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 79.054 46.711 -11.261 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 79.633 46.077 -11.684 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 78.747 46.266 -10.471 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 24.396 60.116 28.162 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 23.784 60.389 28.845 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 25.259 60.342 28.508 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 44.440 36.993 24.896 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 43.658 37.037 24.346 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 45.170 37.063 24.280 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 70.300 40.137 -7.638 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 70.616 40.806 -8.246 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 69.347 40.220 -7.664 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 45.957 45.152 39.000 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 45.447 45.765 39.530 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 46.417 45.705 38.369 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 43.000 21.664 50.426 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 43.423 21.217 49.693 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 42.144 21.243 50.502 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 79.308 10.605 -15.213 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 79.029 9.696 -15.317 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 79.304 10.751 -14.266 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 87.698 28.844 10.622 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 88.479 28.297 10.547 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 88.030 29.741 10.606 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 52.688 43.459 -17.059 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 51.992 43.194 -17.660 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 52.229 43.868 -16.325 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 86.171 6.421 64.134 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 87.125 6.467 64.069 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 85.855 6.998 63.439 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 59.512 37.055 -0.624 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 58.994 37.703 -1.102 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 58.943 36.776 0.094 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 60.956 63.452 42.541 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 60.525 64.103 41.986 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 61.798 63.292 42.114 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 86.446 78.033 37.727 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 86.016 78.556 38.403 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 85.726 77.675 37.207 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 55.017 56.652 -15.435 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 54.557 55.814 -15.487 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 54.373 57.297 -15.727 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 79.031 95.009 53.202 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 79.294 94.890 52.289 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 79.255 95.919 53.399 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 81.202 73.720 -13.275 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 81.834 73.955 -13.954 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 80.613 74.473 -13.224 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 58.291 8.512 66.558 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 58.467 8.529 67.499 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 58.776 9.260 66.209 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 64.264 17.191 -4.079 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 64.067 16.805 -3.226 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 64.973 17.810 -3.904 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 52.638 78.010 54.143 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 52.679 78.966 54.155 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 53.540 77.734 53.975 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 42.157 86.209 66.715 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 42.297 86.118 65.772 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 41.206 86.190 66.820 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 40.641 35.928 50.589 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 40.536 36.677 51.176 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 41.545 35.990 50.280 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 63.209 11.857 56.330 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 63.001 11.282 57.066 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 62.460 11.772 55.740 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 34.091 6.065 38.529 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 34.659 5.510 39.063 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 34.021 5.604 37.693 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 23.492 50.357 31.023 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 22.805 50.443 30.362 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 24.263 50.757 30.622 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 86.460 55.517 38.930 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 87.350 55.570 39.278 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 86.056 56.349 39.176 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 57.874 22.124 45.458 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 57.836 21.214 45.751 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 57.219 22.180 44.763 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 67.918 34.491 39.150 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 67.340 34.021 38.549 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 67.348 35.126 39.583 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 61.823 85.361 54.376 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 61.456 84.965 55.166 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 62.736 85.074 54.365 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 38.001 88.837 25.590 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 38.782 88.516 26.040 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 37.740 88.116 25.018 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 43.070 4.965 42.526 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 43.484 5.488 41.840 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 43.671 5.023 43.269 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 86.742 57.547 -1.837 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 87.242 57.983 -2.527 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 86.886 58.086 -1.059 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 35.061 57.850 47.611 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 35.133 56.940 47.321 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 35.954 58.191 47.558 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 72.265 81.541 -13.681 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 73.178 81.762 -13.868 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 72.273 81.234 -12.775 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 53.805 3.330 50.573 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 53.017 3.260 51.112 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 53.538 3.868 49.828 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 83.421 75.391 -14.376 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 83.619 76.286 -14.098 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 84.256 74.928 -14.305 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 34.054 59.564 45.488 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 34.584 59.029 46.079 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 34.593 60.335 45.313 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 21.822 78.320 33.794 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 21.454 77.451 33.961 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 22.651 78.325 34.271 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 61.784 83.194 9.592 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 61.516 83.050 8.684 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 60.980 83.454 10.041 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 78.006 29.347 58.694 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 78.299 29.970 59.359 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 78.334 28.500 58.997 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 79.326 19.679 52.287 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 78.472 19.257 52.186 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 79.727 19.618 51.420 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 63.014 71.106 -11.457 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 63.324 70.305 -11.035 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 62.450 71.519 -10.803 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 30.368 12.403 4.484 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 30.430 12.311 5.435 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 29.967 13.262 4.352 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 41.295 7.687 62.657 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 40.934 7.078 62.013 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 42.175 7.882 62.336 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 51.415 74.458 2.228 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 51.601 75.140 2.874 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 51.945 73.712 2.508 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 52.067 83.679 -10.696 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 51.160 83.808 -10.419 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 52.575 83.743 -9.887 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 35.242 84.176 62.179 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 36.023 84.169 61.626 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 35.291 85.006 62.654 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 87.111 58.836 0.289 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 87.877 59.203 0.732 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 86.680 58.303 0.956 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 29.365 14.900 56.952 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 28.780 15.622 56.723 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 29.739 14.621 56.116 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 25.175 81.417 -7.665 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 24.269 81.555 -7.942 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 25.667 82.112 -8.100 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 78.289 75.289 36.807 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 78.032 74.849 35.997 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 78.924 75.950 36.531 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 27.735 56.355 -4.198 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 28.555 55.922 -3.959 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 27.055 55.829 -3.779 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 50.252 61.106 -15.592 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 51.161 61.111 -15.291 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 50.267 61.601 -16.411 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 66.416 95.951 45.986 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 66.612 95.129 46.436 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 65.973 95.684 45.181 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 90.727 20.987 64.605 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 90.472 21.851 64.929 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 90.102 20.799 63.905 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 38.951 43.654 54.315 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 39.737 44.011 53.900 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 38.225 44.032 53.820 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 66.467 57.507 23.223 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 65.868 57.330 23.948 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 65.901 57.558 22.452 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 37.549 39.533 52.323 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 38.317 40.068 52.123 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 37.736 39.156 53.182 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 37.608 91.773 54.426 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 36.789 91.956 54.887 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 37.394 91.894 53.501 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 59.358 67.855 52.160 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 58.702 67.763 52.850 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 58.916 67.552 51.367 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 64.427 69.697 42.836 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 64.380 69.100 43.583 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 64.557 70.561 43.228 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 60.119 38.694 63.372 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 59.431 39.203 63.801 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 60.481 38.146 64.069 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 64.182 82.019 8.481 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 63.368 82.414 8.795 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 63.922 81.153 8.167 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 42.190 46.073 -11.915 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 42.979 46.526 -12.212 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 41.468 46.590 -12.271 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 89.965 35.164 51.457 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 90.169 36.030 51.810 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 89.312 35.329 50.777 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 37.079 14.626 35.684 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 37.037 15.565 35.863 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 37.986 14.472 35.420 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 81.087 57.666 32.006 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 80.330 58.113 31.625 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 81.203 56.887 31.463 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 60.334 9.097 18.307 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 59.733 8.701 17.676 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 60.725 8.353 18.765 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 29.864 13.485 27.471 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 30.641 14.026 27.614 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 29.626 13.644 26.557 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 80.926 20.504 -14.759 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 80.889 21.400 -14.423 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 80.568 20.565 -15.644 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 57.292 21.247 18.947 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 57.491 22.073 19.387 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 56.414 21.372 18.586 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 71.478 69.578 63.253 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 71.417 68.674 62.944 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 71.609 69.500 64.198 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 25.647 69.186 66.556 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 25.287 69.457 67.401 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 25.027 69.526 65.911 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 81.554 65.586 -4.770 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 82.341 66.125 -4.688 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 81.867 64.759 -5.137 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 50.964 95.451 55.994 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 50.599 94.650 55.618 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 50.364 95.677 56.705 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 45.315 22.749 67.188 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 45.369 22.404 66.297 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 44.377 22.839 67.354 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 28.201 18.053 37.513 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 28.295 18.829 38.064 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 29.099 17.808 37.287 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 89.705 63.441 36.854 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 89.567 64.378 36.715 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 89.844 63.355 37.797 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 77.330 89.992 13.456 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 77.811 89.889 14.276 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 77.802 89.443 12.830 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 58.968 17.484 -5.152 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 59.899 17.337 -4.984 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 58.884 18.434 -5.223 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 39.883 64.975 60.792 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 40.701 64.717 61.215 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 39.732 64.300 60.130 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 40.675 8.306 32.294 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 39.803 7.958 32.483 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 40.510 9.116 31.812 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 50.785 26.196 44.759 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 50.230 26.089 43.987 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 51.567 26.642 44.434 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 25.397 17.726 -13.630 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 24.713 18.393 -13.691 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 26.212 18.224 -13.557 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 70.938 27.347 53.379 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 70.136 27.700 52.994 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 70.924 26.417 53.152 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 69.082 89.985 0.057 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 68.187 90.209 0.312 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 69.350 90.695 -0.527 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 33.550 88.158 -18.316 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 32.595 88.106 -18.294 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 33.792 88.508 -17.458 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 54.681 84.112 52.289 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 54.903 83.367 51.730 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 53.998 83.779 52.872 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 22.419 33.699 12.327 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 21.526 33.923 12.062 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 22.390 33.694 13.284 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 76.340 69.443 -10.060 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 77.118 69.799 -9.630 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 76.090 68.692 -9.521 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 75.152 88.561 36.354 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 74.368 88.915 36.774 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 74.882 87.704 36.024 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 57.929 19.318 -9.714 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 58.485 18.649 -9.314 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 58.457 19.671 -10.431 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 46.003 40.368 50.250 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 45.393 41.096 50.128 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 46.798 40.776 50.592 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 48.127 49.692 47.476 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 48.711 49.077 47.920 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 48.714 50.266 46.983 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 22.565 73.297 56.351 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 22.630 72.700 55.606 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 22.521 72.724 57.116 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 56.164 83.943 0.470 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 56.578 84.463 1.159 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 55.230 84.134 0.554 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 23.600 86.639 -4.807 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 24.520 86.870 -4.679 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 23.142 87.071 -4.087 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 30.127 16.155 46.863 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 30.816 16.303 47.511 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 30.009 17.005 46.440 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 34.638 60.976 51.334 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 35.535 61.235 51.544 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 34.657 60.786 50.396 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 52.396 87.467 63.201 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 51.620 87.485 63.761 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 52.053 87.301 62.322 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 48.523 10.113 39.584 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 48.772 9.711 38.752 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 49.252 9.916 40.173 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 22.818 35.041 66.573 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 23.192 35.845 66.212 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 22.873 35.155 67.522 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 44.215 24.537 -14.039 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 43.452 24.210 -13.562 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 44.111 24.189 -14.925 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 51.829 19.154 -17.778 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 51.889 19.781 -17.057 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 52.211 19.612 -18.527 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 43.532 4.010 31.496 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 44.102 3.900 32.257 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 44.103 4.373 30.819 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 31.416 63.829 -1.034 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 30.470 63.711 -0.954 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 31.763 63.569 -0.180 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 78.482 30.964 40.204 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 78.919 31.816 40.224 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 79.146 30.362 39.868 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 60.010 33.875 44.933 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 60.422 34.587 44.443 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 59.814 33.211 44.271 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 82.782 87.782 8.713 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 82.363 88.557 9.086 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 82.653 87.099 9.371 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 26.017 88.220 15.559 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 26.290 87.430 16.024 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 26.834 88.612 15.250 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 27.668 33.992 18.165 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 27.845 33.604 17.308 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 28.382 34.616 18.298 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 61.394 18.440 35.205 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 61.491 17.674 34.640 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 62.242 18.882 35.158 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 21.140 60.546 32.922 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 21.604 60.724 32.104 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 20.253 60.311 32.649 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 70.214 63.370 54.310 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 69.283 63.430 54.525 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 70.236 62.917 53.467 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 69.000 91.272 39.278 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 69.357 91.149 38.399 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 68.777 90.389 39.573 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 78.596 87.307 44.437 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 78.704 88.185 44.072 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 77.680 87.273 44.714 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 24.295 9.736 37.755 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 23.634 10.082 37.155 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 24.465 8.849 37.438 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 21.499 61.854 12.733 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 21.947 61.772 11.891 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 22.183 62.130 13.343 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 68.584 8.989 -15.167 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 68.930 8.278 -14.628 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 68.783 9.784 -14.673 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 37.457 56.731 41.712 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 38.003 57.418 42.093 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 38.068 56.182 41.221 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 48.437 41.225 48.191 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 49.176 41.743 47.874 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 48.094 41.724 48.933 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 66.043 21.946 42.061 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 66.892 22.060 42.488 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 65.434 22.450 42.600 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 42.390 85.411 63.735 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 43.240 85.219 63.340 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 42.135 84.595 64.166 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 60.019 57.802 -3.267 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 60.248 58.700 -3.027 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 60.604 57.257 -2.741 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 68.944 58.343 4.194 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 69.724 58.860 4.395 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 68.585 58.108 5.050 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 82.739 76.435 60.715 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 83.276 77.221 60.614 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 83.363 75.745 60.940 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 64.503 33.753 44.180 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 64.305 34.595 44.589 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 64.810 33.979 43.302 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 82.875 42.795 21.536 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 82.997 43.547 20.956 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 83.022 42.033 20.976 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 29.632 57.260 34.815 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 29.063 57.696 34.180 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 30.406 57.010 34.311 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 58.252 36.584 6.147 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 57.858 35.985 6.782 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 57.721 37.378 6.204 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 59.738 50.070 -7.078 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 58.978 50.038 -7.659 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 59.394 49.827 -6.219 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 37.529 48.345 63.923 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 37.930 48.363 63.054 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 37.946 47.605 64.365 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 27.642 58.054 -9.276 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 27.858 57.915 -8.354 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 28.414 58.486 -9.641 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 67.548 53.738 51.864 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 66.612 53.644 51.688 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 67.971 53.510 51.036 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 45.500 58.559 44.293 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 45.625 58.416 43.354 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 45.897 59.414 44.460 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 41.965 36.448 66.799 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 41.656 36.146 67.653 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 41.616 35.809 66.177 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 59.214 57.023 57.090 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 58.335 56.993 56.712 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 59.570 56.148 56.937 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 26.424 65.794 33.161 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 27.299 66.130 33.356 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 26.534 64.844 33.123 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 34.313 43.475 9.304 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 33.486 42.994 9.263 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 34.965 42.860 8.970 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 32.715 81.222 -18.121 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 31.801 81.502 -18.182 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 32.700 80.484 -17.512 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 50.309 27.448 -7.164 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 50.162 27.941 -6.356 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 51.252 27.512 -7.316 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 63.655 15.927 46.926 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 63.768 16.189 46.013 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 63.901 15.002 46.942 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 48.477 2.694 61.779 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 47.669 2.432 62.220 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 49.049 2.994 62.485 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 74.997 63.144 15.265 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 74.207 63.604 14.983 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 74.826 62.910 16.177 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 48.070 47.130 60.337 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 47.856 48.062 60.316 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 48.653 47.000 59.589 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 22.892 29.100 -6.957 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 22.571 29.506 -7.762 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 22.801 29.782 -6.291 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 25.210 78.945 -6.684 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 25.110 79.848 -6.985 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 24.852 78.948 -5.796 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 80.918 95.411 46.549 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 80.024 95.255 46.244 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 80.817 95.672 47.465 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 55.356 67.253 61.161 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 55.242 67.920 60.484 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 54.622 66.652 61.033 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 25.573 46.245 19.057 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 25.763 46.111 19.986 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 25.157 47.107 19.020 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 54.364 18.556 33.625 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 53.847 17.911 34.109 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 54.196 18.356 32.704 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 73.944 90.627 -12.818 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 74.697 90.722 -12.235 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 73.805 91.504 -13.176 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 22.487 91.086 -5.988 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 23.281 90.682 -5.638 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 21.804 90.859 -5.356 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 89.027 43.652 26.565 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 89.263 44.437 26.069 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 89.487 42.940 26.121 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 89.959 0.895 38.618 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 90.486 0.864 37.820 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 89.844 1.829 38.794 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 34.115 77.319 46.032 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 34.739 77.002 46.685 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 34.661 77.686 45.336 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 84.092 34.280 27.592 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 84.454 33.860 26.811 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 83.742 35.113 27.276 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 62.469 85.295 50.962 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 62.117 84.526 51.409 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 61.730 85.641 50.461 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 72.007 62.982 35.010 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 72.551 63.351 35.705 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 72.615 62.822 34.288 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 87.652 90.285 64.792 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 88.085 89.574 65.264 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 87.152 90.749 65.463 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 75.873 73.268 7.483 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 75.150 72.693 7.230 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 76.130 73.701 6.669 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 72.665 16.557 -8.268 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 71.941 15.937 -8.177 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 72.666 17.046 -7.445 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 62.795 34.259 54.289 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 63.016 34.119 55.210 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 62.088 33.638 54.115 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 74.577 34.083 10.170 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 74.593 33.629 11.013 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 73.770 34.598 10.190 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 64.508 93.458 -11.800 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 63.585 93.713 -11.796 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 64.555 92.735 -12.424 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 43.957 90.058 34.133 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 43.784 89.519 34.905 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 43.323 89.757 33.483 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 70.666 3.904 -12.067 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 71.470 4.280 -12.426 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 70.903 3.637 -11.179 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 69.916 48.560 53.958 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 69.961 48.601 53.003 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 69.014 48.803 54.167 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 39.058 27.659 28.304 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 39.154 28.127 27.475 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 39.668 28.098 28.899 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 89.935 27.557 -18.854 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 89.858 27.569 -17.900 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 89.707 28.446 -19.125 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 21.459 88.192 27.431 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 20.828 88.881 27.223 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 22.235 88.413 26.915 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 53.101 27.983 53.014 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 52.845 28.903 53.079 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 52.467 27.600 52.408 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 77.187 0.688 47.870 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 76.654 0.238 47.214 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 77.800 1.217 47.359 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 20.664 11.125 -5.530 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 21.324 11.377 -4.885 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 21.120 11.172 -6.371 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 37.227 25.229 28.093 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 37.842 25.942 28.267 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 37.243 25.125 27.141 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 43.216 94.342 21.623 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 42.570 93.775 22.045 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 43.849 93.737 21.235 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 63.207 34.600 14.417 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 62.995 35.533 14.393 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 63.612 34.468 15.274 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 71.496 54.705 63.366 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 71.076 53.938 62.976 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 71.389 54.584 64.309 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 80.134 42.356 53.103 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 79.793 41.867 52.354 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 81.063 42.477 52.908 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 43.684 22.413 53.481 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 44.602 22.576 53.266 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 43.256 22.295 52.633 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 60.058 38.700 41.288 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 59.661 38.631 40.420 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 59.981 39.627 41.514 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 37.848 2.422 -5.252 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 37.553 3.332 -5.287 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 37.197 1.979 -4.707 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 40.707 14.780 30.082 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 41.536 14.849 30.556 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 40.586 15.642 29.684 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 24.770 76.785 -3.920 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 24.446 77.665 -3.727 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 25.639 76.927 -4.296 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 30.296 26.555 25.258 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 31.080 26.124 25.598 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 30.403 26.533 24.307 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 64.224 82.657 -13.399 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 64.932 82.889 -14.000 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 64.670 82.400 -12.592 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 89.836 2.753 14.647 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 89.910 3.340 15.399 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 90.220 1.929 14.946 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 56.781 11.201 63.607 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 57.322 11.084 64.388 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 57.242 10.719 62.921 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 68.386 59.171 65.281 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 68.043 58.566 65.938 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 67.684 59.249 64.636 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 48.860 56.291 56.006 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 49.121 56.700 55.181 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 48.372 56.972 56.469 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 70.369 22.245 36.932 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 69.879 21.426 36.854 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 71.243 21.976 37.214 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 25.896 56.620 -1.629 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 26.447 57.236 -1.145 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 25.684 55.937 -0.993 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 23.447 10.320 -0.067 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 23.886 11.170 -0.052 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 23.833 9.837 0.664 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 87.831 80.516 23.793 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 87.104 81.132 23.877 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 87.424 79.704 23.492 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 32.832 35.618 39.080 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 33.622 36.034 39.425 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 32.409 36.302 38.560 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 21.432 16.148 56.017 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 20.988 16.996 56.024 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 21.541 15.927 56.941 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 87.857 74.682 24.513 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 87.094 75.012 24.038 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 87.943 73.773 24.227 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 60.550 21.384 -8.562 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 60.396 21.119 -7.655 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 59.883 22.048 -8.735 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 31.279 71.397 -0.739 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 31.983 72.036 -0.845 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 31.025 71.470 0.181 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 35.172 14.436 3.753 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 34.506 15.123 3.801 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 35.066 14.059 2.880 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 35.023 14.202 22.122 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 34.798 15.128 22.040 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 35.951 14.200 22.357 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 69.804 39.112 8.011 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 69.059 38.563 8.253 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 69.821 39.800 8.677 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 52.034 22.255 53.326 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 51.219 21.753 53.318 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 52.658 21.706 52.850 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 87.127 38.487 28.049 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 86.494 37.979 27.541 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 87.197 39.319 27.581 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 82.169 41.697 45.838 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 82.042 40.806 45.512 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 81.570 42.231 45.316 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 76.907 57.676 59.955 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 77.216 57.647 59.049 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 75.958 57.576 59.888 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 74.114 37.356 57.013 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 74.804 36.845 56.590 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 73.751 37.897 56.312 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 55.671 90.897 45.614 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 55.069 91.346 46.208 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 55.511 91.299 44.761 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 32.824 15.291 54.594 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 33.301 16.097 54.397 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 32.738 15.290 55.547 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 66.326 82.600 13.772 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 65.936 82.841 14.612 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 65.603 82.223 13.271 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 74.527 23.308 52.546 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 74.281 24.206 52.325 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 73.697 22.869 52.731 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 25.759 52.130 66.745 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 25.740 52.830 66.092 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 26.065 52.555 67.545 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 24.184 79.493 -4.417 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 24.652 79.940 -3.712 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 23.645 80.175 -4.818 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 90.280 30.430 55.026 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 90.260 30.860 55.880 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 89.559 29.801 55.056 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 38.203 52.370 41.786 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 38.836 53.031 41.505 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 37.470 52.466 41.177 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 28.817 4.828 21.750 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 28.387 5.473 21.188 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 28.224 4.077 21.752 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 23.654 87.199 63.252 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 23.832 86.700 64.050 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 24.503 87.567 63.006 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 72.510 61.435 -3.840 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 71.719 61.107 -3.413 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 72.294 62.334 -4.088 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 43.673 90.626 8.512 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 43.793 90.655 7.563 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 43.607 89.693 8.718 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 82.612 66.342 22.279 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 82.218 66.004 21.475 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 81.999 66.093 22.971 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 57.037 35.560 49.754 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 56.726 36.334 50.224 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 56.555 34.832 50.145 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 88.034 51.743 -5.760 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 87.742 52.067 -6.612 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 88.941 51.472 -5.904 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 88.807 21.442 12.697 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 88.173 21.160 12.037 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 89.078 20.633 13.130 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 61.725 90.264 -16.287 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 61.024 90.637 -15.751 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 61.671 90.740 -17.116 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 27.738 27.008 57.038 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 27.809 26.169 56.584 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 28.491 27.027 57.628 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 21.469 41.744 3.768 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 21.168 41.147 3.083 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 21.614 41.182 4.529 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 32.473 40.408 51.270 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 32.655 39.548 51.649 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 32.612 40.291 50.331 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 45.734 82.313 56.716 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 45.018 82.679 57.235 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 46.527 82.664 57.120 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 23.885 2.364 47.382 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 23.130 1.869 47.701 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 24.368 2.601 48.173 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 61.569 67.643 29.111 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 60.915 68.339 29.044 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 61.193 66.913 28.619 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 59.646 25.637 50.205 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 58.715 25.576 49.989 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 59.777 26.555 50.444 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 57.873 67.833 -4.629 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 57.573 67.490 -5.471 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 57.525 67.219 -3.983 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 23.866 43.643 -9.540 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 23.272 44.086 -10.146 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 23.381 43.604 -8.715 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 55.370 62.576 24.916 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 55.239 62.329 24.001 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 55.366 61.745 25.392 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 34.793 60.565 58.968 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 34.792 59.655 58.672 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 35.151 61.058 58.230 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 20.889 44.066 31.050 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 20.000 43.929 30.723 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 20.902 44.979 31.336 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 67.823 67.975 57.695 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 67.005 67.481 57.641 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 67.660 68.638 58.366 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 48.886 52.020 -5.644 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 49.706 51.645 -5.323 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 48.235 51.770 -4.988 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 72.668 60.507 -7.130 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 71.980 60.768 -6.518 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 72.262 59.831 -7.673 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 40.932 28.462 -10.219 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 40.547 29.308 -9.991 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 40.751 28.360 -11.154 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 47.339 7.568 18.332 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 46.400 7.715 18.219 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 47.754 8.271 17.832 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 66.591 17.978 0.126 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 67.544 17.996 0.029 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 66.410 18.602 0.829 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 36.878 67.063 49.471 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 36.338 67.830 49.281 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 37.210 66.786 48.617 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 85.902 26.126 51.595 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 85.568 25.291 51.268 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 86.849 26.072 51.469 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 57.388 68.830 -8.873 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 57.627 69.582 -8.331 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 56.498 68.610 -8.599 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 36.864 31.657 42.254 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 36.880 31.923 43.173 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 37.779 31.470 42.043 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 64.167 49.373 42.668 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 63.722 50.127 42.282 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 64.753 49.749 43.324 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 31.788 22.720 25.147 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 31.595 22.408 24.263 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 31.687 23.670 25.094 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 26.877 47.694 38.065 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 26.692 47.164 37.290 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 26.768 47.090 38.800 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 73.893 28.863 11.676 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 74.001 29.089 12.600 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 73.314 28.101 11.682 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 48.076 62.253 -11.434 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 47.585 61.542 -11.844 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 47.407 62.804 -11.027 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 43.360 78.939 28.020 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 44.242 79.143 28.332 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 43.450 78.092 27.583 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 82.210 11.900 -1.668 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 81.880 12.666 -1.199 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 82.137 12.135 -2.593 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 45.350 75.857 8.207 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 45.249 74.990 7.813 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 46.176 76.186 7.852 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 20.810 50.479 16.007 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 21.598 50.977 15.792 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 20.090 51.007 15.662 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 29.713 41.989 43.796 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 29.267 41.929 42.952 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 29.441 42.835 44.152 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 38.941 89.700 28.743 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 39.552 89.508 28.032 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 38.118 89.293 28.470 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 73.792 8.167 65.768 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 73.478 8.352 64.883 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 73.004 7.929 66.257 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 55.033 7.547 -18.395 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 55.804 7.049 -18.122 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 54.697 7.073 -19.156 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 66.108 96.548 20.605 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 66.579 96.304 19.809 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 65.524 95.809 20.775 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 82.379 78.796 38.524 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 81.544 79.108 38.873 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 82.354 77.848 38.651 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 57.449 51.802 -16.728 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 57.518 51.840 -17.682 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 58.050 51.103 -16.472 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 66.745 34.252 52.337 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 67.156 34.791 51.661 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 67.051 34.627 53.162 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 70.165 76.136 32.003 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 69.284 75.855 32.249 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 70.102 76.330 31.068 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 68.515 55.950 8.325 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 69.233 55.919 8.957 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 67.739 55.709 8.831 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 67.204 25.962 43.222 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 66.621 26.501 42.687 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 67.186 26.375 44.086 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 80.223 1.507 -11.880 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 80.746 0.711 -11.785 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 79.918 1.701 -10.994 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 53.961 30.629 35.170 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 54.036 31.584 35.174 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 53.103 30.458 34.782 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 44.375 70.960 30.271 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 44.897 71.758 30.349 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 44.972 70.257 30.527 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 71.585 30.926 27.894 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 71.309 31.703 27.408 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 71.946 30.342 27.227 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 44.874 53.709 -17.163 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 43.940 53.821 -16.985 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 45.298 54.406 -16.663 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 90.196 89.661 39.052 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 90.344 89.093 38.296 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 91.006 89.601 39.559 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 65.234 47.838 -5.638 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 65.341 47.504 -4.747 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 64.293 47.988 -5.727 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 63.160 92.440 -19.303 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 63.621 92.818 -20.052 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 62.788 93.194 -18.845 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 47.273 31.926 34.708 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 46.560 32.254 35.256 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 47.522 32.674 34.165 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 58.840 42.704 43.901 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 59.616 43.255 43.804 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 58.797 42.204 43.086 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 37.253 30.254 2.405 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 36.470 29.776 2.677 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 37.881 30.109 3.112 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 49.646 53.805 45.470 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 49.797 54.650 45.046 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 48.695 53.751 45.565 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 40.455 35.857 56.094 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 40.804 35.060 55.694 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 41.195 36.465 56.102 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 36.967 55.831 25.543 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 36.757 56.763 25.602 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 37.922 55.804 25.478 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 74.684 55.253 58.886 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 74.783 54.441 59.385 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 75.523 55.362 58.438 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 74.536 41.725 46.144 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 74.064 41.442 45.360 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 74.832 40.912 46.553 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 53.455 41.344 -11.464 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 53.418 41.125 -12.395 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 52.557 41.223 -11.154 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 61.676 55.904 -18.288 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 61.442 56.832 -18.250 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 60.954 55.456 -17.848 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 55.290 15.986 50.896 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 55.526 15.168 51.332 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 56.064 16.542 50.994 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 45.397 25.357 47.242 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 45.151 25.498 48.156 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 46.025 26.054 47.052 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 61.058 81.816 -16.737 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 61.337 81.033 -17.213 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 60.810 82.437 -17.421 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 37.210 88.421 5.436 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 36.275 88.471 5.633 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 37.366 89.143 4.827 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 27.858 87.248 -14.868 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 27.960 86.296 -14.895 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 28.105 87.490 -13.976 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 66.206 20.803 -12.520 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 65.358 21.247 -12.538 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 66.827 21.481 -12.253 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 88.769 57.773 24.952 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 89.602 57.752 24.481 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 88.542 56.852 25.079 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 39.394 94.536 5.281 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 39.790 95.354 5.581 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 38.472 94.610 5.529 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 77.602 21.609 47.168 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 78.516 21.517 46.898 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 77.241 20.725 47.100 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 85.073 81.762 -18.967 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 84.767 82.363 -18.287 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 85.528 81.070 -18.488 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 50.100 43.832 -18.958 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 49.991 43.416 -18.103 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 49.579 44.634 -18.903 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 76.715 34.374 7.929 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 77.292 34.792 8.567 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 75.949 34.105 8.437 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 60.538 5.338 -4.157 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 60.551 6.295 -4.172 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 60.066 5.117 -3.354 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 36.357 21.848 45.763 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 36.178 20.994 45.370 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 35.795 21.879 46.537 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 41.655 37.240 -7.483 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 42.035 38.052 -7.148 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 41.206 37.499 -8.288 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 75.097 77.842 35.909 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 74.533 77.069 35.927 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 74.637 78.488 36.444 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 21.021 28.568 24.333 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 21.809 28.978 23.977 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 20.559 29.280 24.775 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 36.726 76.028 40.754 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 36.517 75.221 41.225 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 36.226 75.966 39.940 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 26.996 55.907 45.325 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 26.577 55.974 46.183 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 26.399 56.360 44.730 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 81.184 0.745 -1.298 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 80.837 1.548 -1.686 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 81.475 1.008 -0.425 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 72.939 14.359 57.012 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 73.690 14.630 56.483 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 73.293 13.704 57.613 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 45.841 6.374 65.498 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 45.104 5.927 65.914 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 46.310 6.788 66.223 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 39.355 74.327 63.804 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 39.964 74.443 63.074 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 39.879 73.915 64.491 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 76.503 72.645 -16.203 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 76.639 72.428 -15.281 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 75.648 73.075 -16.225 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 87.500 96.717 42.112 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 87.642 96.203 41.316 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 88.075 96.315 42.763 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 70.348 40.736 15.299 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 69.825 41.404 14.856 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 71.182 41.168 15.485 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 50.689 23.980 46.106 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 50.737 24.650 45.424 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 51.593 23.871 46.400 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 72.703 5.600 13.781 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 73.228 5.062 13.189 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 72.614 5.070 14.572 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 22.322 83.347 28.313 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 23.024 82.894 27.846 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 22.430 84.268 28.074 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 33.923 95.470 4.044 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 33.660 95.158 3.178 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 33.146 95.346 4.590 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 80.763 14.860 -1.896 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 79.847 14.776 -1.633 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 80.887 15.798 -2.038 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 22.408 7.477 39.450 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 21.670 7.605 38.854 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 22.771 6.626 39.204 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 49.455 76.875 41.306 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 48.738 77.483 41.483 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 50.190 77.216 41.816 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 49.212 82.472 28.589 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 48.649 82.286 27.837 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 49.718 81.669 28.714 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 35.938 58.912 9.259 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 35.831 59.486 10.018 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 36.791 58.498 9.389 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 52.092 8.344 31.920 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 52.217 8.175 30.986 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 52.230 9.286 32.014 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 69.607 50.447 25.306 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 70.224 50.941 24.766 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 68.757 50.850 25.129 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 81.096 44.497 59.344 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 82.006 44.279 59.548 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 80.886 45.224 59.930 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 75.419 2.167 59.025 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 75.728 1.545 58.365 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 76.212 2.440 59.487 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 29.796 23.045 1.185 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 29.340 23.459 1.918 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 30.152 23.777 0.681 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 28.329 46.637 5.262 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 28.838 46.388 6.033 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 28.432 47.587 5.202 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 31.218 23.731 13.638 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 30.911 23.683 14.543 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 31.250 22.819 13.347 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 53.351 12.995 49.827 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 52.701 12.313 49.657 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 53.652 12.822 50.719 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 78.398 54.339 32.702 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 78.219 55.256 32.494 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 79.288 54.342 33.054 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 47.961 85.274 62.137 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 48.613 84.762 62.615 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 48.232 86.183 62.260 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 44.448 10.495 53.023 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 44.599 11.435 52.925 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 45.293 10.094 52.817 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 86.783 24.502 36.961 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 87.235 24.758 37.765 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 85.963 24.995 36.979 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 50.876 42.119 -7.483 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 50.223 42.025 -6.789 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 50.729 42.997 -7.833 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 34.005 82.809 20.007 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 34.840 83.157 20.318 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 33.549 82.533 20.802 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 75.789 74.052 -19.284 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 75.159 74.757 -19.138 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 76.572 74.493 -19.614 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 31.569 74.113 32.511 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 31.964 73.275 32.268 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 32.289 74.615 32.893 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 86.341 4.481 61.946 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 85.924 4.691 62.781 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 85.842 4.978 61.297 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 69.848 22.632 60.985 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 69.464 21.902 61.472 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 69.267 22.750 60.233 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 32.224 31.114 -16.142 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 32.486 30.648 -15.348 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 32.766 30.734 -16.833 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 33.160 0.662 23.862 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 33.128 0.881 22.930 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 32.359 0.163 24.019 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 73.743 6.507 -0.447 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 72.993 7.023 -0.154 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 73.674 6.504 -1.402 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 65.530 55.488 -11.723 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 65.222 56.318 -12.085 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 66.139 55.150 -12.380 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 79.686 18.684 58.678 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 80.508 18.416 58.269 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 79.858 19.568 59.005 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 26.466 14.116 50.293 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 26.308 15.001 50.621 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 26.368 13.554 51.063 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 64.584 3.227 22.996 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 63.780 3.567 22.604 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 64.510 3.448 23.924 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 73.577 61.226 44.874 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 73.465 61.074 45.813 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 72.903 60.686 44.462 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 64.727 67.059 -18.582 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 65.066 66.659 -17.781 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 65.507 67.359 -19.049 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 77.680 37.022 37.378 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 78.265 36.600 38.008 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 76.847 36.561 37.478 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 54.086 90.085 -14.249 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 53.859 89.171 -14.422 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 53.691 90.274 -13.398 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 84.962 20.137 56.998 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 85.272 19.951 57.885 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 84.314 19.455 56.822 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 49.507 55.486 -2.633 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 49.604 56.033 -1.854 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 48.896 54.798 -2.369 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 22.756 18.953 46.266 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 22.777 18.780 45.325 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 22.951 19.887 46.343 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 85.979 91.427 3.467 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 86.804 91.349 3.948 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 85.597 90.550 3.503 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 23.677 31.581 66.367 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 24.479 31.059 66.386 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 23.622 31.903 65.468 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 51.394 22.096 32.187 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 51.942 21.475 31.707 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 50.519 21.709 32.168 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 21.990 10.127 -11.798 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 22.638 9.480 -11.518 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 22.123 10.208 -12.742 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 61.580 53.824 58.966 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 60.815 53.339 59.275 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 61.229 54.442 58.324 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 33.064 23.267 -4.449 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 32.371 23.851 -4.756 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 33.762 23.360 -5.098 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 41.585 43.260 26.492 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 42.019 43.293 25.639 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 40.991 44.011 26.487 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 63.420 92.873 -15.597 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 64.312 92.527 -15.552 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 62.951 92.257 -16.160 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 73.745 14.953 63.948 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 73.598 14.669 63.046 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 73.534 15.887 63.942 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 25.760 35.416 39.422 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 25.511 36.165 38.880 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 25.177 34.711 39.139 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 80.237 93.218 65.132 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 80.213 93.075 64.185 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 80.421 94.152 65.229 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 42.703 26.715 42.358 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 43.529 26.308 42.098 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 42.799 27.634 42.106 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 56.777 95.471 40.393 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 55.954 95.137 40.037 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 57.029 96.174 39.794 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 54.754 91.921 66.284 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 55.463 91.540 65.767 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 54.789 92.857 66.087 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 53.606 45.197 -11.214 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 54.465 44.901 -11.515 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 53.311 44.510 -10.616 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 77.058 64.107 37.042 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 77.956 64.437 37.065 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 76.548 64.766 37.513 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 37.476 48.868 58.424 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 37.125 49.755 58.502 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 38.289 48.974 57.931 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 74.366 11.518 39.358 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 74.948 12.268 39.235 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 74.189 11.503 40.298 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 33.265 22.202 51.201 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 34.027 22.744 50.993 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 33.616 21.315 51.281 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 88.624 66.526 -17.851 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 88.663 67.337 -17.345 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 88.055 65.951 -17.339 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 53.768 23.413 14.141 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 53.210 22.644 14.256 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 53.224 24.148 14.423 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 26.927 48.615 12.495 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 26.769 49.526 12.742 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 27.499 48.670 11.729 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 90.463 81.124 -6.709 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 89.847 81.274 -5.991 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 90.595 80.176 -6.717 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 78.304 10.491 -8.630 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 77.907 11.007 -9.332 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 78.190 11.027 -7.845 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 85.253 24.834 5.380 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 85.103 23.995 4.944 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 86.096 25.134 5.040 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 52.406 30.876 -14.960 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 52.521 30.590 -14.054 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 53.109 31.510 -15.102 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 43.079 30.902 -18.078 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 42.276 30.546 -17.698 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 43.621 31.132 -17.323 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 35.796 8.649 -9.279 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 36.746 8.534 -9.255 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 35.457 7.794 -9.542 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 26.337 26.354 34.674 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 26.352 25.840 33.866 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 26.026 25.743 35.341 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 71.227 26.311 45.908 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 71.390 26.435 44.973 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 71.329 25.369 46.046 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 80.222 13.134 44.640 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 80.193 13.086 45.595 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 81.150 13.241 44.433 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 42.122 40.734 49.351 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 41.808 40.307 48.554 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 41.815 41.637 49.276 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 86.889 0.686 45.132 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 86.821 1.362 44.457 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 86.175 0.079 44.937 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 30.313 13.442 0.143 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 30.696 14.234 0.520 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 30.880 12.733 0.446 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 77.831 61.840 28.499 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 77.250 62.600 28.541 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 77.972 61.699 27.563 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 78.355 13.776 -0.382 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 77.502 13.358 -0.501 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 78.876 13.128 0.091 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 51.662 50.370 -19.407 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 51.604 49.537 -19.875 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 50.752 50.644 -19.294 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 88.291 28.171 -11.104 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 87.833 28.915 -11.495 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 88.381 28.404 -10.180 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 82.764 61.921 25.966 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 83.366 61.222 26.224 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 82.998 62.115 25.058 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 46.434 34.259 62.791 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 47.111 34.788 63.212 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 45.649 34.806 62.820 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 29.099 24.326 -8.868 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 28.287 24.465 -9.355 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 29.288 25.175 -8.469 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 65.558 40.468 51.694 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 64.913 40.949 52.212 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 65.294 40.612 50.786 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 70.115 29.050 62.729 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 69.625 29.622 62.139 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 71.005 29.402 62.721 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 77.617 77.768 0.830 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 77.727 78.218 -0.008 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 78.150 78.273 1.444 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 38.658 96.182 56.391 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 38.961 95.925 55.520 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 37.808 95.752 56.486 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 30.281 14.465 54.536 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 30.091 14.343 53.605 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 31.227 14.606 54.570 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 88.255 9.674 48.923 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 88.898 9.260 48.347 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 88.709 10.438 49.279 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 49.328 44.823 -10.902 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 48.975 45.303 -10.153 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 50.206 44.559 -10.626 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 42.291 34.258 58.163 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 41.920 34.785 58.871 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 43.210 34.522 58.124 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 43.823 60.233 -19.001 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 44.407 60.646 -19.637 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 44.334 60.198 -18.193 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 25.928 39.458 -15.505 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 25.095 39.109 -15.188 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 26.244 40.011 -14.791 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 87.463 22.689 -7.078 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 87.116 21.837 -6.812 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 88.391 22.653 -6.846 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 23.299 61.450 64.119 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 23.372 61.114 65.012 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 23.106 60.678 63.587 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 58.646 51.661 -2.612 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 58.126 52.218 -2.033 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 59.553 51.910 -2.433 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 55.933 9.940 52.612 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 55.585 10.659 52.084 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 56.778 10.262 52.926 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 52.279 22.044 50.060 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 51.579 22.033 50.712 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 51.845 21.817 49.237 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 66.470 90.671 3.249 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 65.520 90.767 3.182 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 66.766 90.580 2.344 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 20.648 77.451 66.326 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 20.418 77.830 67.174 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 21.205 78.110 65.912 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 21.528 24.968 51.346 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 21.233 24.066 51.226 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 22.394 24.887 51.745 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 24.758 65.360 -15.499 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 25.696 65.529 -15.404 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 24.686 64.865 -16.316 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 44.489 34.337 4.066 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 43.827 34.402 4.754 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 45.181 33.799 4.448 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 79.427 60.044 24.920 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 79.127 60.930 25.126 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 78.690 59.643 24.460 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 41.495 38.479 52.352 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 41.028 39.307 52.236 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 42.409 38.690 52.163 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 31.087 87.231 65.305 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 31.634 87.988 65.514 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 31.498 86.845 64.531 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 61.387 63.450 53.153 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 60.898 63.427 53.975 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 61.038 62.718 52.645 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 68.643 61.266 12.029 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 68.566 60.461 12.541 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 68.270 61.944 12.592 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 88.980 81.080 -14.334 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 89.139 80.882 -13.411 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 88.543 81.931 -14.325 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 77.695 14.870 63.149 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 76.967 14.278 63.342 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 78.202 14.899 63.961 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 24.019 15.489 -14.244 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 24.542 16.275 -14.088 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 23.372 15.757 -14.896 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 39.269 35.006 53.170 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 39.069 34.096 52.951 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 39.622 35.375 52.361 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 66.498 32.904 46.230 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 66.815 32.087 45.847 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 65.759 33.158 45.677 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 40.638 19.175 58.794 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 41.188 19.432 58.054 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 40.506 18.234 58.680 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 30.927 19.479 56.886 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 31.878 19.397 56.960 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 30.794 20.253 56.339 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 29.317 63.082 -4.990 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 29.366 62.650 -4.137 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 28.629 62.610 -5.459 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 41.051 92.207 -8.040 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 40.885 92.500 -8.936 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 40.213 91.850 -7.746 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 89.575 18.119 -0.188 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 88.754 18.515 -0.482 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 89.306 17.334 0.288 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 47.911 24.436 34.539 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 47.437 25.234 34.308 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 48.676 24.743 35.026 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 86.945 93.202 -12.143 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 86.249 93.611 -12.658 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 87.756 93.518 -12.543 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 46.654 7.815 15.064 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 46.139 7.414 15.765 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 47.067 8.575 15.475 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 36.683 26.821 34.064 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 36.784 27.379 34.835 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 36.902 27.390 33.326 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 63.140 75.254 53.125 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 63.704 75.380 53.888 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 63.580 75.730 52.421 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 88.883 61.057 44.360 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 89.554 61.209 45.025 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 88.512 60.203 44.584 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 81.079 11.111 55.362 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 80.609 11.581 54.674 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 81.748 11.728 55.660 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 85.048 59.478 20.402 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 85.086 59.677 19.466 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 85.936 59.645 20.719 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 67.085 24.679 -3.435 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 66.624 25.402 -3.009 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 67.807 24.472 -2.842 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 23.415 23.309 49.409 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 23.999 22.552 49.461 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 23.966 24.054 49.648 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 27.009 69.402 34.255 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 27.905 69.534 33.945 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 26.458 69.740 33.549 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 59.430 17.829 49.012 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 60.151 17.524 48.461 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 59.483 18.784 48.970 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 25.558 56.986 36.618 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 24.816 56.590 36.162 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 25.866 57.672 36.025 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 57.470 16.591 36.523 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 58.313 17.046 36.512 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 56.908 17.114 35.951 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 89.206 64.724 -12.550 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 89.368 65.614 -12.237 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 88.525 64.824 -13.215 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 28.923 76.780 0.114 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 29.478 76.128 -0.314 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 28.392 76.276 0.731 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 84.080 11.325 56.863 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 84.119 12.262 56.675 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 84.987 11.078 57.044 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 20.974 79.539 -9.784 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 21.756 79.047 -10.034 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 20.811 79.284 -8.876 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 64.716 22.807 33.637 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 65.592 22.704 34.007 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 64.478 23.714 33.833 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 65.747 86.563 57.022 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 66.163 85.975 56.392 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 65.732 87.413 56.583 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 82.786 88.941 60.771 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 82.209 89.490 60.241 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 82.444 88.055 60.660 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 89.612 89.829 55.078 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 90.147 90.622 55.108 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 90.212 89.146 54.778 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 24.011 66.283 -2.413 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 23.112 66.303 -2.740 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 24.452 65.635 -2.963 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 37.292 20.561 -17.148 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 37.943 21.242 -16.981 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 37.576 19.821 -16.610 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 82.428 26.588 -4.058 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 81.885 25.939 -3.611 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 82.477 27.322 -3.446 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 54.752 37.385 7.139 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 55.234 38.035 7.649 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 54.050 37.094 7.722 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 22.066 7.222 -3.205 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 22.545 8.047 -3.123 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 21.153 7.484 -3.323 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 85.005 3.294 11.858 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 85.174 3.499 10.938 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 85.875 3.219 12.251 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 24.999 31.384 43.511 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 24.414 30.677 43.240 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 25.852 30.963 43.618 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 76.858 48.184 44.339 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 76.200 48.873 44.427 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 76.691 47.801 43.477 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 35.983 83.954 -16.695 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 36.737 84.194 -16.157 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 36.327 83.922 -17.588 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 73.028 10.119 57.213 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 72.279 10.286 57.785 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 73.777 10.068 57.807 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 71.577 56.566 -16.183 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 72.248 57.151 -16.533 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 72.045 56.014 -15.556 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 59.392 13.753 63.279 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 59.798 13.551 64.122 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 59.212 12.897 62.889 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 61.058 78.010 -14.691 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 61.675 77.821 -13.985 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 61.605 78.090 -15.473 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 85.913 68.623 40.233 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 86.149 68.088 39.476 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 85.432 68.028 40.808 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 57.552 53.084 2.480 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 58.032 53.850 2.794 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 56.636 53.274 2.685 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 69.244 41.078 20.801 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 68.436 41.494 21.104 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 69.489 41.571 20.018 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 64.952 88.999 -2.063 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 65.350 88.323 -2.611 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 64.951 88.624 -1.182 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 71.395 87.076 -0.190 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 71.308 87.759 -0.855 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 70.556 87.082 0.272 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 57.671 5.269 52.312 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 58.275 5.998 52.170 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 57.914 4.920 53.170 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 81.878 5.779 52.018 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 82.426 6.291 51.424 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 82.291 5.884 52.876 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 84.126 94.164 47.738 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 84.021 93.535 48.452 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 84.370 94.981 48.173 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 48.228 84.688 47.933 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 49.089 84.354 47.681 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 47.835 83.979 48.441 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 37.654 65.579 36.864 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 37.695 66.209 36.145 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 38.302 64.912 36.637 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 40.134 8.533 67.338 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 39.960 9.474 67.296 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 40.624 8.343 66.539 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 46.913 24.535 62.625 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 46.982 23.702 62.160 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 47.791 24.691 62.972 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 47.072 38.443 31.357 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 47.362 38.953 30.600 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 47.693 37.717 31.409 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 70.442 84.560 -0.774 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 70.933 84.216 -1.520 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 70.699 85.480 -0.722 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 64.640 50.222 -10.245 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 64.689 50.115 -9.295 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 64.987 51.100 -10.406 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 29.778 34.190 4.789 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 30.148 34.811 4.162 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 29.445 34.737 5.500 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 73.145 53.029 -2.515 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 73.113 53.982 -2.428 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 72.365 52.721 -2.054 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 68.500 26.202 46.729 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 69.415 26.162 46.449 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 68.126 26.925 46.226 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 86.655 16.425 61.269 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 85.702 16.514 61.279 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 86.831 15.667 61.827 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 54.613 85.277 62.713 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 54.270 84.644 62.082 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 53.893 85.416 63.328 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 74.499 71.899 44.004 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 75.445 72.046 43.979 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 74.296 71.500 43.158 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 75.363 33.923 -0.961 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 74.712 33.475 -0.422 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 74.867 34.593 -1.431 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 29.239 7.658 -6.701 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 28.449 7.485 -7.213 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 29.089 8.520 -6.314 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 43.589 19.852 48.491 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 42.822 20.228 48.059 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 44.253 19.808 47.803 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 37.035 92.522 15.098 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 37.496 93.361 15.134 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 37.442 92.056 14.367 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 31.742 33.798 -15.288 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 31.732 32.894 -15.604 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 30.885 33.919 -14.880 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 70.868 83.817 -13.853 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 70.538 83.635 -14.733 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 71.405 83.055 -13.636 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 28.559 70.125 14.757 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 28.610 70.538 15.619 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 29.470 69.945 14.523 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 74.635 23.899 61.528 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 75.499 24.290 61.661 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 74.736 22.991 61.813 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 37.043 32.564 44.997 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 36.442 33.239 45.312 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 37.819 32.656 45.550 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 36.811 29.365 48.036 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 36.263 29.777 47.368 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 37.398 28.790 47.545 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 75.549 61.011 20.161 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 75.946 60.339 19.607 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 74.638 61.055 19.869 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 41.399 5.113 65.184 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 41.788 4.666 64.433 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 41.594 6.039 65.039 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 37.185 25.832 63.267 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 36.505 25.963 63.927 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 37.237 24.882 63.160 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 37.337 94.376 23.744 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 37.066 93.761 24.426 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 36.520 94.639 23.320 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 56.800 36.644 -7.932 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 56.702 37.589 -7.821 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 57.608 36.430 -7.467 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 79.178 32.947 43.253 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 79.738 32.343 42.765 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 79.608 33.040 44.103 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 37.892 35.644 18.315 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 37.742 36.539 18.620 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 38.845 35.569 18.250 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 88.347 68.466 24.626 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 88.366 68.302 23.683 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 88.911 67.789 24.999 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 66.119 92.567 59.011 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 65.978 93.101 58.229 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 65.318 92.050 59.096 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 74.582 40.381 55.849 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 74.213 39.686 55.303 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 73.822 40.879 56.149 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 49.080 51.706 61.182 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 48.375 52.256 61.522 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 49.822 52.301 61.080 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 75.958 6.077 -9.097 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 76.671 6.568 -8.689 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 75.188 6.633 -8.983 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 43.090 95.938 -12.269 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 43.612 96.730 -12.141 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 42.204 96.189 -12.007 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 63.546 37.996 54.731 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 63.161 38.867 54.636 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 62.798 37.419 54.889 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 29.526 46.178 7.905 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 29.689 45.601 8.651 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 30.314 46.718 7.842 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 42.517 84.604 46.028 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 42.350 85.114 45.235 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 43.421 84.302 45.932 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 32.928 40.096 56.699 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 32.912 41.013 56.422 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 33.301 39.627 55.952 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 34.622 37.641 38.405 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 34.550 37.496 37.462 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 34.387 38.561 38.525 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 72.763 57.281 43.642 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 72.243 56.785 43.011 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 73.496 56.704 43.858 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 20.701 32.589 52.861 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 20.288 33.392 52.544 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 21.574 32.597 52.467 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 83.524 96.517 45.895 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 83.967 95.938 45.274 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 82.724 96.048 46.132 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 61.209 69.896 52.324 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 62.051 69.720 51.903 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 60.753 69.054 52.308 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 33.456 60.072 28.032 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 34.263 59.859 28.502 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 33.436 59.457 27.298 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 90.057 88.123 49.074 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 89.681 88.623 49.799 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 89.549 88.392 48.309 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 87.106 50.160 52.259 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 87.267 51.103 52.235 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 86.861 49.981 53.166 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 36.322 33.580 2.334 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 36.184 34.399 1.859 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 35.487 33.117 2.264 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 74.606 29.980 56.088 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 74.581 30.266 55.175 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 75.227 29.251 56.094 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 26.463 26.856 -16.657 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 26.601 27.796 -16.776 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 26.852 26.663 -15.803 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 89.144 61.776 56.858 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 90.068 61.529 56.821 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 89.148 62.671 57.197 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 34.933 4.931 -16.408 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 34.799 4.250 -17.067 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 34.319 4.711 -15.708 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 61.081 44.353 43.701 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 60.534 45.101 43.461 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 61.479 44.605 44.535 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 86.669 21.854 52.051 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 87.346 22.102 52.681 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 86.104 21.250 52.531 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 60.076 2.456 26.924 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 59.621 1.666 27.216 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 60.329 2.267 26.021 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 30.683 20.249 1.557 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 30.362 21.073 1.925 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 31.540 20.467 1.192 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 78.847 40.949 48.222 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 78.983 41.056 49.163 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 79.082 41.798 47.848 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 68.856 23.535 -11.864 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 68.275 24.167 -12.286 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 69.712 23.963 -11.855 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 22.522 56.957 7.840 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 22.122 56.707 8.673 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 23.464 56.929 8.007 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 36.510 73.368 18.598 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 36.388 72.482 18.937 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 37.310 73.680 19.021 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 74.978 82.000 -6.549 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 74.322 82.650 -6.801 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 74.769 81.788 -5.639 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 78.974 29.936 64.956 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 78.267 29.448 64.534 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 79.161 30.657 64.355 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 87.906 47.989 -16.128 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 88.732 47.522 -15.997 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 87.249 47.298 -16.203 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 58.025 19.772 62.906 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 57.967 20.393 63.632 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 57.671 18.956 63.260 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 69.032 23.969 10.932 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 69.460 23.565 11.687 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 69.679 23.910 10.229 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 43.750 47.645 65.953 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 43.045 48.288 65.879 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 44.509 48.154 66.239 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 72.768 9.394 6.073 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 72.394 9.399 6.954 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 73.141 8.518 5.976 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 25.128 49.748 -14.389 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 25.920 50.236 -14.612 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 24.411 50.351 -14.589 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 77.058 76.048 -16.623 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 76.131 76.036 -16.387 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 77.325 76.960 -16.504 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 72.344 37.340 62.732 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 71.753 38.075 62.573 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 72.167 36.730 62.016 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 29.286 89.656 12.377 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 30.062 90.133 12.672 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 28.759 89.543 13.168 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 68.445 63.685 47.770 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 68.804 63.576 46.889 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 67.532 63.935 47.627 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 78.766 68.335 31.459 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 78.447 67.899 32.249 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 78.131 68.100 30.782 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 58.995 68.488 31.529 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 58.744 67.824 30.887 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 58.368 68.379 32.245 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 86.452 9.492 -11.357 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 85.939 8.697 -11.503 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 87.092 9.245 -10.689 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 39.546 40.663 61.141 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 40.031 40.848 60.337 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 40.222 40.470 61.790 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 49.969 49.052 65.371 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 49.997 49.928 64.985 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 49.056 48.780 65.284 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 58.590 9.258 35.439 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 58.456 9.858 36.173 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 58.727 9.829 34.684 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 54.867 79.843 38.606 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 54.256 79.141 38.833 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 54.667 80.050 37.693 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 37.410 42.675 -16.250 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 37.194 43.138 -17.059 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 37.154 43.278 -15.552 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 89.471 42.020 48.235 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 89.335 41.229 48.758 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 88.781 42.618 48.522 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 59.925 88.396 30.976 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 60.446 88.729 30.246 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 60.220 88.903 31.732 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 59.668 75.197 61.923 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 59.086 74.442 61.831 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 60.451 74.959 61.428 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 21.045 86.135 43.242 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 21.366 86.937 42.829 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 21.564 86.054 44.042 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 70.676 8.007 38.530 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 70.940 7.347 37.889 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 71.404 8.628 38.549 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 27.608 58.842 -17.530 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 28.095 58.850 -16.706 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 27.177 57.987 -17.547 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 65.146 87.318 23.446 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 64.225 87.199 23.677 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 65.401 88.130 23.885 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 70.080 51.998 28.083 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 69.792 51.360 28.735 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 69.584 51.777 27.295 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 54.663 64.408 63.307 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 54.283 63.561 63.539 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 54.010 65.049 63.588 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 80.599 47.635 57.859 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 80.797 48.524 58.154 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 79.882 47.349 58.424 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 74.135 53.288 -8.467 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 74.723 53.587 -7.774 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 73.258 53.495 -8.143 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 33.780 6.798 33.371 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 33.457 7.427 32.725 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 33.158 6.857 34.096 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 77.059 49.460 -17.599 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 77.226 49.898 -16.764 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 76.918 48.543 -17.364 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 89.331 9.539 65.221 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 89.527 9.563 66.157 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 90.167 9.732 64.796 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 23.975 26.406 2.115 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 23.607 27.091 2.673 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 24.765 26.798 1.742 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 72.301 59.516 39.719 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 71.713 58.946 40.216 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 71.737 59.931 39.066 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 38.984 73.649 57.080 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 38.690 72.864 57.543 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 39.863 73.429 56.771 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 32.493 43.118 50.568 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 33.003 43.695 51.137 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 32.797 42.237 50.787 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 77.881 48.077 65.293 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 77.294 48.218 64.550 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 77.513 48.613 65.995 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 45.305 0.356 21.481 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 44.705 -0.359 21.267 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 44.879 1.139 21.132 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 79.646 5.351 59.988 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 80.413 5.431 60.554 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 80.001 5.091 59.138 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 86.644 69.185 59.688 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 87.066 69.959 59.315 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 86.211 69.506 60.480 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 45.023 64.488 56.590 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 45.867 64.391 56.150 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 45.144 65.231 57.181 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 30.195 94.888 45.781 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 30.052 95.761 46.147 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 31.098 94.675 46.014 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 72.849 84.209 41.779 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 72.739 84.849 42.483 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 73.760 83.926 41.853 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 72.346 36.792 59.607 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 71.812 37.552 59.377 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 72.830 36.587 58.806 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 61.245 58.774 -17.723 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 60.887 59.012 -16.868 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 61.212 59.585 -18.231 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 41.383 68.311 15.916 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 41.534 67.858 16.745 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 40.900 67.680 15.382 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 63.465 47.869 -18.032 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 64.287 48.162 -17.640 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 63.114 47.235 -17.407 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 61.156 20.664 64.688 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 60.960 20.963 65.576 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 61.272 19.718 64.774 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 66.715 51.545 -12.918 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 67.145 51.247 -13.720 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 65.782 51.406 -13.081 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 76.101 78.402 47.176 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 76.869 78.611 46.645 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 75.360 78.515 46.581 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 40.470 41.011 14.743 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 40.927 40.230 15.056 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 41.109 41.456 14.187 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 67.905 26.235 57.457 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 68.680 25.980 57.957 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 68.085 25.936 56.565 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 25.335 86.282 28.542 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 25.327 85.722 29.318 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 24.443 86.623 28.482 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 26.035 57.969 43.816 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 25.443 57.686 43.119 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 26.767 58.381 43.357 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 73.022 56.462 5.134 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 72.448 56.244 5.869 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 73.609 57.134 5.479 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 59.102 0.182 35.829 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 59.361 1.098 35.927 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 59.540 -0.270 36.550 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 74.031 60.426 61.609 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 73.682 60.937 60.879 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 73.288 59.906 61.915 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 72.157 9.633 -7.557 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 71.305 9.835 -7.945 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 71.949 9.268 -6.697 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 86.291 66.651 19.735 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 85.881 65.917 19.277 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 87.228 66.540 19.576 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 36.321 23.240 8.669 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 35.666 23.829 9.043 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 36.638 23.698 7.890 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 87.633 24.050 40.280 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 87.788 24.976 40.094 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 88.275 23.830 40.955 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 30.620 21.153 37.372 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 29.891 21.734 37.156 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 30.393 20.320 36.959 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 54.853 19.023 6.865 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 54.625 18.122 6.633 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 55.765 19.117 6.589 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 37.801 59.846 65.737 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 37.615 58.937 65.969 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 38.402 60.149 66.418 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 32.289 67.933 24.173 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 33.223 67.732 24.226 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 31.861 67.078 24.138 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 46.298 14.579 56.181 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 46.713 14.230 55.392 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 46.643 15.468 56.260 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 59.181 19.371 -12.355 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 59.525 19.715 -13.179 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 59.900 19.474 -11.732 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 84.163 23.707 2.496 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 83.707 24.229 3.156 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 84.219 24.282 1.733 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 64.977 11.750 -14.902 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 65.877 11.778 -15.224 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 64.962 12.374 -14.176 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 74.024 21.796 46.393 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 73.284 22.381 46.232 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 74.686 22.065 45.755 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 59.882 80.188 -7.179 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 59.995 79.314 -6.805 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 59.553 80.718 -6.453 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 41.524 50.161 16.771 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 42.344 50.503 16.415 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 41.692 50.062 17.708 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 64.700 3.474 58.472 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 64.467 4.151 59.108 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 65.415 3.858 57.964 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 37.844 25.352 43.045 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 38.024 26.291 43.087 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 37.130 25.273 42.413 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 24.064 62.629 10.782 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 24.792 62.580 11.402 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 23.569 63.401 11.053 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 75.397 84.359 36.143 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 74.876 83.674 36.561 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 74.756 85.015 35.869 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 24.360 95.657 -17.789 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 24.334 94.808 -18.231 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 24.319 96.298 -18.499 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 80.620 83.122 -4.701 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 81.563 83.285 -4.725 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 80.459 82.772 -3.825 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 88.883 46.170 42.769 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 88.412 46.988 42.928 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 89.271 45.949 43.616 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 89.704 72.213 -5.382 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 90.291 72.932 -5.148 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 90.285 71.468 -5.534 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 66.691 19.818 9.879 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 67.468 19.514 10.348 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 66.404 20.590 10.366 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 82.959 59.144 -10.262 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 82.855 58.313 -9.797 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 82.470 59.776 -9.735 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 43.289 45.359 13.810 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 43.669 45.939 14.471 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 42.929 44.628 14.311 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 42.854 73.379 13.821 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 42.992 72.446 13.986 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 43.726 73.720 13.623 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 20.906 6.506 49.303 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 20.919 6.068 48.452 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 21.156 7.410 49.111 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 62.716 14.222 57.631 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 63.380 14.248 58.320 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 63.049 13.581 57.002 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 79.145 65.018 30.641 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 78.865 65.558 29.902 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 78.357 64.539 30.900 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 30.491 54.923 16.714 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 30.575 54.291 16.000 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 31.365 55.302 16.804 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 20.243 66.183 40.135 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 20.701 65.444 40.537 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 20.652 66.279 39.275 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 41.829 16.895 12.013 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 41.813 16.069 11.530 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 42.355 16.708 12.791 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 62.260 40.405 41.228 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 62.554 40.415 40.317 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 61.870 39.539 41.345 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 38.398 10.556 43.732 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 38.775 11.233 43.171 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 38.312 10.973 44.589 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 29.077 68.399 43.416 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 28.894 69.202 42.928 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 29.788 67.981 42.930 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 21.040 96.077 30.874 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 20.794 95.409 31.515 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 20.802 95.697 30.028 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 80.533 45.745 45.619 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 79.928 45.325 46.231 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 80.020 46.444 45.216 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 22.777 67.848 43.964 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 22.218 68.176 44.668 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 23.559 67.524 44.410 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 66.054 1.476 10.632 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 65.298 1.460 10.045 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 66.577 0.718 10.372 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 44.149 76.759 -11.928 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 44.889 76.911 -12.516 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 44.435 76.041 -11.363 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 82.247 23.483 39.363 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 83.035 23.840 39.773 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 81.606 23.438 40.073 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 47.004 43.081 3.808 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 47.170 43.292 4.727 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 46.567 42.230 3.832 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 67.498 22.636 -9.415 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 67.960 22.781 -8.589 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 68.006 23.124 -10.063 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 67.241 10.567 46.370 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 67.592 9.677 46.378 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 66.526 10.537 45.736 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 82.838 18.113 46.261 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 83.178 18.997 46.402 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 83.619 17.569 46.160 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 25.458 65.282 -12.111 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 25.858 65.893 -12.730 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 25.972 64.479 -12.200 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 68.555 39.991 53.165 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 67.978 39.262 53.395 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 68.470 40.073 52.215 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 44.058 79.852 -8.315 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 43.707 79.598 -7.461 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 43.856 79.111 -8.887 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 58.253 26.068 20.187 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 58.320 26.411 21.078 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 57.426 26.417 19.856 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 61.734 91.706 29.358 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 62.066 92.092 28.548 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 61.547 92.456 29.923 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 22.576 69.010 9.086 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 23.397 69.048 9.575 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 21.994 69.616 9.545 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 45.163 15.391 21.060 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 44.739 15.821 20.317 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 45.673 16.083 21.480 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 46.115 50.855 63.179 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 45.228 50.714 62.849 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 46.537 50.000 63.106 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 62.988 8.797 -6.035 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 63.126 9.335 -5.256 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 62.161 8.345 -5.872 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 64.846 31.566 25.321 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 64.682 31.534 24.379 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 65.797 31.496 25.402 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 69.720 36.030 28.495 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 70.107 36.435 29.271 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 69.773 36.705 27.819 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 32.017 59.876 -2.466 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 32.490 60.643 -2.144 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 31.777 59.393 -1.675 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 58.639 34.407 26.298 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 58.199 34.393 25.448 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 59.021 35.283 26.355 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 77.901 68.232 15.926 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 77.730 67.373 15.539 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 77.160 68.772 15.651 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 50.092 13.664 29.465 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 50.463 13.183 30.204 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 50.588 14.482 29.437 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 51.213 32.373 -16.809 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 50.790 32.949 -16.173 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 51.501 31.619 -16.296 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 37.390 44.373 38.579 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 37.697 45.190 38.186 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 37.229 44.594 39.496 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 75.664 25.851 13.584 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 75.025 26.055 14.267 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 76.197 26.643 13.511 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 51.004 29.637 5.629 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 50.638 29.637 6.514 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 51.828 30.116 5.711 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 86.429 31.234 21.321 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 86.946 30.665 21.893 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 86.808 32.105 21.444 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 88.579 31.249 33.523 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 89.386 31.392 33.029 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 88.856 31.241 34.439 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 78.658 64.840 -13.542 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 79.273 65.285 -12.959 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 79.189 64.573 -14.293 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 60.874 59.610 55.301 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 60.505 59.248 54.495 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 61.763 59.872 55.061 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 71.287 10.083 59.283 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 70.849 9.244 59.430 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 70.592 10.667 58.980 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 28.845 92.922 57.878 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 29.441 92.862 57.131 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 29.009 93.790 58.247 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 23.876 89.732 14.188 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 23.238 89.311 14.765 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 24.722 89.568 14.605 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 73.849 86.045 -6.300 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 73.676 86.908 -6.676 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 73.010 85.770 -5.931 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 52.496 49.395 56.050 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 53.309 49.662 55.620 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 51.936 50.170 56.006 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 26.754 30.947 30.052 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 27.079 31.779 30.397 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 27.441 30.652 29.454 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 32.182 85.869 57.862 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 32.011 85.004 58.235 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 32.869 86.239 58.416 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 85.206 92.225 -8.375 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 84.269 92.111 -8.533 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 85.347 91.872 -7.497 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 30.550 88.822 10.036 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 30.091 88.989 10.859 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 31.460 89.057 10.218 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 83.326 68.635 3.353 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 84.219 68.792 3.660 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 83.151 67.722 3.579 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 41.431 60.049 -9.602 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 41.640 60.832 -9.092 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 41.237 59.379 -8.946 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 50.581 42.832 42.473 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 50.585 41.925 42.167 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 51.484 43.128 42.357 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 37.528 43.446 62.789 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 38.126 43.121 63.463 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 36.687 43.040 62.999 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 35.641 34.948 10.017 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 34.725 35.194 9.886 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 35.971 35.582 10.654 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 81.039 6.712 63.000 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 80.580 5.885 62.853 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 81.913 6.454 63.291 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 25.723 33.169 35.389 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 25.722 34.060 35.739 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 24.904 33.103 34.898 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 44.189 1.368 44.910 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 44.894 1.959 44.645 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 43.893 0.966 44.094 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 66.774 23.166 50.060 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 66.776 23.653 49.235 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 66.197 22.420 49.897 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 58.053 30.857 61.049 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 57.490 30.091 61.159 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 58.712 30.582 60.412 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 34.454 16.899 31.942 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 35.075 17.436 31.451 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 33.717 16.776 31.343 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 22.748 48.337 53.340 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 22.568 48.579 52.431 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 22.483 49.103 53.849 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 54.539 34.755 -7.385 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 55.414 35.136 -7.448 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 54.693 33.821 -7.243 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 40.392 22.904 60.583 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 40.694 23.183 61.448 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 40.206 21.970 60.684 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 27.396 43.325 55.702 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 27.358 44.069 55.100 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 26.506 43.250 56.045 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 58.329 91.721 8.293 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 57.911 91.152 8.939 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 58.286 91.227 7.474 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 70.112 90.618 36.906 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 70.039 89.799 36.415 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 69.705 91.274 36.340 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 65.934 47.578 2.774 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 65.426 48.107 3.389 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 65.795 46.676 3.062 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 49.890 4.675 58.972 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 49.471 4.705 59.832 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 50.229 5.560 58.839 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 38.739 84.782 -0.128 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 38.361 85.605 0.181 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 38.754 84.867 -1.082 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 42.450 26.310 -4.294 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 43.044 25.560 -4.274 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 43.025 27.070 -4.389 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 30.615 92.058 41.093 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 30.016 92.790 41.243 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 30.301 91.367 41.676 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 72.678 70.743 -13.634 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 72.122 71.477 -13.895 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 73.191 71.080 -12.900 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 28.159 74.543 2.970 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 28.907 74.126 2.541 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 28.546 75.066 3.672 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 34.654 24.713 33.976 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 34.468 24.724 34.915 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 35.468 25.208 33.887 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 69.854 35.680 51.521 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 70.587 36.178 51.158 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 69.076 36.083 51.136 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 79.566 12.076 -2.695 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 79.851 12.396 -1.839 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 79.100 12.815 -3.085 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 54.081 2.709 30.021 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 53.902 3.326 29.311 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 53.458 2.946 30.707 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 83.581 70.758 59.448 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 83.565 71.489 58.830 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 83.578 69.977 58.895 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 37.898 40.333 16.078 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 37.971 39.460 15.691 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 38.685 40.792 15.785 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 56.072 24.487 23.128 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 56.094 25.262 22.567 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 55.244 24.559 23.604 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 66.330 68.852 -12.252 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 65.677 69.038 -11.577 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 65.847 68.912 -13.076 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 83.420 86.637 14.334 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 82.608 86.136 14.253 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 83.847 86.277 15.112 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 57.583 20.819 -2.719 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 56.845 21.311 -3.080 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 57.887 21.349 -1.982 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 68.682 13.753 -7.601 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 69.537 14.149 -7.768 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 68.053 14.379 -7.959 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 64.789 40.562 57.055 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 64.218 40.151 56.405 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 65.236 39.829 57.478 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 59.063 47.729 -12.966 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 59.522 48.251 -12.308 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 58.331 47.334 -12.491 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 64.450 90.804 40.122 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 65.267 90.763 39.625 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 63.820 91.193 39.516 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 69.247 51.092 -18.253 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 69.274 50.755 -17.358 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 69.754 51.903 -18.220 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 47.036 38.528 44.919 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 47.594 38.259 45.649 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 46.607 39.326 45.227 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 51.010 10.426 9.230 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 50.866 11.062 9.931 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 50.130 10.162 8.962 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 34.802 35.027 -3.049 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 35.459 34.330 -3.037 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 35.309 35.833 -3.148 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 60.615 68.207 -5.074 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 59.696 67.943 -5.026 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 61.105 67.409 -4.879 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 78.060 32.842 27.067 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 77.324 32.702 26.470 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 78.013 33.772 27.291 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 31.760 73.427 57.267 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 31.542 73.607 56.353 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 32.514 72.838 57.222 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 58.207 49.253 47.620 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 57.401 48.850 47.298 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 58.567 48.613 48.233 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 70.570 17.174 52.952 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 71.484 17.449 53.020 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 70.519 16.377 53.478 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 59.169 62.623 -4.736 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 60.086 62.581 -5.005 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 59.201 62.870 -3.811 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 29.928 65.293 1.261 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 30.880 65.224 1.324 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 29.766 65.586 0.364 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 41.807 0.850 53.924 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 41.603 1.710 54.291 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 41.748 0.973 52.976 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 87.733 88.973 7.582 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 87.811 88.029 7.445 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 87.944 89.100 8.507 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 23.770 19.653 -0.804 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 23.101 19.910 -0.169 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 24.504 19.349 -0.270 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 66.627 24.767 36.244 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 67.088 24.466 35.461 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 67.147 24.428 36.973 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 73.646 95.588 39.517 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 73.582 96.346 40.097 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 72.739 95.377 39.296 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 74.483 68.910 -7.855 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 73.798 68.913 -8.523 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 74.181 68.276 -7.204 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 72.431 60.675 15.917 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 71.988 61.135 15.204 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 72.634 59.812 15.556 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 70.491 79.056 14.856 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 70.667 78.140 14.641 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 69.537 79.129 14.835 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 71.842 84.444 66.919 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 72.352 84.868 66.229 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 71.762 85.110 67.601 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 68.911 78.496 20.510 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 68.702 77.572 20.646 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 69.403 78.512 19.689 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 69.257 82.176 13.592 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 69.202 82.070 14.542 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 68.351 82.113 13.291 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 44.331 37.027 10.475 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 43.924 36.581 11.218 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 45.178 37.324 10.808 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 30.828 27.777 2.419 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 31.179 27.729 1.530 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 30.043 27.230 2.397 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 73.146 31.765 58.735 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 73.445 30.872 58.912 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 72.891 31.753 57.813 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 83.063 21.512 32.978 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 83.955 21.854 32.915 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 82.740 21.519 32.077 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 40.160 25.268 -11.301 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 40.755 26.002 -11.148 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 40.705 24.601 -11.720 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 59.861 57.091 -0.108 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 59.768 58.022 -0.311 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 58.993 56.823 0.193 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 56.997 17.934 34.083 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 57.008 17.433 33.267 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 56.372 18.640 33.923 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 72.697 45.809 0.745 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 72.369 46.222 1.544 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 73.448 46.345 0.489 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 77.622 22.438 -4.302 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 77.978 22.337 -3.420 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 77.163 23.278 -4.281 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 39.753 24.050 3.950 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 40.411 24.380 3.337 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 40.238 23.894 4.760 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 63.359 28.254 -11.719 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 64.274 27.972 -11.708 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 63.374 29.097 -12.172 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 82.376 77.969 24.029 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 82.746 77.972 24.912 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 81.860 77.164 23.987 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 37.565 79.541 59.251 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 37.189 78.914 58.633 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 37.776 80.307 58.718 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 37.321 80.746 30.930 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 37.991 80.627 31.603 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 36.632 80.124 31.165 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 24.241 16.871 52.527 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 23.740 16.113 52.828 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 25.157 16.610 52.630 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 51.290 95.482 62.670 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 52.077 95.675 62.160 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 51.014 96.330 63.017 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 61.049 19.378 -10.591 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 61.828 18.823 -10.549 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 60.862 19.597 -9.678 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 68.211 61.437 27.078 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 67.671 62.196 26.858 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 67.623 60.688 26.982 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 81.784 51.915 29.777 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 82.108 52.399 30.536 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 80.834 51.892 29.895 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 60.171 42.757 49.032 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 60.950 43.266 48.809 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 60.151 42.758 49.989 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 20.379 7.487 34.279 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 20.168 8.420 34.307 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 21.318 7.459 34.096 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 77.081 12.919 66.834 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 76.770 12.461 66.054 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 77.515 12.243 67.353 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 30.892 65.064 47.992 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 31.403 64.663 48.695 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 31.547 65.416 47.390 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 28.941 1.129 64.619 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 29.473 1.506 65.320 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 28.678 0.272 64.952 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 42.254 16.824 21.749 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 42.246 17.209 20.873 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 42.820 17.403 22.260 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 35.219 94.445 53.545 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 35.295 93.898 54.326 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 36.122 94.678 53.327 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 48.394 28.909 45.187 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 48.911 29.350 44.513 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 48.074 29.617 45.746 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 81.310 13.386 65.858 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 80.870 12.567 66.086 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 81.973 13.499 66.539 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 29.044 24.522 50.699 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 28.278 23.968 50.549 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 28.744 25.183 51.323 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 83.500 5.752 64.051 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 82.978 5.409 64.776 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 84.387 5.820 64.404 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 59.536 53.463 -4.765 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 58.965 52.808 -4.363 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 59.010 54.262 -4.781 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 43.506 64.456 -12.801 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 42.822 64.263 -12.159 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 43.368 65.375 -13.029 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 70.966 20.733 -0.541 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 71.452 20.986 -1.326 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 71.452 21.132 0.180 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 50.713 15.674 -2.480 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 50.260 16.513 -2.396 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 51.500 15.772 -1.944 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 49.631 51.112 45.868 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 50.309 50.680 45.348 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 49.705 52.038 45.639 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 83.926 4.376 -2.010 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 84.494 4.649 -1.290 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 84.247 4.866 -2.768 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 65.777 92.276 -9.536 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 65.395 92.858 -10.194 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 66.110 92.866 -8.860 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 70.316 55.831 -6.948 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 70.952 56.350 -7.441 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 69.780 56.480 -6.492 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 88.628 58.709 -3.788 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 89.276 58.016 -3.912 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 88.941 59.431 -4.334 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 48.435 44.960 -3.993 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 47.617 45.456 -3.961 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 49.040 45.525 -4.474 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 54.977 46.851 1.340 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 55.780 47.048 1.823 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 54.568 46.141 1.834 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 40.645 39.700 -19.688 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 40.301 40.439 -19.186 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 39.880 39.152 -19.863 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 42.665 38.336 39.708 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 43.442 38.391 39.152 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 42.774 39.045 40.342 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 32.879 81.737 39.239 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 33.526 81.035 39.303 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 32.396 81.694 40.065 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 52.495 12.581 -11.628 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 51.909 12.884 -10.935 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 52.062 12.841 -12.441 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 53.996 96.580 41.395 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 53.725 97.116 40.650 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 53.690 95.699 41.181 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 53.246 10.234 -12.837 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 52.953 11.013 -12.364 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 54.139 10.441 -13.111 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 74.543 39.589 23.731 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 74.135 40.397 23.420 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 74.364 38.949 23.042 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 79.721 40.600 56.544 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 80.389 41.243 56.304 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 78.908 41.103 56.585 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 78.528 71.213 0.178 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 78.625 70.500 0.810 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 77.668 71.587 0.369 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 35.948 56.056 -12.140 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 36.064 56.926 -11.759 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 35.786 55.485 -11.389 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 76.571 46.708 -12.295 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 76.272 47.174 -11.515 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 77.525 46.780 -12.267 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 58.399 23.260 24.122 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 57.579 23.677 23.858 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 59.044 23.967 24.104 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 21.923 88.231 55.485 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 22.013 88.779 56.264 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 22.702 87.675 55.490 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 75.911 54.588 62.409 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 75.430 54.081 61.755 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 75.321 55.305 62.640 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 71.574 83.706 7.562 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 70.780 83.200 7.737 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 72.040 83.719 8.398 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 67.438 58.738 -16.535 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 68.136 58.189 -16.893 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 66.732 58.126 -16.331 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 60.861 42.464 55.805 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 60.130 42.324 56.406 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 60.959 43.416 55.764 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 22.769 9.977 40.073 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 22.730 9.066 39.783 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 23.495 10.355 39.577 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 49.773 15.191 40.472 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 49.538 15.954 41.000 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 49.980 14.511 41.113 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 42.184 80.463 24.498 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 42.097 79.536 24.723 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 43.016 80.728 24.892 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 33.580 2.069 40.751 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 34.256 2.738 40.857 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 33.114 2.322 39.954 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 33.038 7.107 54.917 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 33.544 7.867 55.205 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 32.676 7.367 54.070 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 67.534 35.139 60.566 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 66.897 35.191 61.279 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 67.757 36.051 60.376 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 34.136 25.804 36.642 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 34.488 25.578 37.503 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 33.188 25.728 36.743 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 73.251 50.842 63.902 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 72.363 51.010 64.217 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 73.128 50.449 63.038 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 21.044 62.796 -11.511 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 21.669 63.491 -11.716 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 20.264 63.017 -12.019 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 78.984 22.025 13.251 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 79.182 21.504 14.030 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 78.482 22.769 13.583 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 48.521 25.257 31.576 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 49.451 25.450 31.692 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 48.497 24.593 30.887 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 53.409 25.252 39.007 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 52.828 25.958 39.291 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 54.278 25.524 39.301 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 26.171 61.050 24.086 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 25.857 60.233 23.698 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 27.088 60.876 24.302 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 53.757 51.558 -18.434 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 54.172 51.339 -17.599 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 53.029 50.941 -18.508 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 77.732 88.636 35.469 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 78.154 89.467 35.250 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 76.815 88.865 35.620 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 72.416 69.278 46.253 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 72.641 68.749 45.489 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 73.218 69.758 46.458 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 86.374 35.684 39.536 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 87.119 35.422 38.995 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 86.129 36.548 39.205 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 67.966 6.824 18.707 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 67.711 7.704 18.427 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 67.150 6.422 19.006 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 29.470 14.714 24.934 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 28.919 14.991 24.203 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 30.335 15.069 24.731 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 75.967 87.421 4.511 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 76.905 87.521 4.675 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 75.725 88.203 4.015 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 71.586 64.736 1.694 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 70.804 64.434 1.234 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 71.396 64.579 2.619 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 73.095 43.546 57.620 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 73.536 44.184 57.059 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 72.446 44.058 58.102 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 82.537 17.814 58.615 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 82.773 16.893 58.724 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 83.358 18.246 58.378 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 88.573 29.616 41.695 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 88.206 29.475 42.568 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 87.825 29.530 41.104 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 81.659 45.528 52.448 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 81.610 46.351 51.961 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 81.543 45.784 53.363 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 67.857 41.295 47.659 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 68.499 40.938 47.045 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 67.012 41.146 47.235 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 50.910 18.983 58.266 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 50.011 19.299 58.176 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 50.868 18.337 58.971 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 79.500 21.004 41.146 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 79.888 20.528 41.880 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 79.643 21.927 41.357 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 61.323 49.302 54.615 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 61.598 50.191 54.838 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 62.101 48.765 54.763 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 29.211 31.255 53.056 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 28.699 32.001 53.367 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 30.027 31.640 52.737 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 68.714 24.980 40.577 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 69.625 24.886 40.857 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 68.212 24.990 41.392 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 26.912 37.752 19.718 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 27.017 38.609 19.305 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 26.187 37.344 19.244 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 72.947 56.641 -9.151 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 72.655 55.814 -9.535 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 73.738 56.413 -8.662 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 88.521 70.709 33.714 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 89.449 70.900 33.577 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 88.082 71.090 32.953 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 85.969 13.157 -15.211 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 85.030 13.335 -15.145 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 86.386 13.906 -14.785 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 29.283 40.485 37.321 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 29.284 40.624 38.268 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 28.390 40.203 37.121 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 34.614 47.238 66.057 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 34.962 47.183 65.167 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 33.858 47.820 65.983 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 58.649 61.018 48.430 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 59.410 60.932 47.857 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 58.384 60.117 48.614 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 86.603 52.705 -1.752 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 86.245 52.491 -2.614 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 86.135 52.129 -1.148 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 64.814 58.506 49.443 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 65.463 58.461 48.741 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 64.693 57.597 49.718 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 69.717 85.535 -11.683 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 69.777 85.210 -12.581 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 68.797 85.421 -11.447 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 33.157 60.303 -17.089 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 33.847 60.572 -16.483 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 33.623 60.040 -17.882 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 50.603 36.400 -18.768 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 51.172 35.783 -18.306 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 49.833 35.884 -19.006 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 21.565 44.995 41.740 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 21.140 45.818 41.983 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 20.859 44.458 41.380 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 38.105 94.119 -4.958 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 37.154 94.181 -4.866 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 38.311 94.685 -5.702 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 39.509 32.699 -2.339 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 38.588 32.437 -2.312 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 39.992 31.873 -2.382 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 23.154 9.592 43.166 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 22.392 9.920 42.689 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 23.330 8.735 42.778 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 80.720 29.156 57.641 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 80.828 29.836 56.976 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 79.806 29.233 57.916 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 67.156 3.202 -3.564 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 67.775 3.919 -3.707 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 67.573 2.441 -3.967 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 26.473 78.726 5.444 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 25.711 78.354 5.000 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 26.959 79.173 4.752 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 71.072 36.456 19.914 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 71.700 36.758 19.258 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 70.479 37.197 20.038 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 28.574 51.838 44.519 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 29.496 52.096 44.506 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 28.143 52.462 43.934 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 73.004 2.006 52.722 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 72.327 2.580 53.079 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 73.301 2.451 51.927 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 37.325 66.856 5.355 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 37.336 66.968 4.404 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 37.359 65.909 5.485 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 46.728 7.134 44.808 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 47.519 7.005 45.332 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 47.050 7.417 43.952 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 77.629 40.986 -19.127 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 77.421 41.082 -20.056 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 78.000 41.832 -18.875 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 53.165 93.775 56.833 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 53.927 93.815 56.255 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 52.507 94.319 56.400 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 38.246 29.002 20.574 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 37.733 28.241 20.845 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 37.621 29.727 20.583 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 63.526 44.253 -6.193 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 63.778 44.681 -5.376 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 64.302 44.320 -6.749 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 57.972 79.611 41.366 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 57.695 79.313 40.500 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 57.854 78.848 41.931 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 67.620 53.080 30.647 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 67.867 52.811 29.762 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 66.677 52.922 30.692 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 68.142 56.992 19.608 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 67.772 56.878 20.484 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 67.740 56.297 19.086 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 72.109 7.287 49.151 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 71.894 8.016 49.733 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 71.357 6.698 49.217 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 24.242 38.382 21.782 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 25.179 38.466 21.607 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 23.838 39.083 21.270 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 62.917 90.107 51.281 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 62.204 89.708 50.783 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 63.639 89.482 51.209 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 45.634 36.592 -13.530 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 45.816 35.764 -13.085 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 45.202 37.131 -12.867 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 85.929 68.088 66.520 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 85.047 67.947 66.863 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 86.056 69.035 66.565 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 77.317 54.665 26.195 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 76.500 55.152 26.088 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 77.114 53.785 25.878 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 72.033 19.474 38.777 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 72.721 19.106 39.332 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 72.416 20.274 38.418 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 22.783 2.359 31.367 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 22.224 1.603 31.186 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 22.185 3.023 31.709 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 50.787 37.196 57.890 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 51.386 36.535 57.542 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 50.722 37.851 57.195 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 45.530 35.509 21.230 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 46.432 35.269 21.018 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 45.614 36.193 21.895 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 40.157 60.340 44.606 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 41.045 60.010 44.466 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 40.031 60.992 43.917 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 65.545 48.739 33.466 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 65.410 49.585 33.038 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 64.972 48.136 32.992 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 25.437 47.032 -15.165 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 26.316 46.948 -15.533 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 25.437 47.887 -14.735 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 83.377 7.362 1.257 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 83.415 8.173 0.751 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 84.104 6.836 0.922 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 35.575 50.234 -18.325 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 35.945 50.948 -17.806 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 35.993 49.445 -17.979 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 72.559 52.206 -18.675 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 71.837 52.700 -19.062 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 73.021 52.843 -18.129 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 53.231 65.098 -13.297 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 52.787 65.236 -12.460 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 52.523 64.933 -13.919 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 26.581 92.310 28.867 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 25.859 91.689 28.960 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 26.316 93.066 29.391 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 70.217 68.532 56.628 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 69.512 68.085 57.096 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 69.782 69.252 56.170 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 52.117 91.338 25.103 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 52.661 90.586 25.339 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 52.214 91.943 25.837 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 81.289 92.986 62.494 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 81.631 92.124 62.254 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 80.371 92.964 62.225 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 33.868 29.952 -14.197 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 33.448 30.653 -13.699 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 33.908 29.215 -13.587 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 84.169 24.593 43.622 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 84.953 25.141 43.643 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 83.651 24.884 44.373 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 82.420 74.330 55.214 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 83.141 74.942 55.063 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 82.373 74.246 56.166 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 49.042 6.054 3.778 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 49.093 5.944 2.829 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 48.307 6.652 3.912 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 49.775 34.887 -1.171 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 50.500 35.482 -1.363 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 50.080 34.371 -0.425 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 25.869 54.088 -7.903 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 25.302 54.453 -7.224 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 26.082 54.834 -8.464 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 42.563 82.013 -16.055 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 43.215 81.861 -15.370 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 41.957 81.276 -15.978 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 34.581 16.850 50.905 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 35.092 16.934 50.100 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 34.237 15.957 50.878 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 84.506 59.151 65.875 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 84.016 58.522 66.406 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 85.031 58.609 65.287 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 70.539 1.513 29.829 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 71.378 1.298 30.237 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 70.275 0.707 29.386 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 63.393 76.565 65.961 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 63.182 75.688 65.641 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 64.324 76.522 66.180 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 29.153 29.247 47.543 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 28.871 28.604 46.892 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 28.837 28.898 48.376 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 42.013 72.651 -12.022 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 42.476 72.923 -11.229 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 41.450 71.931 -11.735 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 55.643 61.916 57.971 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 55.217 62.110 58.806 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 55.038 61.324 57.525 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 72.651 55.946 33.331 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 72.427 56.849 33.107 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 73.586 55.875 33.134 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 29.458 35.157 -14.679 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 29.025 35.407 -15.496 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 29.797 35.980 -14.326 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 46.689 17.404 22.478 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 45.866 17.888 22.402 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 47.316 18.047 22.809 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 26.051 3.952 37.391 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 25.262 4.330 37.004 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 26.762 4.249 36.823 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 68.313 87.161 50.021 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 68.118 88.055 50.301 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 67.853 87.066 49.186 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 84.136 78.101 -13.647 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 84.977 78.510 -13.445 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 83.535 78.836 -13.772 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 21.367 81.378 17.298 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 20.906 82.161 17.598 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 21.468 80.842 18.085 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 21.354 14.959 -10.906 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 21.486 15.608 -11.597 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 20.896 15.436 -10.213 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 44.697 10.266 34.593 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 44.160 9.639 34.108 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 45.592 10.093 34.301 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 77.568 84.495 -15.237 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 77.260 85.335 -14.898 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 78.222 84.205 -14.601 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 45.095 82.960 41.165 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 45.216 82.463 40.356 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 45.534 82.437 41.836 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 72.429 32.056 48.318 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 72.147 31.490 49.035 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 71.808 32.784 48.327 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 26.810 20.424 -15.180 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 25.962 20.785 -15.437 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 26.930 20.712 -14.275 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 24.276 95.800 -9.893 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 23.589 96.092 -10.493 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 24.214 94.845 -9.905 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 56.699 77.251 42.664 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 56.167 76.806 42.004 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 56.062 77.624 43.274 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 67.444 80.649 60.384 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 67.555 79.752 60.071 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 67.740 81.196 59.656 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 29.082 46.498 49.183 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 29.586 47.272 48.930 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 29.148 45.912 48.430 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 88.581 16.746 -4.292 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 89.395 17.251 -4.305 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 88.587 16.305 -3.442 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 58.185 81.207 -2.309 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 58.379 80.436 -1.775 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 58.255 80.896 -3.212 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 88.127 58.932 42.287 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 87.797 59.748 41.910 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 87.395 58.320 42.211 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 78.424 65.512 23.388 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 77.821 66.124 22.966 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 77.888 65.056 24.037 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 74.568 50.391 59.593 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 74.081 50.362 58.770 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 75.436 50.055 59.370 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 36.591 40.389 -18.264 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 37.495 40.673 -18.122 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 36.544 40.199 -19.201 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 24.311 44.219 49.510 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 24.825 44.968 49.812 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 24.723 43.461 49.926 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 81.146 2.497 10.337 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 80.700 1.801 10.819 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 81.988 2.114 10.087 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 26.995 46.342 58.780 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 26.946 47.293 58.680 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 26.861 46.192 59.716 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 69.179 66.383 -3.258 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 69.246 66.445 -2.305 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 69.602 65.551 -3.474 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 76.398 18.443 -8.344 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 77.124 18.156 -7.790 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 76.515 19.390 -8.421 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 88.533 79.606 7.801 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 88.254 79.273 8.654 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 88.786 80.514 7.968 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 31.789 90.689 -0.962 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 32.315 90.622 -1.759 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 32.311 91.236 -0.375 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 57.611 50.699 51.601 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 56.716 51.035 51.653 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 57.983 51.127 50.830 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 69.336 5.612 10.566 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 70.291 5.674 10.526 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 69.029 6.180 9.859 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 85.614 52.857 63.452 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 85.983 52.530 62.631 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 86.029 52.324 64.130 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 65.376 12.749 52.821 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 65.689 13.039 53.678 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 66.159 12.736 52.271 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 71.174 6.759 43.028 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 70.942 7.671 42.857 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 70.501 6.449 43.633 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 83.871 95.116 38.225 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 84.541 95.543 38.760 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 83.456 94.489 38.816 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 52.210 28.747 46.495 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 53.037 28.389 46.818 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 51.856 28.059 45.931 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 36.864 87.545 31.281 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 37.074 87.190 30.417 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 36.526 88.423 31.103 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 48.561 86.827 10.248 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 47.636 87.021 10.403 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 48.868 86.450 11.072 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 66.796 93.035 33.356 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 66.042 92.474 33.541 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 66.455 93.710 32.769 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 24.904 12.885 -15.226 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 24.235 12.901 -15.909 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 24.788 13.710 -14.756 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 23.985 46.492 63.117 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 24.457 46.416 63.947 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 24.670 46.476 62.449 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 61.341 20.596 61.326 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 62.048 20.698 60.689 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 60.746 19.963 60.924 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 33.337 89.468 10.965 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 33.001 89.571 11.855 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 34.288 89.497 11.063 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 81.170 0.270 49.882 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 81.307 1.127 49.480 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 80.228 0.231 50.049 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 69.550 89.408 -3.834 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 69.439 90.207 -3.319 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 69.021 89.553 -4.618 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 71.189 6.534 -9.699 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 71.091 5.593 -9.551 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 70.882 6.669 -10.596 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 66.329 27.212 6.234 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 67.099 27.780 6.259 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 65.749 27.562 6.910 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 72.692 33.312 16.397 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 71.744 33.182 16.366 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 72.971 33.254 15.483 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 31.774 62.946 -9.286 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 31.826 63.446 -8.472 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 31.066 62.318 -9.137 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 40.691 29.672 19.490 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 39.921 29.333 19.946 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 40.818 30.549 19.851 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 39.112 0.470 17.849 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 39.771 1.165 17.847 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 39.272 -0.009 18.662 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 58.809 1.319 -15.559 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 59.571 1.186 -16.123 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 58.638 0.457 -15.179 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 78.205 94.244 7.111 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 77.895 94.533 6.253 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 79.103 94.571 7.165 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 81.893 9.194 65.200 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 82.561 9.841 64.975 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 81.731 8.723 64.382 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 43.309 83.891 -19.055 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 42.651 84.032 -18.374 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 43.171 84.608 -19.674 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 54.019 33.722 64.063 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 54.388 33.791 64.943 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 54.545 33.046 63.635 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 40.003 45.427 47.769 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 40.385 44.563 47.614 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 40.719 45.943 48.139 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 20.192 53.093 62.991 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 20.303 52.999 62.045 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 21.038 53.415 63.302 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 68.051 73.499 -4.375 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 67.490 73.726 -5.116 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 67.505 73.656 -3.604 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 48.830 43.296 65.260 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 49.090 43.208 66.177 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 49.582 43.710 64.836 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 70.717 35.938 -19.221 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 70.853 36.885 -19.218 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 69.933 35.806 -18.687 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 75.347 48.922 13.755 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 74.803 48.572 14.460 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 75.954 48.213 13.545 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 24.816 22.848 44.616 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 25.695 23.207 44.489 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 24.298 23.226 43.905 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 31.287 55.758 6.951 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 31.372 55.129 7.668 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 32.183 55.901 6.649 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 20.313 27.008 56.423 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 20.844 26.511 55.801 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 20.928 27.617 56.832 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 65.350 75.525 -0.480 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 64.418 75.591 -0.271 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 65.719 75.002 0.232 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 39.395 44.268 50.420 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 39.857 45.036 50.085 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 39.119 43.793 49.636 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 81.440 64.821 19.868 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 81.408 65.709 19.511 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 81.038 64.276 19.192 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 79.911 78.645 16.881 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 79.483 78.305 17.667 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 79.781 77.964 16.222 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 79.497 39.005 -18.476 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 80.342 39.357 -18.757 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 78.898 39.749 -18.526 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 24.378 9.288 9.235 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 23.614 9.837 9.060 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 24.617 9.491 10.140 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 30.956 67.156 -11.868 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 30.732 66.266 -12.140 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 30.733 67.701 -12.623 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 31.159 10.864 -18.603 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 31.389 10.064 -18.130 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 31.913 11.441 -18.479 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 58.428 59.957 64.234 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 58.141 59.047 64.151 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 57.930 60.298 64.977 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 41.156 4.777 37.588 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 41.355 3.859 37.772 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 41.918 5.257 37.913 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 38.427 19.230 -4.908 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 38.728 20.135 -4.992 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 37.964 19.055 -5.727 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 61.000 92.556 42.444 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 60.351 92.803 43.104 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 60.547 91.923 41.888 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 48.093 9.074 -19.836 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 48.896 8.574 -19.979 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 47.830 8.856 -18.942 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 65.635 52.101 18.940 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 65.305 51.235 18.701 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 64.929 52.702 18.701 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 65.163 13.860 58.737 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 65.572 14.647 58.377 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 65.851 13.450 59.262 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 29.546 54.514 -17.448 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 29.837 54.550 -16.537 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 29.669 55.406 -17.774 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 72.038 71.801 61.971 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 71.379 72.459 62.193 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 71.877 71.083 62.584 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 71.245 83.147 -16.547 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 71.394 84.089 -16.623 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 72.089 82.752 -16.765 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 20.530 52.218 -17.367 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 21.084 51.663 -17.916 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 19.731 51.706 -17.238 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 85.547 19.551 37.726 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 85.976 19.280 36.914 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 86.134 20.209 38.099 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 64.554 63.755 27.580 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 63.634 63.505 27.505 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 64.965 63.400 26.792 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 68.477 65.006 50.631 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 68.149 64.116 50.502 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 69.407 64.893 50.824 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 75.733 16.836 56.889 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 75.187 16.345 56.275 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 76.391 17.260 56.338 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 35.374 55.427 46.818 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 35.225 54.975 47.648 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 35.852 54.794 46.283 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 54.992 62.193 -7.222 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 55.370 62.697 -6.502 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 54.094 62.516 -7.296 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 21.698 18.670 61.238 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 20.779 18.860 61.425 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 21.933 19.284 60.542 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 85.636 50.461 37.152 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 85.473 51.287 36.698 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 84.775 50.186 37.466 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 41.425 74.480 61.627 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 42.100 73.813 61.501 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 41.905 75.258 61.911 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 88.137 2.765 62.820 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 87.479 3.222 62.296 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 88.438 3.418 63.451 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 71.263 10.909 66.971 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 71.510 9.993 66.842 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 70.398 10.983 66.569 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 29.380 92.731 -7.325 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 28.911 92.863 -8.149 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 28.789 93.073 -6.655 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 61.443 14.109 -5.865 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 61.641 13.405 -5.248 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 62.259 14.244 -6.346 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 59.863 44.426 35.406 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 59.849 44.722 34.496 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 59.446 45.134 35.896 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 23.308 53.469 43.084 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 23.066 54.394 43.040 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 23.043 53.193 43.961 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 75.152 48.873 54.122 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 74.220 48.678 54.021 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 75.511 48.792 53.239 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 80.845 22.109 55.288 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 81.206 21.346 54.836 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 80.450 22.636 54.593 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 27.133 48.637 -12.389 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 27.647 49.349 -12.009 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 26.503 49.076 -12.961 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 63.427 42.185 36.390 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 63.587 43.099 36.154 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 63.897 41.680 35.726 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 50.556 10.424 -13.831 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 51.513 10.384 -13.826 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 50.356 11.355 -13.930 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 85.341 43.223 22.915 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 85.768 43.094 22.068 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 84.409 43.282 22.707 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 71.558 10.857 3.997 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 71.645 10.183 4.671 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 72.297 10.703 3.407 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 21.111 51.449 41.866 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 21.340 51.589 42.785 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 20.331 50.895 41.895 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 90.085 31.967 -4.324 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 90.485 32.825 -4.466 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 90.360 31.446 -5.078 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 31.768 55.409 27.988 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 31.721 56.195 28.533 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 32.068 54.722 28.583 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 67.695 77.684 27.069 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 68.082 78.143 26.323 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 67.052 77.092 26.679 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 78.426 24.534 45.067 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 77.735 23.877 45.154 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 78.349 25.070 45.856 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 38.999 37.662 15.468 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 38.936 36.775 15.823 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 39.889 37.943 15.681 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 72.296 46.689 42.637 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 71.888 47.363 43.181 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 71.828 46.736 41.804 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 86.483 66.802 38.345 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 87.439 66.832 38.332 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 86.253 66.174 37.659 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 41.916 88.771 -18.920 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 41.485 87.943 -19.130 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 42.685 88.793 -19.489 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 20.219 6.177 44.081 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 20.905 6.503 44.664 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 20.627 5.448 43.615 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 88.856 65.652 19.267 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 89.574 65.353 19.825 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 88.826 65.016 18.552 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 21.023 48.721 51.210 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 20.544 47.914 51.024 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 20.358 49.324 51.544 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 37.957 27.284 -16.600 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 37.817 26.753 -15.817 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 37.168 27.149 -17.126 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 27.372 67.055 52.549 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 26.968 67.430 51.767 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 26.933 67.491 53.279 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 90.625 65.177 49.435 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 89.940 64.695 48.972 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 90.416 66.099 49.280 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 77.380 92.802 -4.837 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 77.959 93.545 -5.008 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 77.313 92.764 -3.883 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 40.774 1.461 35.326 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 41.349 2.186 35.572 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 40.846 0.841 36.052 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 61.542 87.574 62.227 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 62.288 87.211 62.703 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 61.079 86.809 61.885 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 86.136 37.992 38.204 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 86.627 38.759 37.910 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 85.233 38.301 38.283 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 35.719 34.127 51.087 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 36.383 33.569 50.681 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 35.628 33.783 51.976 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 57.939 90.201 30.738 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 58.462 89.407 30.841 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 57.917 90.354 29.793 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 26.719 30.382 60.961 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 25.870 29.944 61.024 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 26.883 30.715 61.843 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 90.439 65.189 58.913 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 89.813 64.712 59.456 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 90.323 66.106 59.161 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 83.850 40.307 54.147 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 83.363 40.966 53.652 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 84.718 40.692 54.269 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 48.127 12.777 34.642 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 48.764 12.064 34.683 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 47.870 12.817 33.720 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 27.026 73.765 43.155 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 26.274 74.260 43.480 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 26.642 73.053 42.643 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 23.387 78.711 22.950 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 22.834 79.481 23.083 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 22.781 77.971 22.988 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 31.873 29.601 17.625 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 32.771 29.767 17.910 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 31.884 29.772 16.683 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 58.332 92.038 -13.833 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 57.756 91.279 -13.736 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 58.472 92.114 -14.777 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 61.907 40.764 49.527 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 61.935 39.995 48.958 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 61.136 41.250 49.235 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 21.345 60.276 -15.925 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 20.599 60.184 -15.332 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 22.113 60.203 -15.358 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 88.276 88.887 47.299 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 88.777 88.578 46.544 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 87.363 88.720 47.066 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 57.501 81.664 28.994 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 58.426 81.896 28.909 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 57.197 81.557 28.092 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 76.371 63.454 -16.617 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 76.843 62.741 -16.187 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 77.011 64.163 -16.680 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 63.765 27.889 38.725 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 62.886 28.168 38.980 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 63.620 27.155 38.128 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 84.377 49.756 7.412 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 83.564 50.087 7.031 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 84.769 50.517 7.840 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 79.880 4.953 -8.273 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 79.721 5.724 -8.817 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 79.109 4.401 -8.407 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 43.176 44.946 1.280 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 42.556 44.652 1.948 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 43.203 45.898 1.380 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 67.612 94.021 43.852 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 67.900 93.622 43.031 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 66.660 94.082 43.768 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 84.730 26.337 46.170 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 85.417 25.677 46.078 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 84.752 26.580 47.095 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 87.680 52.307 -19.906 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 87.685 51.350 -19.935 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 87.399 52.518 -19.016 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 29.821 62.916 -15.405 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 29.993 62.740 -14.480 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 30.487 62.411 -15.873 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 87.311 32.931 50.609 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 87.798 33.716 50.360 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 87.971 32.237 50.633 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 57.890 6.137 3.313 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 57.396 5.644 2.658 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 58.777 6.189 2.956 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 25.489 33.275 15.761 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 25.940 33.230 14.918 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 25.153 34.170 15.806 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 32.781 15.310 57.289 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 33.536 14.805 57.591 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 32.992 16.216 57.516 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 88.333 56.580 48.130 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 88.863 55.968 47.619 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 88.902 56.846 48.852 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 57.487 93.130 -16.277 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 57.494 92.783 -17.169 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 56.638 92.867 -15.924 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 83.637 9.227 54.947 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 83.643 9.950 55.574 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 83.149 9.564 54.196 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 32.234 12.663 53.664 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 32.636 13.383 54.149 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 32.964 12.242 53.210 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 84.100 37.693 0.947 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 83.339 37.124 0.826 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 84.828 37.091 1.101 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 37.821 80.168 44.688 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 38.429 80.436 43.999 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 36.966 80.145 44.260 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 58.564 2.070 4.793 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 58.664 2.673 5.530 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 57.618 2.000 4.667 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 61.176 11.821 -3.686 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 61.066 11.319 -2.879 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 60.295 12.125 -3.902 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 71.446 85.744 44.132 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 70.800 86.422 44.333 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 71.069 84.940 44.490 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 75.032 39.279 5.614 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 74.983 40.197 5.347 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 75.932 39.020 5.416 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 59.588 82.461 54.731 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 60.142 82.569 55.504 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 58.705 82.346 55.081 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 42.979 63.002 44.468 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 43.641 62.692 43.849 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 42.538 63.716 44.010 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 51.777 95.713 13.731 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 52.466 95.365 13.164 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 50.964 95.528 13.261 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 75.858 52.942 16.440 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 76.670 53.234 16.854 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 75.410 52.438 17.120 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 43.328 2.708 6.742 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 44.127 2.819 7.257 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 42.617 2.864 7.363 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 47.549 49.580 -17.199 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 48.000 49.640 -16.357 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 47.669 48.670 -17.470 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 72.952 62.841 31.032 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 73.325 61.960 31.022 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 72.060 62.720 31.359 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 26.346 76.186 56.272 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 26.480 77.013 56.735 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 25.405 76.158 56.098 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 24.882 49.958 58.715 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 24.270 50.382 58.114 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 24.602 49.043 58.738 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 40.189 70.880 57.205 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 40.710 71.402 57.816 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 40.834 70.370 56.715 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 76.299 64.583 63.722 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 75.952 65.132 63.019 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 75.741 63.805 63.717 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 57.884 28.172 39.847 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 58.556 27.761 39.303 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 58.129 29.097 39.873 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 26.117 84.314 11.080 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 26.647 84.332 11.877 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 25.213 84.333 11.393 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 76.103 75.387 43.100 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 76.395 74.499 43.307 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 76.402 75.534 42.203 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 67.781 69.211 45.385 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 66.913 68.818 45.469 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 67.610 70.121 45.139 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 35.378 70.025 39.459 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 34.856 70.115 38.661 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 36.104 70.638 39.341 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 63.352 1.828 -14.133 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 64.050 2.109 -14.725 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 63.163 0.927 -14.395 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 74.715 94.279 6.956 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 75.277 93.911 7.638 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 73.935 94.578 7.422 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 81.093 69.457 34.746 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 81.307 70.295 34.336 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 81.416 68.799 34.129 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 32.069 31.700 55.944 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 31.239 32.171 56.023 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 32.156 31.525 55.007 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 29.648 70.805 27.368 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 30.191 70.295 26.766 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 30.228 71.498 27.685 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 73.000 76.120 22.867 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 72.895 76.977 23.281 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 72.976 75.498 23.594 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 77.502 78.441 -11.355 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 77.104 78.230 -10.510 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 78.141 77.743 -11.500 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 89.758 94.251 51.620 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 89.858 95.171 51.863 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 90.103 94.200 50.728 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 55.153 34.075 -18.809 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 55.758 33.810 -19.501 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 55.716 34.417 -18.115 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 41.098 9.483 -5.551 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 40.649 10.209 -5.985 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 40.421 8.817 -5.436 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 70.242 88.612 44.720 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 70.662 89.375 45.118 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 70.279 88.782 43.779 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 33.538 92.404 33.533 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 32.822 92.833 34.002 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 34.038 91.956 34.216 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 53.079 55.280 65.587 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 52.827 54.940 66.445 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 53.059 54.516 65.011 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 64.106 92.896 45.271 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 63.685 92.764 46.121 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 63.709 92.236 44.702 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 78.070 95.808 64.341 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 78.198 96.477 65.013 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 78.048 94.982 64.825 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 90.317 13.707 57.883 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 91.037 13.204 58.263 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 90.170 14.421 58.504 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 68.872 76.553 35.550 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 68.098 77.107 35.654 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 68.916 76.376 34.611 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 28.375 2.966 45.790 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 27.789 3.705 45.951 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 27.868 2.374 45.234 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 87.631 2.618 12.800 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 88.359 2.474 13.405 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 87.205 1.764 12.730 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 79.830 48.770 8.748 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 79.984 48.004 8.194 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 79.831 49.510 8.140 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 86.272 69.348 28.881 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 85.651 70.037 29.114 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 86.593 69.020 29.722 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 47.595 34.397 2.840 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 48.104 34.151 3.613 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 46.785 34.765 3.194 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 78.404 50.917 53.198 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 78.330 50.761 54.140 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 78.151 51.833 53.086 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 34.831 67.372 46.124 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 35.576 66.861 46.440 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 35.187 67.898 45.408 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 77.674 47.643 12.654 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 77.850 47.161 11.846 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 78.460 48.172 12.793 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 23.884 87.886 25.817 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 24.048 87.903 24.874 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 24.710 87.589 26.199 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 39.014 95.579 -7.074 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 39.515 96.324 -6.743 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 39.651 94.865 -7.124 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 45.310 5.637 -18.112 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 44.468 6.091 -18.161 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 45.244 5.093 -17.328 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 69.847 92.403 65.789 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 69.823 92.761 66.676 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 68.963 92.545 65.449 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 70.340 67.765 -15.377 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 70.522 67.233 -14.602 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 70.505 67.178 -16.115 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 27.065 75.036 23.260 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 26.513 75.797 23.084 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 27.069 74.546 22.438 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 79.953 62.225 -1.672 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 79.182 62.288 -1.109 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 79.613 61.912 -2.511 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 40.225 1.599 -5.860 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 40.762 2.048 -5.207 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 39.327 1.854 -5.649 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 76.291 52.306 2.015 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 76.529 52.750 1.201 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 75.334 52.313 2.022 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 65.555 57.918 4.549 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 66.015 58.692 4.876 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 66.059 57.178 4.889 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 28.412 64.861 47.578 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 29.369 64.855 47.593 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 28.158 64.179 48.200 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 31.123 80.011 63.422 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 31.710 79.588 62.795 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 30.987 79.353 64.104 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 32.564 76.996 39.646 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 31.629 76.808 39.568 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 32.705 77.755 39.081 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 27.623 58.092 49.319 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 28.463 57.791 48.973 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 27.281 58.680 48.645 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 83.376 69.462 -10.622 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 82.566 69.971 -10.649 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 84.043 70.088 -10.341 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 90.171 76.813 50.075 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 90.002 76.192 50.783 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 90.371 76.264 49.316 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 89.832 67.407 2.344 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 88.875 67.419 2.341 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 90.062 66.501 2.135 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 35.469 69.488 48.736 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 36.051 69.615 47.987 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 34.589 69.497 48.360 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 41.400 89.924 58.858 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 40.664 89.367 59.115 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 42.033 89.320 58.470 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 79.561 57.163 5.847 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 78.836 57.712 6.145 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 79.351 56.289 6.176 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 50.298 5.716 49.524 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 49.598 5.428 48.937 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 49.976 6.536 49.898 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 53.175 30.336 30.457 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 52.372 30.525 30.943 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 53.539 29.562 30.887 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 75.585 23.400 2.787 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 75.148 23.511 1.943 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 76.516 23.506 2.592 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 41.911 95.656 14.398 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 42.056 95.441 15.319 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 41.938 94.812 13.947 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 74.612 3.587 -16.875 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 74.057 3.597 -16.095 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 74.107 4.062 -17.535 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 74.877 66.375 50.072 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 74.322 66.374 49.292 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 74.501 65.698 50.635 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 43.144 67.136 -4.096 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 42.903 66.653 -3.306 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 43.868 67.699 -3.822 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 70.430 91.658 61.585 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 69.945 91.562 60.765 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 70.263 92.560 61.858 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 60.749 87.773 -3.234 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 61.222 88.212 -3.941 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 59.836 88.032 -3.359 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 48.699 35.387 11.971 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 49.211 34.579 12.000 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 48.057 35.289 12.674 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 63.710 13.770 -3.372 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 64.534 14.015 -2.950 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 63.936 13.022 -3.924 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 35.337 65.705 60.787 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 34.691 65.004 60.693 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 35.906 65.610 60.023 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 31.413 18.425 -13.663 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 31.149 18.058 -12.820 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 30.890 17.949 -14.307 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 33.930 21.935 9.742 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 34.557 22.560 9.377 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 33.179 21.976 9.151 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 69.035 77.269 29.813 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 68.694 77.940 30.405 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 68.612 77.453 28.974 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 87.507 90.558 13.985 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 86.812 89.903 13.914 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 87.484 91.023 13.149 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 72.312 21.986 -15.155 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 73.150 21.709 -15.523 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 71.831 21.171 -15.013 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 74.361 75.804 -16.192 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 73.877 76.343 -16.818 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 74.043 76.089 -15.335 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 29.401 18.633 32.752 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 29.286 19.529 33.068 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 28.600 18.180 33.016 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 65.264 11.126 10.674 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 65.560 11.603 11.449 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 64.666 10.461 11.015 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 46.580 81.860 -15.527 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 45.942 82.523 -15.791 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 46.871 82.138 -14.659 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 74.078 87.380 24.575 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 74.837 87.871 24.259 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 73.890 86.752 23.878 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 81.298 52.022 59.646 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 80.767 51.925 58.855 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 81.411 52.967 59.745 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 35.683 35.119 61.165 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 35.799 34.176 61.281 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 36.557 35.486 61.302 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 27.634 58.206 26.285 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 27.127 57.946 27.054 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 28.119 57.419 26.039 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 83.735 82.899 -4.138 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 83.607 83.286 -3.271 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 84.607 82.506 -4.099 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 36.150 11.101 -2.063 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 36.190 12.057 -2.098 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 36.468 10.815 -2.919 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 47.247 53.953 66.481 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 47.700 54.636 65.986 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 46.421 54.358 66.747 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 41.719 36.911 27.453 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 42.597 36.802 27.820 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 41.811 36.663 26.533 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 88.520 87.918 62.859 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 88.906 87.169 62.405 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 88.646 87.727 63.788 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 70.431 69.592 13.504 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 71.310 69.214 13.539 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 70.503 70.307 12.872 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 69.844 54.516 37.394 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 69.759 53.639 37.769 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 69.984 54.366 36.459 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 60.229 68.331 -11.748 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 60.863 68.358 -12.465 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 60.416 69.116 -11.233 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 83.935 79.356 51.120 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 83.255 79.218 50.460 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 84.391 80.148 50.833 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 67.023 51.275 27.811 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 66.080 51.352 27.949 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 67.118 51.144 26.867 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 83.651 88.612 34.092 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 82.708 88.621 33.924 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 83.756 89.122 34.895 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 65.456 63.944 -9.356 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 65.582 63.004 -9.482 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 65.558 64.076 -8.413 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 71.325 64.234 4.251 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 70.708 64.954 4.380 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 71.791 64.166 5.084 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 87.083 79.791 56.624 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 86.407 80.406 56.337 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 87.874 80.324 56.706 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 38.422 67.840 51.799 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 39.056 68.244 51.206 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 37.767 67.451 51.220 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 47.978 5.512 -18.758 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 47.085 5.727 -18.488 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 48.525 6.167 -18.322 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 43.936 64.114 51.231 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 43.398 64.906 51.206 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 43.801 63.706 50.376 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 50.508 16.549 22.585 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 50.541 17.251 23.235 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 50.630 16.992 21.746 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 27.959 3.489 17.979 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 27.639 2.606 18.163 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 28.372 3.420 17.118 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 63.359 3.581 -11.848 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 63.001 3.094 -11.106 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 63.253 2.993 -12.596 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 33.179 58.919 62.032 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 32.705 58.129 61.774 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 33.665 59.174 61.248 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 90.572 90.745 -19.466 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 90.318 90.977 -18.573 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 89.983 91.254 -20.023 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 52.769 93.016 49.911 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 52.900 93.919 50.201 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 52.546 93.091 48.984 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 80.822 83.645 31.685 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 80.011 83.227 31.394 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 80.756 84.545 31.366 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 49.880 7.452 58.538 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 50.748 7.835 58.666 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 49.711 7.545 57.601 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 71.817 30.515 17.440 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 72.134 31.273 17.931 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 72.447 29.821 17.636 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 23.239 76.266 13.763 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 22.666 75.991 13.047 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 23.857 76.873 13.357 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 33.205 49.872 22.226 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 33.466 49.050 21.811 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 32.289 49.987 21.975 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 77.849 83.535 36.804 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 76.978 83.846 36.556 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 78.143 84.154 37.472 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 82.690 93.019 21.158 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 81.974 93.320 21.718 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 82.519 92.086 21.030 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 39.134 73.249 51.696 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 38.811 72.679 52.394 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 39.082 72.713 50.905 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 63.571 88.696 60.521 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 63.165 89.253 59.856 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 62.834 88.323 61.005 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 68.129 67.223 1.427 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 68.072 68.171 1.304 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 67.794 67.075 2.311 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 46.642 88.124 20.616 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 46.463 88.397 19.716 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 46.719 87.171 20.567 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 32.168 1.929 43.471 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 31.264 1.776 43.199 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 32.644 2.073 42.653 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 85.293 84.251 -14.248 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 84.771 83.525 -13.906 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 86.195 84.028 -14.015 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 44.968 64.480 -18.144 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 45.658 63.827 -18.030 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 45.346 65.127 -18.740 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 44.923 55.611 -15.153 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 45.276 56.229 -14.514 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 44.285 55.095 -14.661 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 80.541 55.759 -8.320 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 79.883 56.439 -8.180 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 80.138 55.161 -8.950 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 29.098 74.717 31.450 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 29.873 74.361 31.883 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 29.322 75.630 31.269 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 80.074 80.900 30.435 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 79.348 81.523 30.468 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 79.940 80.418 29.619 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 20.693 58.992 -18.823 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 19.935 58.759 -18.287 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 21.439 58.921 -18.227 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 34.920 25.940 -2.841 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 35.833 26.212 -2.745 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 34.821 25.212 -2.227 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 30.712 61.439 13.380 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 31.537 61.141 12.997 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 30.093 60.734 13.194 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 63.884 64.881 36.906 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 63.266 65.172 37.577 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 63.753 63.934 36.853 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 64.612 75.358 48.285 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 64.298 74.841 47.543 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 64.522 76.267 48.000 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 71.406 33.658 -9.017 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 71.239 32.907 -9.586 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 71.653 33.273 -8.177 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 84.720 35.093 16.932 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 85.181 35.303 16.120 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 85.267 34.430 17.354 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 45.295 18.336 -4.763 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 44.367 18.570 -4.770 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 45.332 17.514 -4.274 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 23.510 38.624 44.301 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 23.939 38.903 43.492 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 22.864 39.308 44.478 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 26.769 21.478 -9.683 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 26.348 21.946 -8.962 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 26.579 20.556 -9.513 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 44.681 72.200 55.702 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 44.768 72.903 55.058 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 43.814 72.331 56.084 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 52.169 54.728 59.108 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 52.796 55.224 59.634 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 51.314 55.073 59.366 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 42.224 40.683 -12.248 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 43.093 41.054 -12.094 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 41.798 40.707 -11.392 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 66.351 72.096 34.808 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 66.634 71.194 34.957 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 66.236 72.158 33.860 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 86.049 2.356 55.017 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 86.546 2.605 55.797 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 86.712 2.242 54.337 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 77.482 61.301 -14.838 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 77.407 61.745 -13.993 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 78.310 61.615 -15.201 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 24.607 34.124 29.849 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 24.884 35.006 30.099 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 24.609 34.135 28.892 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 47.328 73.972 28.455 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 46.993 73.982 27.558 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 48.029 73.320 28.442 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 50.945 92.762 -10.368 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 51.439 92.090 -9.898 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 50.327 93.103 -9.721 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 61.288 84.942 -17.111 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 61.212 85.894 -17.045 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 62.171 84.749 -16.795 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 35.364 59.928 20.252 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 35.571 59.479 19.433 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 36.096 60.529 20.389 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 23.539 52.579 -5.485 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 23.696 52.340 -6.399 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 23.017 51.857 -5.135 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 70.242 23.588 -2.502 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 69.730 23.553 -1.694 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 70.810 24.350 -2.394 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 61.732 33.825 2.210 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 60.777 33.783 2.172 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 61.966 33.301 2.976 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 45.137 75.622 63.420 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 44.395 75.835 62.855 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 45.322 76.435 63.891 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 59.193 31.092 35.521 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 59.095 30.681 34.662 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 58.590 31.835 35.502 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 57.306 95.969 8.866 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 57.668 96.817 8.610 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 57.440 95.410 8.101 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 74.399 64.431 52.158 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 74.076 64.033 51.350 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 73.718 65.055 52.407 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 43.160 9.865 23.043 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 43.865 9.493 23.573 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 43.601 10.475 22.451 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 72.017 52.578 33.632 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 71.664 53.334 34.100 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 72.181 52.899 32.746 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 20.742 76.054 8.552 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 21.413 75.394 8.726 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 21.233 76.862 8.400 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 55.198 45.240 48.386 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 56.022 44.967 48.790 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 54.583 45.307 49.115 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 87.136 58.259 27.614 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 87.392 57.691 28.340 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 87.955 58.442 27.152 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 67.301 51.691 40.719 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 67.156 52.433 40.132 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 66.861 51.938 41.532 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 67.153 40.503 -0.532 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 67.321 39.644 -0.919 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 66.483 40.893 -1.093 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 50.497 1.590 32.301 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 51.290 2.090 32.107 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 50.619 0.759 31.842 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 80.022 93.950 1.765 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 80.666 93.246 1.851 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 79.631 93.814 0.902 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 66.935 76.276 -6.933 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 66.900 75.325 -6.834 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 67.535 76.566 -6.245 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 37.428 23.942 38.338 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 38.158 23.755 38.928 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 37.798 24.524 37.674 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 43.445 75.477 -7.644 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 42.742 76.127 -7.643 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 43.750 75.451 -6.737 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 90.080 1.155 65.646 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 90.678 0.484 65.974 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 89.593 0.721 64.945 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 63.517 62.159 37.605 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 63.306 61.760 38.449 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 62.716 62.067 37.089 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 44.832 87.228 -17.882 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 43.902 87.140 -17.674 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 45.172 86.335 -17.842 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 77.106 28.230 -15.542 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 76.463 28.572 -16.163 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 76.912 28.684 -14.721 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 87.534 73.295 40.255 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 87.354 73.465 39.330 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 87.680 72.350 40.301 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 34.621 93.206 10.646 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 35.500 93.464 10.369 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 34.659 93.214 11.603 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 76.704 69.842 54.824 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 76.027 70.157 54.226 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 76.896 68.954 54.522 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 44.613 85.028 2.468 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 45.060 84.274 2.083 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 44.942 85.779 1.973 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 81.078 44.118 37.747 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 81.027 44.099 36.791 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 81.925 43.723 37.951 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 70.344 59.457 0.305 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 70.018 60.327 0.534 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 70.239 58.943 1.106 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 21.587 31.949 27.182 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 20.947 32.654 27.084 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 22.397 32.308 26.820 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 62.538 22.938 3.192 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 62.463 22.016 3.435 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 63.281 22.968 2.588 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 86.733 48.457 4.384 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 87.233 48.993 3.769 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 87.102 48.669 5.242 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 47.202 82.087 26.760 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 46.802 82.956 26.728 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 46.565 81.514 26.332 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 85.846 11.906 61.963 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 86.411 12.658 62.139 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 86.448 11.164 61.897 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 75.407 20.895 51.498 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 74.866 20.870 50.708 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 75.337 21.798 51.808 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 46.831 57.312 -1.944 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 46.624 56.829 -1.144 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 46.941 58.218 -1.655 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 29.108 37.681 30.294 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 29.378 36.764 30.232 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 28.877 37.925 29.398 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 55.852 2.072 23.576 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 56.168 1.381 22.994 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 54.901 2.057 23.472 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 80.345 15.254 62.049 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 79.411 15.413 62.182 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 80.677 16.072 61.680 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 82.080 39.344 44.535 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 81.422 38.827 44.071 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 82.916 38.963 44.268 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 36.599 2.488 29.404 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 37.504 2.222 29.240 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 36.501 2.431 30.355 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 57.170 66.568 -18.829 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 56.890 67.188 -18.157 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 56.451 65.938 -18.890 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 23.891 74.049 18.015 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 24.610 73.984 18.642 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 23.102 73.905 18.538 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 52.463 15.647 7.613 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 52.498 16.020 8.494 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 51.855 16.213 7.137 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 86.802 54.541 22.542 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 86.383 53.987 21.883 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 86.427 55.410 22.399 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 65.374 48.388 38.614 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 65.744 49.111 38.107 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 64.609 48.766 39.047 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 41.860 41.595 53.793 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 41.503 42.431 53.493 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 42.763 41.592 53.478 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 49.653 36.161 23.862 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 50.172 35.451 24.239 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 50.275 36.879 23.749 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 89.058 35.745 -15.901 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 89.041 36.698 -15.992 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 89.975 35.538 -15.721 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 60.607 70.601 31.431 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 59.824 70.067 31.563 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 60.794 70.527 30.495 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 50.139 78.100 53.054 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 51.071 77.981 53.235 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 49.858 77.263 52.683 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 27.722 38.086 45.781 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 27.818 39.038 45.785 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 27.234 37.897 44.980 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 25.326 6.921 -12.897 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 25.806 7.295 -12.157 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 25.415 5.974 -12.787 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 67.927 70.794 0.526 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 67.008 70.545 0.427 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 67.951 71.721 0.287 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 83.792 56.691 58.577 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 83.146 57.313 58.912 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 84.585 57.212 58.453 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 50.636 90.559 31.557 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 50.841 90.849 30.668 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 49.689 90.420 31.551 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 49.247 91.539 12.534 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 49.233 90.604 12.738 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 48.515 91.904 13.031 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 85.510 0.207 7.167 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 84.743 0.011 6.629 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 85.965 0.903 6.692 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 73.193 92.998 56.630 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 73.322 93.196 57.557 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 73.058 92.050 56.603 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 79.299 91.627 3.685 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 79.976 91.828 3.039 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 78.475 91.748 3.213 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 20.734 86.978 52.633 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 21.271 87.499 52.037 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 20.442 86.234 52.106 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 23.035 40.061 19.420 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 22.964 41.013 19.492 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 23.531 39.918 18.613 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 22.542 20.151 40.596 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 22.809 19.406 40.057 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 21.732 19.863 41.017 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 27.494 82.110 47.312 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 28.034 82.180 48.099 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 26.661 82.514 47.556 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 72.389 42.302 40.627 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 71.755 42.326 39.910 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 73.224 42.526 40.216 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 51.767 8.286 -3.493 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 52.050 7.467 -3.086 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 52.550 8.836 -3.496 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 66.144 62.481 30.417 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 66.269 61.606 30.048 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 65.247 62.716 30.180 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 58.222 71.284 36.791 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 59.006 71.134 36.262 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 57.499 71.246 36.164 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 51.551 5.889 -14.241 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 52.422 5.728 -14.605 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 51.660 5.773 -13.297 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 79.669 37.587 -1.905 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 80.551 37.954 -1.971 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 79.351 37.880 -1.051 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 79.520 56.270 -1.783 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 80.348 56.698 -1.564 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 79.405 56.435 -2.719 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 72.524 32.018 -14.204 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 72.163 32.689 -13.625 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 73.419 32.309 -14.380 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 30.987 81.846 45.976 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 31.666 82.461 45.697 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 31.464 81.153 46.433 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 21.657 55.465 17.389 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 22.099 54.663 17.667 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 20.726 55.244 17.405 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 35.287 96.236 9.993 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 35.003 96.941 10.575 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 35.718 95.606 10.571 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 74.708 70.908 -11.642 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 73.897 70.692 -11.182 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 75.351 70.286 -11.299 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 61.931 52.375 -6.725 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 61.219 51.755 -6.880 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 62.330 52.083 -5.905 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 77.014 20.457 43.920 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 77.796 19.963 43.674 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 76.568 19.900 44.558 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 30.667 45.421 35.643 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 30.425 45.176 34.750 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 30.092 44.897 36.200 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 81.719 85.574 -8.433 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 82.582 85.292 -8.130 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 81.868 86.445 -8.802 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 44.142 45.894 11.060 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 43.957 46.766 11.411 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 44.597 45.441 11.771 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 28.369 24.678 55.640 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 29.203 24.498 55.207 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 28.416 24.192 56.463 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 73.435 76.872 57.991 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 73.251 76.275 57.266 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 74.321 76.643 58.272 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 61.072 63.062 48.969 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 60.613 62.356 48.513 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 60.843 62.943 49.890 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 66.373 4.145 53.261 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 65.676 4.121 53.916 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 66.718 3.252 53.245 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 64.490 36.633 28.967 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 65.304 36.591 28.466 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 63.967 37.297 28.520 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 77.404 92.124 -15.841 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 77.970 92.894 -15.903 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 78.005 91.397 -15.679 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 47.080 20.993 2.936 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 47.285 20.077 3.124 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 47.096 21.424 3.791 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 88.910 79.752 61.190 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 87.960 79.835 61.273 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 89.242 79.898 62.076 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 57.002 34.071 -9.759 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 57.587 34.414 -10.435 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 56.492 34.830 -9.476 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 73.328 40.353 42.243 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 73.043 40.623 41.370 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 74.226 40.677 42.313 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 66.914 40.436 41.714 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 66.000 40.151 41.690 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 66.904 41.225 42.256 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 31.290 47.231 21.270 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 32.233 47.393 21.296 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 31.068 46.960 22.161 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 86.328 68.182 51.162 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 86.295 68.871 51.826 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 85.693 67.531 51.459 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 64.685 47.792 62.708 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 64.467 48.477 62.077 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 65.169 48.247 63.398 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 51.175 76.991 33.883 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 51.498 76.499 33.128 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 50.408 76.500 34.178 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 27.207 68.393 49.845 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 27.618 68.254 48.992 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 26.320 68.050 49.744 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 25.695 94.645 32.571 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 25.822 95.590 32.661 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 26.339 94.259 33.165 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 46.603 89.680 2.216 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 46.884 89.665 3.131 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 46.972 90.491 1.866 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 49.374 25.448 57.105 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 48.683 25.730 56.506 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 49.628 26.245 57.570 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 69.342 73.684 25.830 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 69.795 73.452 25.019 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 68.629 73.049 25.896 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 35.501 40.867 -13.749 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 35.623 41.570 -13.111 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 36.226 40.973 -14.365 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 89.578 48.167 55.434 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 89.770 48.125 56.371 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 88.857 48.792 55.365 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 88.336 4.259 -14.415 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 88.729 5.053 -14.052 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 87.417 4.303 -14.148 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 73.282 93.966 -11.137 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 72.400 93.827 -10.791 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 73.797 93.245 -10.775 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 80.078 78.524 33.188 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 79.914 78.616 34.127 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 79.379 79.028 32.771 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 75.908 49.757 39.455 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 76.246 50.635 39.627 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 75.120 49.694 39.994 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 24.963 96.538 34.950 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 24.979 95.771 35.523 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 24.036 96.764 34.877 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 67.345 74.362 63.648 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 66.520 74.153 63.208 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 67.618 75.194 63.262 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 77.762 85.070 11.805 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 77.191 85.756 12.151 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 78.645 85.346 12.051 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 29.822 57.061 -18.094 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 29.326 57.708 -18.594 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 30.580 57.543 -17.762 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 36.509 2.099 23.097 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 35.981 2.288 22.321 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 36.559 2.933 23.563 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 55.859 69.309 62.569 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 55.655 68.434 62.237 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 55.567 69.293 63.481 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 81.087 60.377 27.935 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 80.552 60.517 27.154 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 80.671 60.914 28.610 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 73.856 34.414 18.575 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 73.369 33.937 17.903 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 74.757 34.101 18.485 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 85.101 23.737 50.756 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 84.369 23.180 50.491 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 85.691 23.149 51.228 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 51.938 65.439 41.591 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 52.476 64.663 41.751 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 51.256 65.138 40.990 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 48.116 34.744 -16.559 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 48.685 34.498 -15.829 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 48.548 34.381 -17.332 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 21.523 94.189 53.646 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 20.992 94.750 54.212 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 21.007 94.099 52.845 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 32.115 34.544 22.094 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 32.005 35.322 21.547 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 33.037 34.308 21.995 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 48.823 3.977 21.449 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 47.967 4.083 21.034 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 49.444 3.974 20.721 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 78.136 51.794 -14.681 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 77.790 50.930 -14.455 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 77.778 52.378 -14.012 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 66.442 65.945 -16.702 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 66.605 66.010 -15.761 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 65.907 65.157 -16.798 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 20.809 61.865 9.053 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 20.086 62.057 9.651 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 21.121 61.001 9.324 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 52.756 2.183 17.893 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 53.294 1.701 18.520 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 52.703 1.609 17.129 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 38.843 36.672 64.318 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 38.789 36.134 63.529 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 39.649 37.178 64.209 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 27.336 71.845 28.446 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 27.741 72.651 28.127 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 27.845 71.144 28.039 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 60.860 69.548 37.613 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 61.487 68.825 37.590 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 60.385 69.480 36.785 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 21.498 69.833 5.961 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 21.457 69.051 5.409 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 22.428 69.931 6.168 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 86.341 75.278 61.514 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 85.887 74.550 61.090 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 87.166 74.900 61.820 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 65.349 18.603 -17.539 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 65.571 19.462 -17.178 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 66.193 18.211 -17.763 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 51.314 43.920 50.885 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 51.067 44.633 51.474 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 50.774 43.181 51.163 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 37.949 96.105 -14.024 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 38.807 96.333 -13.667 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 37.505 95.649 -13.309 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 67.287 27.157 49.868 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 67.707 27.717 49.216 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 66.503 26.825 49.430 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 54.122 43.905 60.205 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 54.902 44.411 60.433 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 54.183 43.116 60.744 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 51.376 66.085 14.140 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 50.991 65.537 14.824 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 52.211 65.664 13.937 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 48.230 54.718 42.234 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 47.946 53.822 42.417 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 47.916 55.227 42.981 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 47.702 71.339 -13.576 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 47.748 70.535 -13.059 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 46.780 71.596 -13.540 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 81.699 11.874 -13.289 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 81.581 11.963 -14.235 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 80.820 11.703 -12.953 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 63.647 69.924 -4.345 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 63.551 69.026 -4.662 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 63.272 69.910 -3.465 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 35.581 47.394 26.700 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 36.014 48.035 27.264 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 35.883 46.546 27.025 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 23.126 95.292 24.700 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 23.634 96.097 24.597 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 23.364 94.967 25.568 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 81.476 46.841 33.104 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 82.405 47.031 32.973 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 81.434 45.887 33.173 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 85.177 50.699 -0.086 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 85.113 51.173 0.744 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 84.274 50.464 -0.298 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 34.564 87.560 42.410 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 34.470 86.683 42.780 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 34.807 87.410 41.496 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 45.162 76.701 13.200 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 44.857 76.254 12.410 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 45.596 76.018 13.710 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 24.878 29.378 -8.773 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 25.763 29.350 -8.408 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 24.397 28.708 -8.287 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 45.692 87.338 1.377 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 46.592 87.113 1.140 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 45.761 88.195 1.796 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 50.213 86.584 15.244 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 50.828 86.036 14.757 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 49.835 85.997 15.899 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 20.763 5.014 -4.024 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 21.062 5.120 -4.927 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 21.253 5.671 -3.530 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 71.263 51.688 23.146 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 70.338 51.800 22.925 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 71.686 52.480 22.816 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 75.791 30.156 31.437 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 76.041 29.339 31.004 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 76.564 30.407 31.941 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 42.859 3.925 -9.194 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 43.378 3.355 -8.626 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 41.972 3.568 -9.144 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 38.221 93.070 41.384 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 37.387 93.529 41.286 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 38.369 93.040 42.329 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 52.854 89.017 29.032 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 52.339 89.808 28.870 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 53.670 89.338 29.416 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 50.842 16.221 29.890 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 51.637 16.100 29.372 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 50.348 16.892 29.420 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 87.992 70.227 18.656 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 88.641 69.525 18.610 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 87.155 69.791 18.493 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 52.869 93.765 16.936 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 52.419 93.508 16.131 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 53.791 93.822 16.688 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 58.433 38.498 59.482 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 57.513 38.328 59.281 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 58.571 39.409 59.222 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 24.978 71.217 54.336 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 24.979 72.166 54.459 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 25.488 71.078 53.538 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 39.067 67.388 -5.733 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 39.536 67.301 -4.903 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 38.149 67.237 -5.508 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 56.123 5.204 5.041 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 56.176 5.711 5.851 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 56.680 5.679 4.424 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 45.221 27.540 65.052 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 45.063 27.866 65.938 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 46.127 27.783 64.865 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 68.250 10.620 53.704 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 67.557 10.480 54.349 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 68.298 11.571 53.605 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 87.858 4.917 -4.870 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 87.143 4.617 -5.432 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 87.500 5.675 -4.410 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 42.325 90.843 64.179 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 42.696 91.661 64.509 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 42.080 91.039 63.274 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 35.619 77.045 24.587 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 36.446 77.460 24.341 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 35.039 77.207 23.843 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 45.106 51.025 -16.923 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 45.198 51.971 -16.805 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 45.989 50.723 -17.135 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 42.354 70.172 17.481 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 43.259 69.861 17.482 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 41.858 69.468 17.062 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 31.679 70.152 50.268 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 32.302 70.580 49.681 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 31.495 69.310 49.850 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 35.433 19.056 -9.289 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 35.031 18.662 -10.063 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 35.153 19.971 -9.313 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 57.175 51.782 61.284 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 56.715 51.855 62.120 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 56.608 51.231 60.745 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 23.616 43.495 52.506 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 23.606 42.721 51.942 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 24.540 43.622 52.723 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 82.697 49.070 29.835 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 83.039 49.864 30.248 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 82.144 49.390 29.122 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 45.391 86.119 50.462 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 44.573 85.849 50.044 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 46.007 85.416 50.259 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 41.906 77.748 24.848 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 41.885 77.261 25.672 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 41.900 77.073 24.170 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 39.211 8.866 19.272 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 38.594 9.597 19.309 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 39.701 8.924 20.092 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 40.675 72.157 16.466 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 40.308 72.048 17.344 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 41.620 72.059 16.588 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 24.038 1.143 59.714 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 24.012 1.309 58.772 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 24.624 1.816 60.060 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 48.272 2.720 -4.899 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 47.752 2.094 -4.396 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 49.137 2.698 -4.490 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 36.536 16.226 56.546 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 35.822 16.415 57.155 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 36.752 17.075 56.159 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 79.966 21.292 59.775 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 80.187 21.913 60.470 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 80.030 21.802 58.968 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 84.848 47.670 53.978 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 84.784 48.625 53.998 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 84.444 47.386 54.799 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 21.577 53.768 54.019 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 20.801 53.627 54.560 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 21.472 54.654 53.674 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 77.308 64.603 42.336 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 76.982 63.730 42.117 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 76.937 64.788 43.199 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 24.058 75.830 53.251 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 23.962 75.913 54.200 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 24.660 75.096 53.134 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 80.649 9.251 57.428 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 80.851 9.945 56.801 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 80.367 8.513 56.888 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 21.217 3.774 -19.094 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 20.653 3.033 -18.874 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 21.394 3.672 -20.029 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 47.437 70.315 54.182 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 46.893 69.657 53.748 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 47.192 71.141 53.765 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 34.462 2.992 66.254 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 34.454 3.946 66.176 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 34.376 2.827 67.193 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 47.189 14.807 26.657 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 46.689 15.409 26.106 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 48.041 15.229 26.763 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 65.214 49.528 14.262 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 65.294 48.772 14.843 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 64.446 50.000 14.587 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 70.904 46.701 61.092 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 70.348 46.317 61.769 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 70.613 47.611 61.029 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 23.771 17.970 39.474 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 23.316 17.607 38.714 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 24.659 18.146 39.162 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 76.619 78.637 62.561 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 77.363 78.717 63.158 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 76.909 78.007 61.901 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 81.679 81.612 52.470 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 81.903 80.682 52.488 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 81.837 81.880 51.565 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 78.570 53.818 17.262 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 79.115 53.046 17.416 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 78.479 54.223 18.125 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 31.370 88.898 21.060 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 31.283 87.979 20.808 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 32.310 89.027 21.180 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 62.332 87.290 24.034 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 61.927 86.994 24.849 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 61.738 86.987 23.347 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 51.698 90.334 66.660 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 52.387 89.688 66.509 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 50.963 89.826 67.001 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 62.709 78.503 -16.804 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 62.155 79.034 -17.376 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 63.409 78.185 -17.374 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 32.161 54.543 11.539 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 32.229 55.494 11.623 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 32.960 54.208 11.947 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 29.330 53.800 5.164 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 29.837 54.378 4.594 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 29.739 53.892 6.025 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 56.484 14.314 18.908 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 56.020 15.149 18.838 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 57.350 14.490 18.542 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 86.438 33.257 -3.581 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 86.635 33.397 -2.655 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 85.639 33.762 -3.735 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 85.437 18.488 66.599 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 85.897 17.710 66.285 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 85.778 18.629 67.482 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 21.121 57.793 23.481 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 21.430 58.698 23.506 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 21.586 57.401 22.741 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 31.611 74.489 5.257 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 30.926 74.762 5.868 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 32.250 75.201 5.279 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 75.157 55.837 32.120 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 75.575 54.979 32.043 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 75.792 56.447 31.746 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 75.047 93.343 13.766 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 75.105 94.211 13.367 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 75.826 93.281 14.319 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 38.493 87.996 1.211 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 39.278 88.537 1.127 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 38.803 87.184 1.612 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 75.119 76.776 31.688 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 75.534 75.938 31.482 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 75.711 77.189 32.317 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 59.901 79.247 -18.554 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 59.806 80.062 -19.047 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 60.717 78.865 -18.876 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 53.442 51.845 53.033 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 53.687 51.002 52.651 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 52.487 51.814 53.090 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 38.067 20.270 -7.774 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 37.155 20.142 -8.035 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 38.390 20.955 -8.359 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 26.272 70.722 -8.062 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 26.027 71.562 -8.449 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 25.453 70.369 -7.714 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 89.687 72.157 7.146 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 89.106 71.534 6.709 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 90.380 72.328 6.507 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 58.958 14.274 -7.077 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 59.643 13.904 -7.634 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 59.403 14.484 -6.256 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 24.963 45.415 23.115 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 25.798 45.037 22.838 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 25.083 45.604 24.046 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 84.102 50.191 54.444 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 83.467 49.766 55.020 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 84.465 50.904 54.970 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 84.273 89.434 19.097 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 83.702 88.753 18.742 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 84.489 89.131 19.979 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 23.370 89.416 6.932 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 22.580 89.434 7.472 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 23.686 90.320 6.940 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 50.068 18.737 -7.776 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 49.665 17.910 -7.510 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 50.877 18.478 -8.217 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 23.308 12.984 -10.059 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 22.505 13.503 -10.104 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 23.835 13.415 -9.386 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 77.425 94.845 30.270 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 76.491 95.024 30.162 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 77.543 94.745 31.215 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 69.008 84.719 15.753 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 68.224 84.239 16.020 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 68.889 84.871 14.815 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 35.853 31.046 -4.930 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 36.151 30.253 -5.376 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 35.146 30.748 -4.358 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 45.336 79.661 53.087 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 45.438 78.732 53.296 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 45.866 80.114 53.742 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 34.103 61.989 33.443 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 34.083 61.557 32.590 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 34.323 62.900 33.246 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 53.327 22.750 -13.981 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 53.041 23.395 -13.334 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 54.275 22.870 -14.036 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 32.174 66.742 54.524 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 32.389 66.181 53.779 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 31.220 66.822 54.497 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 45.031 65.557 48.037 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 44.619 66.361 48.353 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 45.940 65.621 48.332 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 64.525 89.986 9.071 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 64.910 90.329 8.265 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 63.658 90.390 9.114 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 89.389 57.702 17.552 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 89.452 57.104 18.297 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 88.449 57.819 17.417 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 37.293 6.313 20.486 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 37.535 7.232 20.374 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 37.860 5.999 21.190 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 37.541 24.262 -10.602 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 38.358 24.720 -10.406 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 36.898 24.961 -10.725 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 80.343 27.392 29.252 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 81.176 27.863 29.273 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 80.501 26.601 29.766 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 28.214 80.173 13.194 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 27.748 80.796 13.752 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 28.779 79.688 13.795 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 68.973 12.373 57.046 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 69.113 12.798 56.199 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 69.137 11.445 56.879 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 24.094 71.818 2.869 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 23.145 71.691 2.880 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 24.406 71.369 3.654 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 39.930 88.253 39.790 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 40.179 87.414 40.177 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 39.259 88.599 40.379 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 85.588 42.388 4.034 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 84.712 42.548 4.386 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 86.101 43.147 4.314 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 24.317 84.433 53.057 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 24.726 85.280 52.880 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 23.470 84.477 52.614 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 69.690 11.161 -8.453 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 69.384 12.017 -8.154 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 70.068 11.329 -9.316 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 21.571 60.009 54.295 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 20.653 60.109 54.043 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 22.031 60.682 53.794 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 55.419 28.615 41.314 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 55.551 27.857 40.745 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 55.681 29.365 40.779 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 61.450 71.241 25.163 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 60.699 71.823 25.043 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 61.076 70.360 25.146 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 88.334 67.419 49.623 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 87.566 67.614 50.159 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 88.519 68.238 49.161 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 84.457 58.490 54.786 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 84.777 57.589 54.821 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 83.827 58.494 54.065 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 45.591 94.752 -2.684 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 46.079 93.931 -2.745 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 45.200 94.736 -1.811 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 48.519 37.208 9.273 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 48.357 37.277 10.214 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 48.743 36.287 9.135 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 57.470 66.722 29.785 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 57.200 67.297 29.069 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 56.965 65.920 29.653 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 38.552 87.883 21.512 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 38.783 87.076 21.972 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 38.136 87.587 20.702 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 88.090 82.561 50.269 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 88.749 82.255 49.645 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 88.239 83.504 50.331 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 83.174 37.949 24.189 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 83.005 38.752 24.682 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 83.818 38.204 23.528 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 37.531 83.061 29.546 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 37.360 82.247 30.020 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 36.662 83.407 29.342 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 40.173 35.607 41.798 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 39.845 36.503 41.871 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 40.819 35.645 41.092 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 49.563 82.472 54.558 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 49.926 82.274 53.694 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 50.040 81.897 55.156 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 36.175 70.203 -2.530 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 36.249 70.724 -1.731 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 36.552 69.354 -2.300 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 71.640 80.152 19.937 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 72.186 79.380 20.082 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 71.772 80.371 19.015 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 71.696 9.148 51.067 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 71.016 8.683 51.554 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 71.220 9.793 50.545 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 22.452 77.972 63.750 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 23.125 77.657 64.353 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 22.275 78.868 64.034 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 39.660 70.932 4.748 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 39.667 70.040 5.097 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 38.826 71.298 5.042 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 25.882 35.365 0.768 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 26.257 34.627 1.248 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 26.107 36.133 1.294 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 66.118 4.199 8.765 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 65.738 4.594 9.550 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 65.390 4.147 8.145 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 42.522 48.913 61.457 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 43.122 49.625 61.679 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 43.012 48.369 60.842 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 82.856 35.051 44.094 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 83.812 35.089 44.123 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 82.659 34.142 43.868 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 53.214 61.584 8.346 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 53.235 62.169 9.104 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 53.784 60.855 8.589 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 36.279 68.641 43.837 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 36.072 68.240 42.993 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 37.185 68.936 43.747 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 53.378 92.294 10.035 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 52.985 92.195 9.168 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 52.653 92.566 10.597 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 61.362 86.129 29.498 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 61.008 86.844 28.970 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 60.860 86.159 30.312 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 38.900 51.186 66.993 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 39.747 51.109 66.555 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 38.258 51.006 66.307 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 55.412 82.214 35.969 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 56.094 81.550 35.867 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 55.002 82.271 35.105 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 83.443 15.318 59.259 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 83.664 14.733 58.534 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 83.546 14.778 60.043 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 65.947 62.308 36.421 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 65.648 62.809 35.662 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 65.144 61.966 36.814 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 53.872 91.209 -18.075 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 53.199 90.550 -17.904 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 53.854 91.329 -19.025 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 89.873 48.718 58.493 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 89.012 49.089 58.685 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 89.826 47.820 58.820 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 82.416 3.016 6.257 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 82.014 3.069 5.390 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 82.858 3.857 6.369 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 35.538 76.072 47.972 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 36.327 75.844 48.464 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 34.856 76.158 48.638 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 50.633 50.552 -3.816 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 50.675 51.167 -3.083 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 50.123 49.815 -3.480 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 62.143 47.073 43.698 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 62.012 46.701 42.826 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 62.928 47.614 43.614 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 29.344 22.353 63.618 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 29.787 21.553 63.335 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 28.790 22.595 62.875 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 35.908 60.794 11.248 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 36.459 61.077 10.518 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 36.355 61.125 12.028 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 73.452 76.540 -13.567 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 73.483 76.793 -12.644 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 72.730 75.914 -13.619 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 24.353 24.518 20.328 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 24.302 25.465 20.458 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 24.234 24.149 21.203 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 41.270 95.041 8.185 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 41.419 94.095 8.194 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 41.737 95.350 7.410 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 51.942 70.612 64.473 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 51.477 71.222 65.046 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 51.811 69.755 64.879 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 35.519 61.707 44.883 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 35.260 62.392 44.266 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 36.321 62.040 45.287 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 35.177 28.849 3.551 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 34.309 28.889 3.151 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 35.068 29.268 4.405 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 32.412 36.434 -11.795 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 33.113 36.644 -12.412 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 32.727 35.660 -11.329 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 21.987 84.974 -15.810 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 22.379 84.304 -15.249 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 22.637 85.124 -16.496 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 76.698 25.111 -5.251 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 76.889 26.023 -5.033 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 75.768 25.109 -5.478 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 68.324 90.294 50.399 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 68.483 90.593 51.294 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 68.981 90.750 49.872 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 31.034 6.141 -14.383 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 31.728 5.521 -14.609 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 31.497 6.946 -14.152 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 45.270 60.216 -16.797 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 46.178 60.164 -16.499 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 44.764 59.797 -16.100 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 78.267 78.454 45.543 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 79.219 78.522 45.477 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 77.994 78.071 44.710 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 50.699 74.295 42.943 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 50.143 74.622 43.650 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 50.142 74.328 42.165 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 58.983 28.758 64.921 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 59.473 29.560 64.742 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 59.654 28.102 65.108 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 68.862 9.662 56.906 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 69.186 9.091 57.603 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 68.076 9.222 56.581 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 73.024 35.077 -1.606 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 72.257 35.309 -2.129 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 72.664 34.659 -0.824 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 60.129 37.903 -4.467 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 59.433 37.978 -3.814 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 60.439 38.800 -4.592 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 87.559 41.872 -10.773 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 87.738 40.937 -10.676 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 86.719 41.909 -11.230 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 54.991 13.146 39.268 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 55.045 13.938 38.734 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 54.053 13.004 39.394 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 61.048 22.827 -11.342 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 61.043 23.697 -10.943 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 61.080 22.223 -10.600 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 39.819 43.717 64.536 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 40.712 43.870 64.847 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 39.865 42.877 64.079 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 82.647 73.189 39.695 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 83.121 72.372 39.845 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 83.317 73.804 39.395 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 68.385 52.107 22.638 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 67.959 52.838 22.190 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 67.770 51.858 23.328 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 57.917 94.422 16.731 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 57.082 94.858 16.900 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 58.022 93.814 17.463 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 79.529 81.842 -2.523 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 80.256 81.230 -2.411 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 78.876 81.558 -1.883 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 89.200 41.597 -6.022 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 89.220 42.108 -6.831 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 89.767 40.846 -6.199 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 74.125 91.590 29.484 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 75.006 91.507 29.848 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 73.542 91.407 30.221 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 30.471 82.281 16.076 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 31.145 82.064 16.721 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 29.801 81.608 16.194 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 51.067 59.029 44.689 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 50.419 59.688 44.441 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 51.909 59.473 44.595 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 28.121 65.589 -5.792 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 28.782 64.897 -5.795 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 28.247 66.038 -4.956 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 49.492 49.177 41.624 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 49.156 49.905 42.148 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 48.753 48.916 41.075 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 25.598 48.518 40.833 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 25.505 47.644 40.453 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 25.738 48.361 41.766 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 53.443 86.344 19.888 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 52.542 86.234 20.194 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 53.381 86.285 18.934 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 48.575 83.709 -19.109 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 48.129 83.063 -19.657 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 47.878 84.101 -18.584 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 46.086 68.394 50.807 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 46.845 68.732 50.331 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 45.456 68.168 50.123 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 43.201 58.573 9.191 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 43.260 59.051 10.018 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 43.684 57.762 9.347 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 42.160 26.577 30.283 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 41.659 27.392 30.253 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 42.939 26.793 30.795 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 80.519 91.607 -16.050 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 80.190 92.505 -16.065 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 81.458 91.698 -15.889 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 89.092 13.341 2.674 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 89.492 14.007 3.231 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 89.823 12.971 2.178 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 71.224 39.728 5.309 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 71.502 38.870 4.990 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 71.835 39.931 6.017 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 41.937 74.585 6.745 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 42.025 74.092 5.929 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 42.683 74.305 7.276 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 77.781 31.331 -14.293 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 77.847 32.014 -13.625 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 77.071 30.766 -13.989 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 33.072 72.108 -7.395 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 32.754 72.046 -6.494 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 32.334 71.818 -7.931 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 38.310 48.223 61.193 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 37.571 48.495 60.648 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 38.346 47.272 61.089 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 43.813 87.517 24.954 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 44.283 87.113 24.225 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 43.190 88.113 24.538 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 25.645 19.667 63.579 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 25.494 19.957 62.680 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 24.839 19.893 64.043 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 27.866 71.959 11.522 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 27.678 71.032 11.376 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 27.215 72.237 12.166 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 70.599 24.338 35.312 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 70.720 23.649 35.965 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 69.899 24.012 34.746 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 22.940 49.138 49.334 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 23.220 48.379 48.821 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 22.333 48.779 49.981 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 69.324 42.904 30.507 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 68.795 42.476 31.180 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 68.729 43.009 29.765 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 49.481 92.142 22.805 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 49.072 92.396 23.632 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 49.208 91.234 22.672 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 63.573 70.471 66.421 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 63.312 70.199 67.301 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 63.193 71.343 66.316 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 62.462 1.488 -4.799 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 63.221 2.065 -4.877 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 61.820 2.000 -4.307 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 27.089 32.643 39.064 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 26.228 32.565 38.654 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 27.670 32.131 38.502 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 77.134 23.270 14.688 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 76.694 24.094 14.900 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 76.463 22.600 14.821 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 80.223 84.631 49.895 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 79.480 84.173 50.288 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 80.684 83.956 49.397 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 83.400 83.487 4.436 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 83.520 83.450 5.385 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 83.957 82.787 4.096 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 78.717 71.509 47.420 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 78.886 72.022 48.210 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 78.043 72.003 46.953 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 72.522 66.680 39.146 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 71.603 66.752 38.888 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 72.936 67.461 38.778 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 64.400 52.823 29.842 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 63.738 52.837 30.533 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 64.189 53.577 29.292 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 56.394 46.959 46.464 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 56.141 46.272 47.081 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 57.106 46.574 45.953 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 54.352 22.408 -19.194 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 53.452 22.177 -19.424 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 54.279 23.262 -18.768 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 61.309 9.558 2.463 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 61.803 9.127 1.766 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 61.774 10.381 2.613 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 51.653 28.912 3.191 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 51.158 29.196 3.959 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 52.569 28.968 3.462 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 43.066 15.636 -18.663 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 43.612 15.605 -17.878 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 43.181 14.777 -19.070 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 40.334 36.160 -17.433 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 39.598 36.763 -17.537 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 40.720 36.397 -16.590 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 31.027 73.093 -18.604 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 31.914 73.383 -18.393 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 30.839 72.407 -17.964 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 38.587 88.649 14.219 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 38.473 88.293 15.100 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 38.754 87.883 13.670 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 35.179 59.317 -18.629 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 35.799 59.933 -18.239 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 35.487 58.455 -18.348 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 37.586 57.362 66.549 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 37.917 57.221 67.436 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 36.945 56.663 66.418 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 47.291 13.263 53.890 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 46.785 13.304 53.078 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 48.200 13.173 53.602 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 28.386 71.721 53.563 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 28.189 72.516 54.059 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 29.202 71.920 53.105 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 36.933 80.951 16.478 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 36.028 80.640 16.510 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 37.418 80.335 17.027 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 26.888 39.568 35.729 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 27.308 40.204 35.149 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 25.980 39.864 35.793 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 86.850 74.259 37.577 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 87.093 73.608 36.919 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 86.458 74.973 37.075 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 63.761 65.576 -11.202 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 63.458 64.679 -11.065 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 63.635 65.733 -12.138 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 87.423 62.211 35.607 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 87.973 61.957 34.866 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 88.038 62.559 36.254 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 56.827 36.271 3.807 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 57.459 36.153 4.516 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 56.730 37.219 3.726 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 32.136 9.243 26.902 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 31.776 8.696 26.205 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 31.575 9.068 27.658 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 77.451 60.624 17.043 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 76.510 60.504 16.916 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 77.856 60.061 16.384 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 43.244 81.067 14.867 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 42.292 81.164 14.866 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 43.391 80.140 14.682 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 84.121 70.965 34.290 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 83.698 71.283 33.492 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 85.012 71.310 34.243 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 59.184 81.292 49.498 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 58.319 80.902 49.374 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 59.129 82.141 49.059 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 45.093 48.574 -4.953 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 45.653 49.015 -5.593 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 45.049 49.181 -4.214 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 74.120 71.085 56.166 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 74.465 70.815 55.315 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 73.779 71.967 56.018 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 22.101 58.146 -12.759 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 22.219 59.094 -12.701 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 21.389 58.031 -13.388 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 56.614 16.982 24.920 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 57.023 17.534 25.586 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 55.766 17.393 24.755 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 81.153 62.469 38.072 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 80.293 62.639 38.455 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 81.625 63.296 38.165 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 84.916 81.680 24.747 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 84.146 81.941 25.252 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 85.588 81.508 25.406 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 81.307 34.062 14.554 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 80.958 34.686 13.918 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 82.087 33.702 14.133 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 49.712 95.480 58.316 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 48.811 95.217 58.502 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 49.864 96.236 58.883 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 33.590 16.051 16.226 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 34.058 16.661 15.656 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 33.858 16.297 17.112 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 26.307 71.189 24.761 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 26.745 70.415 25.117 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 26.927 71.903 24.906 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 67.649 35.869 -2.820 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 67.611 36.579 -3.461 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 67.030 35.217 -3.147 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 62.904 38.884 -6.462 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 62.815 38.247 -5.753 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 63.419 39.596 -6.082 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 64.343 14.230 16.015 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 63.445 14.421 16.286 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 64.318 13.317 15.728 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 78.654 92.197 62.588 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 78.376 91.950 61.706 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 78.691 91.371 63.069 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 67.460 50.166 -3.869 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 66.748 50.487 -4.422 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 68.067 50.903 -3.806 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 75.442 91.711 50.208 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 76.211 91.974 49.703 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 75.727 90.938 50.695 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 89.487 38.266 -13.810 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 90.026 37.548 -13.482 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 90.005 38.653 -14.516 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 46.240 8.614 52.353 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 46.788 8.348 53.091 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 46.257 7.862 51.760 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 71.487 70.747 6.390 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 70.934 71.473 6.099 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 71.140 69.982 5.930 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 46.066 75.913 45.162 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 45.945 75.206 45.796 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 45.786 75.537 44.327 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 23.583 80.267 -17.365 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 23.361 80.550 -16.478 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 23.379 79.332 -17.377 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 49.447 40.313 58.993 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 48.811 39.959 58.371 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 49.997 40.894 58.469 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 22.489 84.284 4.539 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 21.563 84.459 4.370 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 22.533 83.338 4.678 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 29.561 73.354 34.702 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 30.180 73.599 34.015 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 30.106 72.981 35.395 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 22.762 77.714 0.023 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 22.200 78.000 -0.697 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 22.153 77.465 0.718 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 71.271 94.426 33.255 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 71.607 93.613 33.632 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 70.492 94.160 32.766 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 55.903 83.678 47.625 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 55.316 84.414 47.798 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 55.420 83.125 47.011 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 83.573 84.497 0.902 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 83.575 85.253 1.489 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 84.102 83.840 1.355 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 75.198 85.499 57.172 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 74.676 84.741 57.434 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 76.075 85.147 57.023 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 86.591 89.066 -19.517 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 86.694 88.157 -19.801 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 86.953 89.083 -18.631 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 28.288 76.510 19.714 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 28.406 75.561 19.762 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 28.179 76.691 18.780 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 72.177 44.329 65.345 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 72.494 45.211 65.151 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 71.224 44.402 65.300 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 64.353 66.585 -8.490 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 64.560 65.881 -7.875 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 64.248 66.143 -9.333 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 56.696 63.221 -5.471 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 56.273 62.925 -4.665 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 57.629 63.063 -5.325 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 54.832 92.904 29.186 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 55.330 93.480 29.766 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 55.498 92.412 28.706 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 42.517 73.113 -8.251 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 42.859 74.007 -8.252 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 43.025 72.662 -7.577 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 51.270 83.261 8.427 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 51.929 82.572 8.505 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 50.565 82.987 9.013 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 62.703 82.922 -0.363 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 62.187 82.127 -0.497 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 63.180 83.039 -1.185 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 88.423 50.953 42.247 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 87.765 50.878 42.938 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 88.112 51.672 41.696 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 69.393 3.135 45.503 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 69.171 2.212 45.382 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 68.994 3.370 46.341 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 36.168 64.102 55.709 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 35.399 64.589 56.006 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 36.583 64.677 55.066 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 42.708 5.694 54.549 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 42.061 5.006 54.710 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 42.801 5.716 53.597 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 75.713 76.561 8.226 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 75.868 75.616 8.226 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 75.348 76.744 9.092 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 69.387 92.541 -18.107 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 68.600 93.053 -18.290 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 69.201 92.103 -17.277 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 69.736 32.556 2.405 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 69.391 33.005 1.634 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 70.204 33.236 2.890 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 65.897 55.614 -8.852 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 66.837 55.487 -8.728 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 65.760 55.491 -9.791 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 20.599 46.266 53.489 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 20.336 46.805 54.236 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 21.504 46.524 53.314 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 43.337 74.998 50.325 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 44.196 75.375 50.134 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 43.244 74.283 49.696 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 47.578 8.886 -4.967 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 46.844 8.645 -4.402 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 47.192 9.461 -5.628 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 70.837 57.328 50.297 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 70.189 57.553 49.630 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 71.315 58.143 50.451 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 68.940 1.306 -4.809 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 69.692 1.275 -5.400 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 69.186 0.739 -4.078 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 70.339 73.346 9.338 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 70.276 73.606 10.257 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 69.434 73.335 9.028 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 25.970 80.283 1.386 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 25.351 80.982 1.597 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 25.705 79.551 1.942 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 89.577 35.818 10.216 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 88.798 36.166 9.781 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 90.310 36.231 9.760 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 72.892 85.839 18.568 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 72.235 86.088 17.917 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 72.409 85.801 19.394 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 83.216 31.003 52.144 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 83.932 31.614 52.315 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 82.631 31.103 52.895 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 87.610 96.724 34.970 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 87.033 96.760 34.207 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 87.584 95.808 35.247 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 53.752 74.793 29.426 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 53.873 74.105 30.081 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 53.740 74.327 28.590 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 30.891 88.597 25.103 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 30.804 88.047 25.882 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 31.778 88.426 24.787 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 48.048 41.705 1.100 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 47.424 41.278 1.687 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 48.552 42.287 1.668 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 34.074 78.764 9.900 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 33.463 78.347 10.507 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 34.605 78.043 9.560 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 57.888 35.751 64.052 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 58.732 35.313 63.947 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 57.498 35.734 63.178 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 44.490 82.772 34.356 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 45.418 82.998 34.422 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 44.486 81.859 34.068 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 30.483 82.834 24.845 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 29.890 82.890 25.594 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 30.042 83.325 24.152 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 88.539 85.213 64.385 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 89.154 84.544 64.085 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 87.999 84.768 65.038 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 37.809 12.249 58.207 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 38.513 11.680 57.896 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 37.553 11.876 59.051 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 21.277 92.464 58.056 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 22.114 92.392 58.515 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 20.848 93.220 58.455 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 84.145 31.155 -12.508 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 84.368 31.814 -13.166 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 83.220 30.965 -12.663 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 51.073 0.803 35.058 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 50.803 1.298 34.285 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 51.157 -0.099 34.749 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 22.987 66.605 -6.056 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 22.790 65.980 -6.753 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 23.708 66.203 -5.570 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 40.188 60.230 37.631 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 39.736 61.005 37.963 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 41.044 60.248 38.060 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 44.737 84.751 43.170 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 45.533 84.648 43.692 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 44.956 84.371 42.320 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 46.234 83.027 44.777 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 46.950 82.456 45.058 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 45.838 83.334 45.592 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 42.147 21.092 -9.728 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 42.931 20.643 -10.044 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 41.452 20.806 -10.321 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 86.118 68.221 -8.742 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 86.444 68.599 -7.924 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 85.766 68.968 -9.227 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 61.795 14.215 16.585 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 61.469 15.076 16.321 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 61.267 13.595 16.081 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 66.492 53.347 38.758 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 66.064 54.160 39.025 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 65.773 52.727 38.635 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 63.636 52.913 53.258 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 63.183 52.522 52.511 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 63.956 53.754 52.931 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 74.110 95.607 52.278 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 73.550 94.979 52.733 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 73.633 96.435 52.330 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 51.019 89.784 20.062 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 51.355 89.356 20.850 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 51.322 90.689 20.134 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 48.318 10.175 47.592 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 48.155 11.014 47.162 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 47.460 9.900 47.915 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 32.524 61.068 10.138 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 33.189 61.699 9.863 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 32.786 60.812 11.022 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 68.587 49.220 9.634 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 67.749 49.604 9.890 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 68.832 48.664 10.374 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 44.584 45.439 53.825 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 45.048 45.975 53.181 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 44.166 46.073 54.407 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 71.701 43.119 20.945 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 72.447 43.030 20.352 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 70.934 43.093 20.373 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 77.761 58.047 0.874 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 77.710 58.889 1.328 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 77.122 58.118 0.166 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 61.760 33.543 35.212 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 62.336 33.983 34.587 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 60.877 33.807 34.952 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 47.908 66.824 31.122 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 48.068 66.261 30.364 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 48.664 67.410 31.151 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 20.217 90.879 2.509 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 20.032 90.114 3.055 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 21.173 90.919 2.468 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 34.704 52.613 31.949 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 35.561 52.360 32.293 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 34.759 53.562 31.841 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 63.580 17.086 -10.034 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 63.912 17.798 -9.487 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 63.714 17.390 -10.932 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 21.093 90.226 60.830 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 21.961 90.253 61.233 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 20.611 89.577 61.343 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 38.905 59.593 62.789 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 38.742 58.984 62.069 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 39.486 60.256 62.417 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 37.818 59.783 56.309 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 37.939 59.829 55.361 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 37.754 60.697 56.587 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 72.333 89.857 13.391 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 72.272 90.789 13.602 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 72.408 89.423 14.240 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 78.760 9.130 -2.316 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 78.842 10.048 -2.574 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 79.532 8.706 -2.690 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 35.278 25.658 1.504 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 34.651 25.171 0.970 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 35.007 25.490 2.407 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 82.676 93.449 36.473 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 83.293 94.143 36.709 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 82.587 93.520 35.523 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 77.331 80.469 21.663 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 77.751 79.611 21.728 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 76.395 80.275 21.606 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 59.856 69.956 -1.132 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 60.040 69.960 -0.192 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 58.900 69.965 -1.190 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 86.104 72.886 7.981 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 86.183 72.749 7.037 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 86.558 73.714 8.142 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 46.418 90.467 56.887 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 45.635 90.957 57.135 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 46.356 89.649 57.381 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 63.683 80.659 35.677 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 64.327 80.301 35.066 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 62.842 80.538 35.238 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 59.815 60.097 35.458 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 59.189 59.674 36.047 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 59.467 59.933 34.581 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 88.274 69.778 27.162 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 87.381 69.693 27.498 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 88.214 69.496 26.249 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 29.482 20.909 29.168 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 29.671 19.971 29.144 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 30.157 21.304 28.616 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 27.412 66.254 19.978 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 27.357 65.333 19.720 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 28.284 66.343 20.363 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 57.322 78.871 25.165 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 56.646 78.691 25.819 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 57.985 78.196 25.314 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 84.311 68.857 22.829 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 83.796 68.069 22.652 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 84.779 68.659 23.641 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 41.142 28.870 51.308 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 41.279 27.938 51.138 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 41.792 29.091 51.974 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 57.378 55.091 -8.933 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 57.208 54.155 -8.834 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 56.512 55.482 -9.045 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 33.604 4.740 22.646 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 33.016 5.386 23.038 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 33.429 4.796 21.706 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 35.415 59.151 -2.083 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 34.653 59.375 -1.548 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 36.127 59.043 -1.453 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 31.679 75.549 27.431 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 31.782 76.501 27.434 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 32.395 75.229 27.979 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 34.527 95.684 -2.328 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 35.020 95.888 -1.533 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 33.622 95.909 -2.113 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 67.029 86.998 3.265 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 66.826 87.888 3.553 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 67.590 86.644 3.955 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 77.375 4.560 -18.696 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 76.644 5.142 -18.905 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 77.504 4.667 -17.754 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 78.494 2.730 3.563 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 78.640 1.789 3.653 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 77.622 2.874 3.931 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 32.761 63.316 49.903 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 33.292 64.111 49.862 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 33.293 62.649 49.469 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 60.533 62.826 30.234 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 60.355 63.555 30.828 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 59.749 62.279 30.285 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 25.981 30.973 55.424 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 26.230 30.904 54.502 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 25.620 31.855 55.510 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 37.339 95.011 -11.235 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 37.182 95.723 -10.614 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 38.140 94.591 -10.922 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 50.573 90.756 2.464 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 49.765 90.597 2.953 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 50.922 89.883 2.287 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 29.417 56.865 13.179 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 29.166 57.725 12.841 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 30.373 56.864 13.145 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 76.636 56.317 4.652 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 76.203 56.088 5.474 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 77.062 57.156 4.831 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 89.880 43.947 -9.036 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 90.592 43.374 -8.752 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 89.113 43.634 -8.556 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 57.915 20.821 3.493 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 57.498 21.497 4.026 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 58.732 21.221 3.193 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 36.245 61.260 16.086 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 36.913 61.890 15.814 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 36.713 60.638 16.643 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 34.355 71.779 35.023 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 35.292 71.967 35.080 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 34.259 71.285 34.209 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 61.407 65.133 -4.964 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 61.329 64.902 -5.889 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 61.270 64.308 -4.498 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 49.674 67.388 51.999 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 50.502 67.847 52.141 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 49.515 67.468 51.058 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 81.045 71.514 -15.003 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 80.689 72.145 -14.378 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 81.597 72.037 -15.584 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 36.930 15.271 7.839 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 37.173 16.068 7.369 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 37.234 15.418 8.734 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 89.592 4.205 12.138 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 89.924 3.975 13.006 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 88.690 3.884 12.133 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 30.499 85.816 -14.507 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 31.354 86.223 -14.370 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 30.383 85.814 -15.457 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 68.489 65.072 66.404 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 68.165 64.377 66.976 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 67.702 65.441 66.004 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 26.205 93.293 57.395 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 27.129 93.115 57.570 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 25.999 92.758 56.629 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 85.161 45.315 -0.792 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 84.607 44.545 -0.661 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 84.573 46.058 -0.660 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 37.582 22.912 -0.198 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 37.807 23.828 -0.037 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 38.199 22.416 0.341 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 69.640 68.984 48.370 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 69.004 68.272 48.303 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 69.734 69.307 47.474 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 55.214 86.135 -2.395 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 55.622 85.400 -1.938 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 54.394 85.779 -2.737 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 32.605 41.090 1.623 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 33.441 41.449 1.325 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 32.773 40.154 1.738 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 21.445 76.457 61.290 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 22.140 76.262 60.661 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 21.899 76.845 62.038 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 32.121 79.321 43.617 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 32.324 78.388 43.680 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 32.109 79.626 44.525 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 83.236 29.741 27.029 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 83.155 29.387 27.915 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 84.170 29.678 26.830 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 45.611 88.624 49.268 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 46.468 88.352 48.940 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 45.394 87.977 49.939 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 29.276 5.914 42.697 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 29.052 6.747 43.110 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 30.233 5.896 42.694 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 51.049 52.636 35.717 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 51.247 53.141 36.505 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 51.238 53.235 34.994 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 84.552 38.037 44.201 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 84.845 37.187 44.530 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 85.360 38.497 43.972 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 86.884 94.165 7.918 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 86.280 93.434 7.788 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 86.321 94.937 7.957 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 57.232 72.721 29.267 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 57.053 72.489 28.356 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 57.188 71.889 29.739 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 60.440 92.797 5.853 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 60.757 93.668 5.617 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 60.388 92.810 6.809 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 26.382 17.756 7.141 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 27.173 18.237 6.899 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 25.680 18.187 6.653 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 36.407 83.403 42.265 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 37.183 83.833 42.623 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 36.731 82.916 41.507 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 37.958 71.305 63.886 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 37.685 71.944 64.545 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 37.180 71.173 63.343 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 55.218 32.317 -15.019 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 55.381 33.171 -15.418 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 55.149 31.715 -15.761 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 87.156 74.609 -19.312 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 86.491 74.538 -19.997 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 87.621 75.421 -19.513 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 69.005 75.763 46.111 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 68.663 74.983 46.547 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 69.519 75.423 45.379 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 43.115 76.562 22.674 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 43.733 75.855 22.860 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 43.432 77.301 23.192 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 73.933 82.316 14.174 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 74.542 82.463 13.451 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 73.677 81.397 14.089 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 85.602 68.979 25.351 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 85.427 68.432 26.117 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 86.556 69.002 25.284 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 64.904 8.389 31.252 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 65.470 8.948 31.786 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 64.690 8.925 30.488 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 53.818 85.075 26.847 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 54.054 85.849 27.358 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 53.415 84.482 27.481 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 77.537 76.701 26.484 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 77.260 75.785 26.470 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 76.767 77.180 26.791 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 37.004 73.377 1.369 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 37.722 72.756 1.494 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 36.478 73.299 2.165 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 65.303 51.780 -4.964 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 65.503 52.448 -5.620 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 64.397 51.957 -4.710 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 85.322 26.259 -13.069 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 86.080 25.973 -13.578 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 84.621 26.356 -13.714 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 35.466 89.284 -4.866 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 36.383 89.508 -4.707 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 35.499 88.430 -5.296 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 39.632 63.860 36.167 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 40.332 64.368 35.758 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 39.893 63.787 37.085 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 57.609 77.280 38.416 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 57.868 76.860 39.236 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 56.838 76.790 38.129 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 46.942 42.617 41.751 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 46.053 42.946 41.617 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 47.162 42.179 40.930 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 47.276 49.619 61.036 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 48.021 50.200 61.192 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 46.634 50.169 60.586 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 44.422 81.367 11.834 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 44.854 81.773 12.586 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 44.863 80.524 11.731 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 83.588 83.990 28.823 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 83.456 83.688 29.722 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 84.488 83.741 28.615 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 70.205 20.732 58.243 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 70.114 20.529 59.174 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 69.451 21.286 58.043 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 29.393 1.452 -15.275 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 29.560 1.701 -16.184 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 29.405 0.495 -15.282 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 71.814 61.118 2.539 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 72.475 61.760 2.799 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 71.548 60.702 3.359 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 88.601 32.260 18.688 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 88.874 31.461 19.137 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 88.489 31.996 17.775 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 88.518 39.914 3.851 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 89.351 39.502 3.620 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 88.296 40.451 3.090 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 88.613 85.395 50.149 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 88.845 86.234 49.752 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 87.915 85.607 50.768 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 80.188 33.218 7.620 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 80.349 34.087 7.253 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 79.843 33.388 8.497 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 71.316 81.700 57.976 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 71.576 82.391 58.585 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 71.119 80.949 58.536 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 30.987 20.421 -18.832 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 31.013 20.887 -17.997 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 31.776 19.878 -18.828 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 37.918 4.142 17.504 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 38.499 3.995 18.250 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 38.243 3.550 16.826 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 28.497 81.250 -16.504 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 27.822 81.920 -16.615 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 29.132 81.432 -17.197 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 89.344 84.606 35.432 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 89.337 84.962 34.543 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 88.526 84.113 35.499 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 57.214 75.688 28.758 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 57.009 75.130 28.008 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 56.881 75.205 29.514 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 65.726 8.581 19.203 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 66.203 8.675 20.028 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 64.949 8.071 19.432 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 28.183 94.080 -12.796 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 28.209 93.124 -12.789 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 27.376 94.295 -13.265 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 66.727 16.461 47.269 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 65.896 16.125 47.605 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 66.642 17.413 47.326 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 28.735 10.909 -11.979 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 29.142 11.744 -11.747 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 27.972 11.151 -12.503 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 25.134 56.004 47.438 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 25.739 55.416 47.890 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 24.442 56.173 48.077 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 29.022 87.875 2.648 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 29.315 88.748 2.385 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 29.831 87.384 2.791 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 64.244 16.922 8.990 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 64.162 17.000 9.940 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 64.084 15.995 8.811 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 75.844 93.923 -0.694 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 76.290 94.635 -1.152 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 75.423 94.345 0.055 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 26.583 26.287 9.675 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 26.506 26.314 10.629 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 27.177 27.006 9.462 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 24.790 95.964 52.358 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 25.698 95.786 52.113 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 24.491 95.154 52.773 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 58.836 60.456 -10.151 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 58.640 60.932 -9.344 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 58.373 59.624 -10.057 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 36.525 30.943 21.277 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 36.597 31.423 22.102 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 35.695 31.236 20.901 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 35.387 72.870 38.452 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 36.076 72.719 37.804 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 35.141 73.787 38.332 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 25.380 87.288 6.795 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 26.061 87.168 7.456 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 24.965 88.119 7.026 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 57.469 72.976 45.042 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 57.162 72.547 44.243 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 57.895 72.279 45.540 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 67.264 46.147 54.065 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 66.466 46.303 53.560 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 66.962 45.718 54.866 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 83.007 88.011 65.062 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 83.312 87.375 64.415 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 82.108 87.746 65.254 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 22.774 61.970 52.724 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 23.047 62.860 52.504 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 22.363 61.640 51.925 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 58.231 35.048 -1.954 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 58.826 35.513 -1.365 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 57.551 35.689 -2.163 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 42.207 2.362 29.708 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 42.680 2.889 30.351 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 42.269 2.862 28.895 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 66.103 19.444 57.760 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 66.272 20.384 57.821 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 65.825 19.308 56.854 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 73.436 75.175 55.722 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 74.035 75.251 54.979 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 72.917 74.393 55.533 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 83.383 33.896 6.969 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 82.498 33.679 6.678 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 83.789 34.316 6.211 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 90.454 23.628 53.715 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 89.804 24.331 53.707 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 90.324 23.170 52.884 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 41.202 60.057 15.208 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 41.879 60.721 15.339 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 41.024 59.719 16.085 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 84.425 66.671 41.602 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 84.845 65.812 41.566 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 83.631 66.530 42.116 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 34.927 6.885 11.582 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 35.406 6.258 12.123 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 34.061 6.940 11.986 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 86.302 50.617 61.410 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 85.654 50.810 60.732 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 87.118 50.478 60.930 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 25.584 4.165 10.734 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 25.389 3.804 9.869 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 26.539 4.143 10.793 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 66.878 21.223 6.318 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 66.623 21.247 7.240 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 66.568 20.373 6.005 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 49.288 22.525 43.985 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 49.986 23.010 44.425 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 48.963 21.917 44.649 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 47.359 84.535 34.353 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 47.748 84.560 35.227 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 47.984 84.038 33.826 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 69.532 82.612 66.801 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 70.276 83.169 67.027 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 69.449 82.694 65.851 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 77.982 38.274 0.487 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 78.222 37.404 0.804 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 77.316 38.112 -0.181 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 77.360 67.588 53.659 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 78.261 67.275 53.576 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 76.959 67.391 52.813 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 65.369 74.434 23.539 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 65.421 74.254 22.601 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 65.285 73.571 23.945 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 23.529 66.602 40.167 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 24.081 65.855 39.935 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 24.145 67.272 40.464 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 83.262 73.393 43.177 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 83.113 73.548 44.109 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 83.653 74.207 42.858 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 89.006 18.571 48.687 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 88.238 19.120 48.529 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 89.110 18.066 47.880 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 45.575 26.646 41.508 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 46.240 26.071 41.128 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 46.036 27.124 42.196 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 48.969 87.858 28.763 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 48.991 87.885 29.719 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 49.111 86.936 28.546 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 36.537 29.791 38.503 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 36.897 30.673 38.408 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 35.588 29.919 38.515 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 27.943 79.174 -5.894 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 27.890 79.240 -4.940 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 27.032 79.126 -6.182 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 47.347 75.675 1.410 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 46.863 75.455 2.206 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 46.981 75.099 0.739 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 58.074 75.146 6.559 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 57.702 74.291 6.775 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 57.661 75.750 7.176 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 45.181 76.898 52.658 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 45.219 76.586 51.754 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 46.029 76.660 53.031 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 88.358 68.901 36.892 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 89.306 69.029 36.884 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 88.188 68.317 36.153 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 51.065 83.236 18.680 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 50.770 82.498 19.213 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 51.250 83.930 19.313 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 71.645 72.160 12.575 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 71.376 73.016 12.909 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 71.017 71.966 11.879 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 39.231 8.200 11.388 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 38.665 8.738 10.834 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 38.904 8.344 12.276 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 83.376 66.102 4.003 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 83.292 65.889 4.932 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 83.833 65.351 3.625 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 24.150 76.144 25.678 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 23.616 75.749 24.988 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 24.185 75.478 26.364 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 63.058 19.509 22.210 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 62.132 19.703 22.354 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 63.317 20.093 21.497 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 46.925 34.187 -12.210 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 46.961 34.021 -11.268 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 47.835 34.353 -12.459 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 44.346 3.054 -6.407 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 44.627 2.702 -5.562 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 43.816 2.358 -6.793 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 73.251 4.445 6.362 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 72.661 4.348 5.614 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 73.350 3.558 6.707 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 60.884 24.452 55.239 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 60.765 23.613 54.794 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 60.332 25.063 54.751 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 30.779 9.844 1.299 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 31.389 9.745 2.030 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 31.340 9.938 0.529 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 81.358 91.314 -19.380 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 82.254 91.366 -19.046 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 81.370 91.835 -20.182 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 72.810 31.866 65.200 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 73.530 31.274 65.418 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 73.179 32.742 65.306 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 37.442 88.844 64.780 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 38.209 89.397 64.929 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 37.448 88.673 63.838 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 85.799 68.977 18.610 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 85.748 69.592 19.342 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 85.974 68.130 19.019 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 68.567 22.696 4.323 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 68.046 23.413 3.961 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 67.933 22.152 4.790 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 77.380 82.593 -4.145 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 77.987 81.953 -3.772 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 76.512 82.221 -3.988 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 21.360 75.234 11.653 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 21.666 74.332 11.554 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 20.585 75.164 12.210 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 65.925 18.521 7.839 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 65.302 17.838 8.090 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 66.014 19.064 8.623 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 81.505 53.169 -7.388 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 82.219 53.054 -8.015 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 81.702 53.997 -6.949 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 60.350 78.723 -0.432 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 60.087 77.921 0.018 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 60.663 79.299 0.265 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 67.209 95.275 18.296 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 68.159 95.323 18.184 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 66.903 94.775 17.540 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 30.718 84.838 54.399 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 30.805 85.697 54.812 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 31.446 84.327 54.754 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 25.392 23.752 23.061 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 25.761 23.100 22.465 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 25.924 23.681 23.854 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 37.371 11.711 61.133 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 36.702 11.557 61.800 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 38.179 11.376 61.521 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 34.485 32.958 -16.935 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 33.776 32.715 -16.339 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 34.991 33.611 -16.451 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 66.423 59.942 15.583 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 66.380 59.070 15.191 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 66.628 59.780 16.504 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 58.784 58.587 30.533 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 58.881 57.846 29.935 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 58.200 59.191 30.074 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 78.744 44.714 65.077 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 78.606 45.235 64.286 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 78.528 43.819 64.816 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 77.647 38.535 7.264 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 77.152 37.927 7.812 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 78.458 38.688 7.747 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 35.626 76.374 -6.938 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 34.741 76.737 -6.911 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 35.628 75.806 -7.708 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 31.931 14.014 15.363 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 31.555 13.291 15.864 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 32.298 14.600 16.025 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 61.835 73.090 -9.606 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 62.007 73.118 -8.665 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 60.881 73.131 -9.677 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 45.017 71.632 -13.623 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 44.766 71.019 -12.933 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 44.188 71.995 -13.936 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 63.977 65.903 45.997 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 63.170 65.451 46.242 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 63.799 66.255 45.125 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 58.299 90.690 22.483 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 57.363 90.497 22.532 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 58.567 90.367 21.623 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 32.203 41.366 -6.213 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 31.877 42.103 -5.696 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 31.701 41.405 -7.028 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 51.612 65.265 -10.948 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 51.659 65.772 -10.138 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 51.819 64.369 -10.683 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 83.632 10.978 -11.592 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 82.952 11.466 -12.055 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 84.423 11.506 -11.700 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 45.686 48.197 55.024 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 44.897 48.124 55.560 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 45.483 48.886 54.392 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 58.256 79.169 21.364 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 59.041 79.320 21.892 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 58.508 79.433 20.479 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 51.959 64.066 16.329 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 52.644 63.398 16.339 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 52.011 64.477 17.192 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 67.249 82.591 48.918 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 66.637 82.582 49.653 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 66.916 83.275 48.337 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 74.641 88.388 -2.888 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 74.022 87.699 -2.646 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 74.185 89.204 -2.682 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 63.768 61.027 24.266 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 62.988 60.563 24.570 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 63.928 60.677 23.389 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 33.956 82.762 -19.967 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 34.300 83.608 -19.681 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 33.713 82.316 -19.156 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 49.972 72.368 27.965 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 49.320 71.671 27.891 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 50.561 72.224 27.224 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 29.101 63.458 16.748 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 29.545 64.106 16.201 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 29.459 62.617 16.463 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 41.386 50.626 8.423 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 41.146 50.381 9.317 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 42.197 50.147 8.253 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 86.233 40.946 37.500 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 86.416 41.557 36.786 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 86.395 41.452 38.296 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 27.233 26.896 -13.746 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 26.964 26.034 -13.430 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 27.366 27.412 -12.951 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 78.016 80.145 26.775 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 77.378 79.917 27.452 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 77.492 80.272 25.985 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 83.367 91.373 -16.025 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 84.160 91.900 -16.120 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 83.499 90.632 -16.616 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 57.220 77.900 52.005 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 57.386 78.843 51.997 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 56.622 77.768 52.740 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 42.879 59.796 57.131 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 42.912 59.856 56.176 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 41.980 59.527 57.323 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 42.508 4.652 19.649 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 42.676 4.526 18.715 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 41.670 4.216 19.804 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 44.941 57.862 54.625 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 44.641 57.345 55.372 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 44.678 58.759 54.832 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 46.237 5.315 53.692 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 46.157 4.542 54.251 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 45.637 5.148 52.965 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 79.805 74.726 -4.592 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 79.438 75.496 -4.157 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 80.505 74.432 -4.010 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 54.170 10.729 30.224 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 53.585 11.408 29.886 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 54.016 9.975 29.655 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 60.517 70.532 40.125 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 59.700 71.004 40.286 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 60.470 70.279 39.203 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 81.982 54.002 65.872 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 81.483 53.645 65.137 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 81.634 53.551 66.641 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 64.906 45.099 27.845 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 65.123 46.019 27.695 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 64.453 45.094 28.688 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 30.893 72.996 29.141 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 30.657 72.885 30.062 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 31.842 73.118 29.150 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 89.438 15.245 -6.935 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 89.163 15.232 -6.019 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 90.311 15.639 -6.918 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 57.456 94.110 66.860 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 57.255 93.208 67.110 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 56.716 94.379 66.316 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 52.512 28.722 -2.794 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 52.366 27.837 -3.127 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 51.720 28.925 -2.296 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 41.794 23.057 65.365 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 42.614 22.890 64.900 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 41.983 22.827 66.274 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 33.026 93.185 40.285 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 33.180 92.460 39.679 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 32.156 93.017 40.645 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 36.642 47.805 -19.119 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 37.311 48.206 -19.673 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 35.971 47.505 -19.732 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 84.398 14.058 56.907 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 84.029 14.420 56.101 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 85.233 14.515 57.014 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 31.670 52.475 19.298 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 31.761 53.389 19.566 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 32.140 52.421 18.466 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 88.056 72.735 17.044 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 88.054 72.722 18.001 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 88.804 72.189 16.799 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 49.954 1.882 59.833 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 49.318 2.317 60.402 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 50.779 2.336 60.005 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 50.583 11.719 59.365 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 50.546 10.879 59.821 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 50.362 12.366 60.034 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 87.116 29.070 37.129 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 86.888 28.912 36.213 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 86.275 29.189 37.569 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 52.430 78.476 -12.092 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 52.005 77.997 -11.381 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 53.224 77.974 -12.278 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 30.751 64.463 36.137 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 30.079 64.855 36.694 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 31.414 64.144 36.749 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 48.730 84.114 2.488 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 49.382 83.702 3.055 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 47.977 83.525 2.518 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 33.578 85.506 27.519 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 33.772 85.638 28.447 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 34.344 85.853 27.062 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 50.754 50.635 53.203 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 50.167 51.298 52.840 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 51.023 50.113 52.447 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 62.820 50.569 14.703 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 62.528 51.466 14.867 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 62.594 50.094 15.503 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 44.192 77.489 -16.327 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 43.740 77.827 -17.099 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 43.595 76.834 -15.965 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 49.328 30.759 0.925 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 49.221 30.297 1.756 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 48.651 31.437 0.939 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 36.960 42.001 11.066 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 37.874 41.783 11.245 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 36.462 41.491 11.704 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 87.103 2.459 6.376 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 87.555 1.914 5.732 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 87.270 3.357 6.090 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 66.981 7.955 46.615 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 67.207 7.093 46.266 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 66.074 7.866 46.906 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 74.298 57.742 64.995 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 74.182 57.471 64.084 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 73.408 57.867 65.323 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 27.358 95.462 54.706 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 27.788 94.614 54.815 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 27.442 95.656 53.772 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 39.154 2.821 57.278 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 38.234 2.684 57.507 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 39.598 2.032 57.588 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 78.019 24.413 60.781 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 78.808 23.902 60.965 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 78.078 25.165 61.370 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 25.926 71.420 22.024 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 25.958 71.246 22.964 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 26.262 70.620 21.620 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 68.166 81.434 16.084 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 68.493 80.737 16.653 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 68.134 82.208 16.646 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 89.144 91.936 62.638 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 88.729 92.695 63.048 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 90.033 91.928 62.993 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 71.726 92.441 14.263 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 71.630 91.980 15.096 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 71.562 93.360 14.477 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 43.915 34.553 38.104 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 44.697 35.082 38.260 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 43.334 35.125 37.602 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 46.200 66.695 33.460 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 46.854 66.368 34.077 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 46.623 66.626 32.604 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 75.649 43.944 27.693 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 75.242 44.554 28.308 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 75.779 44.457 26.896 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 67.062 54.062 -17.741 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 66.799 53.619 -18.548 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 66.238 54.315 -17.326 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 76.102 23.911 -10.331 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 76.593 23.090 -10.371 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 75.815 24.063 -11.231 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 46.979 87.061 -3.603 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 46.572 86.424 -3.017 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 46.261 87.373 -4.154 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 46.567 29.910 -2.654 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 46.543 29.206 -2.006 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 46.778 30.695 -2.149 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 53.378 80.172 29.935 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 53.473 79.220 29.967 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 52.448 80.314 29.760 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 77.455 91.189 22.467 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 77.371 92.097 22.760 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 76.996 90.679 23.134 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 74.554 47.075 28.880 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 73.733 46.650 28.633 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 74.368 48.012 28.815 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 22.032 95.803 66.656 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 22.135 95.475 67.550 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 22.125 95.026 66.104 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 85.688 61.259 5.664 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 85.315 61.544 6.498 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 86.631 61.222 5.822 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 32.598 81.503 34.255 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 32.458 81.584 35.199 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 31.850 80.994 33.944 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 23.773 8.666 -8.200 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 23.692 8.135 -7.408 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 23.074 9.316 -8.124 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 56.659 56.334 -1.988 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 56.360 57.241 -1.925 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 57.195 56.202 -1.206 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 82.024 66.487 -15.625 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 81.815 67.013 -14.852 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 81.992 67.108 -16.353 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 38.046 5.807 7.231 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 37.899 5.816 8.177 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 37.765 6.673 6.936 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 35.191 61.291 1.686 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 35.347 62.165 2.044 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 35.087 60.732 2.456 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 41.845 63.974 -10.768 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 42.046 63.133 -10.358 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 40.890 64.038 -10.729 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 54.958 71.252 50.196 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 54.061 71.568 50.305 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 55.496 71.889 50.667 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 78.489 83.484 4.615 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 78.106 84.117 4.008 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 79.364 83.827 4.798 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 76.089 64.463 31.449 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 76.112 63.725 32.059 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 75.261 64.361 30.981 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 23.820 61.306 35.543 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 24.670 61.211 35.112 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 23.691 62.252 35.612 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 75.706 50.570 18.995 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 74.828 50.272 19.232 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 75.797 51.419 19.427 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 77.462 95.179 61.692 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 77.682 95.534 62.553 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 78.093 94.472 61.556 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 24.212 69.482 -9.508 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 23.878 69.296 -8.630 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 24.586 68.651 -9.803 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 43.902 71.441 -6.436 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 44.577 71.452 -5.758 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 43.481 70.586 -6.341 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 34.347 14.274 -6.272 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 34.989 13.696 -5.861 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 33.542 13.757 -6.301 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 76.596 88.777 61.897 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 77.204 89.123 62.550 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 77.053 88.026 61.518 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 40.188 71.536 -15.671 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 39.912 70.621 -15.722 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 39.374 72.036 -15.728 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 62.217 87.620 6.883 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 61.733 87.657 7.708 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 61.540 87.647 6.207 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 31.106 55.552 -15.030 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 31.326 56.399 -15.420 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 31.851 54.990 -15.242 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 49.903 68.371 32.809 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 50.812 68.284 32.522 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 49.915 68.104 33.728 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 85.663 33.218 48.527 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 86.236 32.917 49.232 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 85.173 32.438 48.266 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 48.626 84.318 39.179 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 48.338 84.093 40.064 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 48.815 85.255 39.219 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 41.543 15.894 59.834 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 40.633 15.942 59.539 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 41.722 14.956 59.904 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 90.453 72.509 -8.799 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 89.543 72.519 -8.500 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 90.829 73.317 -8.451 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 58.780 92.109 47.747 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 57.988 91.592 47.892 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 59.174 92.192 48.615 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 37.383 65.812 47.147 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 38.288 65.743 47.450 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 37.440 65.718 46.196 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 75.230 56.948 14.228 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 75.847 56.680 14.910 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 74.882 56.126 13.883 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 28.188 30.680 -14.579 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 27.517 30.645 -15.261 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 28.853 30.053 -14.864 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 46.704 5.511 33.026 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 46.683 4.666 33.476 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 47.482 5.948 33.372 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 20.548 87.492 -5.710 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 20.796 88.205 -6.299 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 20.916 86.707 -6.116 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 45.800 19.714 50.532 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 44.904 20.047 50.593 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 45.735 18.957 49.950 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 76.563 65.669 66.211 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 75.615 65.745 66.320 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 76.679 64.907 65.644 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 35.551 74.203 16.110 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 35.801 73.770 16.927 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 35.276 73.489 15.535 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 85.587 67.144 27.750 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 85.863 67.881 28.295 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 86.406 66.751 27.447 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 33.384 73.258 -1.662 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 34.046 72.818 -1.129 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 33.456 72.845 -2.523 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 54.144 61.680 55.540 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 54.879 61.558 54.938 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 53.654 62.416 55.173 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 27.653 86.407 61.771 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 27.423 85.654 62.315 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 27.227 87.150 62.199 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 29.556 65.848 25.744 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 30.113 65.300 25.191 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 30.132 66.139 26.451 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 50.512 24.309 19.463 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 49.987 25.087 19.275 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 51.419 24.608 19.386 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 64.940 53.047 -10.403 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 64.476 53.457 -9.673 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 64.929 53.708 -11.095 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 22.013 93.476 39.722 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 22.787 92.987 39.443 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 21.674 93.868 38.917 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 35.267 82.607 -5.694 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 34.337 82.419 -5.572 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 35.688 81.747 -5.684 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 88.347 88.764 10.382 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 88.960 88.083 10.660 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 87.635 88.720 11.020 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 36.501 23.940 19.522 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 36.554 24.090 18.578 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 37.026 23.153 19.669 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 63.182 87.403 -13.217 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 62.997 86.540 -13.586 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 62.471 87.555 -12.593 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 73.499 29.974 -10.379 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 73.004 29.565 -11.089 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 74.347 30.187 -10.769 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 56.753 92.855 12.444 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 56.540 93.766 12.241 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 57.467 92.911 13.078 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 85.609 59.878 -5.565 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 86.038 59.023 -5.609 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 86.130 60.374 -4.933 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 51.677 8.001 63.374 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 52.549 7.894 63.753 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 51.747 7.617 62.500 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 49.038 20.934 35.901 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 48.918 19.986 35.959 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 49.017 21.120 34.962 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 87.740 39.573 41.327 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 87.542 40.448 40.993 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 87.741 39.674 42.279 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 25.469 74.285 -12.888 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 25.841 74.664 -12.091 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 25.888 73.427 -12.963 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 21.126 71.943 30.450 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 21.476 72.256 29.616 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 20.590 72.666 30.773 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 25.510 69.575 42.137 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 25.483 69.124 41.294 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 25.945 68.958 42.726 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 47.397 53.141 49.535 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 46.563 53.543 49.294 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 47.652 52.634 48.764 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 24.526 56.269 5.298 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 24.906 56.837 4.628 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 24.073 56.868 5.891 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 89.494 56.983 57.579 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 90.373 57.109 57.222 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 88.945 56.820 56.813 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 90.627 28.315 45.576 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 89.701 28.220 45.799 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 90.894 29.132 45.998 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 74.218 75.310 -3.222 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 73.522 74.696 -2.987 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 74.503 75.681 -2.387 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 73.591 82.415 21.233 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 73.296 82.492 20.325 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 74.023 81.562 21.273 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 30.135 96.077 56.122 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 29.378 96.422 56.596 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 30.388 96.782 55.527 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 27.841 65.331 62.763 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 27.557 66.245 62.750 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 28.606 65.325 63.338 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 58.735 49.572 -4.589 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 59.099 48.804 -4.150 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 58.466 50.152 -3.877 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 75.978 29.752 -13.525 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 75.331 29.949 -14.203 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 75.746 30.327 -12.797 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 77.184 80.982 -13.451 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 77.765 81.736 -13.351 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 77.452 80.378 -12.758 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 39.780 92.296 45.741 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 40.022 92.972 46.374 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 39.857 91.474 46.226 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 27.949 81.466 58.214 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 28.321 82.272 57.858 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 28.663 81.071 58.714 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 55.558 3.380 55.803 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 54.652 3.240 55.526 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 56.032 2.619 55.468 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 28.818 42.713 -13.654 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 29.523 42.349 -13.119 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 28.975 43.657 -13.648 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 33.575 38.857 19.857 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 32.777 38.331 19.797 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 33.988 38.573 20.673 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 86.560 94.469 11.430 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 86.805 94.290 10.522 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 86.040 95.272 11.384 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 31.153 76.896 9.291 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 30.432 76.750 9.903 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 31.873 77.210 9.837 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 31.965 41.911 45.412 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 31.975 40.966 45.563 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 31.358 42.030 44.681 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 59.639 87.309 22.354 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 60.212 88.061 22.202 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 59.114 87.558 23.115 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 23.590 52.298 17.988 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 24.320 52.906 17.875 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 23.085 52.375 17.178 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 22.639 81.075 55.006 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 21.811 81.523 54.832 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 23.310 81.685 54.701 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 85.474 82.910 59.364 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 85.493 82.920 58.407 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 86.394 82.843 59.621 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 90.636 78.325 -7.480 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 89.787 78.110 -7.867 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 90.858 77.559 -6.950 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 23.192 89.953 66.172 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 22.606 90.340 66.823 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 22.619 89.723 65.440 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 66.317 88.571 60.872 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 65.368 88.471 60.941 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 66.477 88.708 59.938 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 28.162 27.549 60.478 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 27.801 28.432 60.552 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 29.077 27.640 60.745 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 26.991 92.465 52.295 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 27.666 92.298 51.637 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 27.262 91.947 53.053 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 40.159 37.562 46.188 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 40.944 37.273 45.723 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 39.488 37.629 45.509 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 64.541 80.984 -18.637 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 65.390 80.979 -19.078 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 64.600 80.279 -17.993 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 67.680 14.407 25.197 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 68.260 14.847 25.819 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 66.889 14.946 25.184 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 32.218 21.219 31.351 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 31.661 21.232 30.573 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 32.402 22.141 31.530 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 66.222 9.030 5.719 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 66.603 9.501 4.978 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 66.603 9.449 6.491 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 81.145 81.056 2.306 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 80.551 81.806 2.288 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 80.571 80.293 2.251 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 86.537 83.342 28.088 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 86.248 82.430 28.089 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 87.471 83.299 27.883 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 27.591 58.483 -0.222 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 27.820 59.412 -0.218 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 27.611 58.227 0.700 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 37.227 92.717 3.174 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 37.122 92.651 4.123 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 37.265 91.809 2.873 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 62.930 55.882 31.444 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 62.203 56.085 32.032 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 62.616 55.144 30.920 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 87.764 88.842 32.405 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 88.106 88.000 32.106 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 88.425 89.480 32.135 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 23.871 74.812 -2.084 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 24.011 75.527 -2.705 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 24.639 74.251 -2.187 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 21.593 19.727 0.997 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 20.693 19.650 0.682 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 21.642 20.606 1.373 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 59.429 17.178 39.521 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 59.619 17.669 38.721 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 58.556 17.473 39.780 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 52.716 78.538 2.186 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 52.200 78.069 1.531 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 53.625 78.387 1.928 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 21.963 62.194 -17.708 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 22.398 61.749 -18.436 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 21.675 61.486 -17.132 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 37.676 1.181 37.000 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 36.731 1.329 37.041 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 37.827 0.838 36.119 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 25.989 86.577 42.497 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 26.642 86.854 43.140 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 25.483 85.900 42.946 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 71.174 95.401 -7.826 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 70.594 94.924 -7.233 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 71.953 95.587 -7.302 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 22.304 73.722 -0.012 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 22.633 74.246 0.718 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 22.844 73.984 -0.758 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 28.997 36.375 6.199 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 28.753 37.068 5.585 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 29.593 36.801 6.815 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 67.944 28.232 44.953 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 67.497 28.961 45.384 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 68.253 28.597 44.123 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 50.243 65.349 -7.905 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 50.129 65.427 -8.852 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 49.840 66.141 -7.549 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 35.770 25.662 41.399 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 35.837 24.746 41.130 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 35.321 26.094 40.672 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 66.695 68.941 25.264 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 67.279 68.217 25.036 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 65.910 68.790 24.739 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 73.198 10.116 43.586 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 73.167 9.447 44.270 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 72.511 9.861 42.969 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 84.677 7.390 48.050 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 85.570 7.095 48.231 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 84.787 8.239 47.622 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 34.727 50.568 66.026 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 34.928 50.325 66.930 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 35.571 50.821 65.652 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 25.381 61.402 53.400 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 24.491 61.733 53.277 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 25.878 62.160 53.708 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 43.971 4.928 51.590 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 44.142 4.774 50.661 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 44.244 4.118 52.022 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 64.779 68.434 45.950 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 64.342 69.118 46.456 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 64.246 67.652 46.092 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 75.874 89.286 48.427 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 75.174 89.921 48.272 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 76.680 89.764 48.235 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 90.340 95.332 28.394 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 89.542 95.822 28.590 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 90.113 94.799 27.631 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 84.863 80.662 11.866 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 85.499 81.375 11.920 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 84.706 80.412 12.776 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 54.594 65.703 -8.015 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 54.444 65.513 -7.089 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 55.547 65.699 -8.110 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 69.321 15.222 37.884 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 68.857 15.105 38.713 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 70.223 14.966 38.076 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 28.587 84.520 5.048 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 29.348 84.924 4.629 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 28.288 85.173 5.681 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 27.341 74.361 -6.437 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 27.827 74.361 -7.262 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 27.800 73.726 -5.887 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 24.039 85.762 65.481 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 24.903 85.571 65.117 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 24.221 86.210 66.307 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 60.760 36.237 43.802 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 60.725 37.181 43.955 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 61.405 36.131 43.103 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 58.061 23.990 60.240 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 57.149 23.699 60.237 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 58.037 24.849 60.661 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 37.900 94.269 0.964 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 37.773 93.879 1.829 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 38.634 94.872 1.078 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 30.876 7.281 8.824 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 30.203 7.703 9.357 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 31.702 7.533 9.237 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 54.912 24.595 29.633 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 54.282 24.206 30.240 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 54.387 25.177 29.083 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 42.476 24.901 48.776 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 43.025 24.953 47.993 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 42.599 24.007 49.095 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 60.237 66.540 43.915 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 59.462 66.193 44.355 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 60.244 66.104 43.062 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 28.715 69.604 56.299 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 29.150 70.243 56.862 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 28.280 70.131 55.629 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 34.958 73.948 10.749 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 35.237 73.206 10.213 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 35.215 74.719 10.244 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 20.852 41.301 55.375 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 21.002 41.710 56.228 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 20.941 42.018 54.747 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 40.059 54.779 -14.410 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 40.270 55.550 -13.883 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 39.188 54.515 -14.111 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 41.416 80.350 34.582 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 41.684 79.704 33.928 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 41.444 81.187 34.119 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 46.077 87.899 58.252 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 45.193 87.890 58.620 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 46.651 88.017 59.009 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 79.764 92.883 25.092 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 78.948 93.367 25.226 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 80.372 93.257 25.729 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 26.552 93.596 62.559 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 25.877 93.872 61.940 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 26.076 93.426 63.373 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 76.275 78.066 54.837 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 75.951 77.228 54.506 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 75.575 78.385 55.408 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 77.321 26.043 -18.320 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 77.073 26.647 -17.619 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 77.749 25.315 -17.869 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 54.134 17.433 -19.213 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 54.898 16.949 -19.527 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 54.349 18.351 -19.376 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 77.281 74.973 1.554 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 76.540 75.032 2.156 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 77.440 75.876 1.279 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 73.448 36.074 28.038 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 73.564 35.159 27.783 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 74.006 36.182 28.808 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 84.079 84.317 -1.761 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 83.632 84.458 -0.926 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 84.955 84.680 -1.629 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 65.402 21.690 -3.104 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 64.699 21.371 -2.539 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 66.140 21.832 -2.512 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 72.174 1.148 46.474 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 72.056 0.201 46.397 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 72.540 1.274 47.349 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 31.492 81.325 36.614 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 30.585 81.265 36.916 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 31.985 81.594 37.388 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 44.874 14.476 8.864 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 45.451 13.715 8.803 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 44.841 14.677 9.799 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 38.214 94.951 27.538 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 37.869 95.059 26.651 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 38.253 95.840 27.889 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 43.817 9.147 -5.037 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 42.875 9.211 -5.194 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 44.109 10.055 -4.956 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 27.895 40.995 26.358 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 27.246 41.696 26.407 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 28.728 41.425 26.551 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 30.879 34.611 -8.736 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 30.073 34.281 -8.340 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 31.520 34.596 -8.025 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 31.204 71.168 15.227 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 31.848 70.584 15.627 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 31.019 71.820 15.903 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 82.129 55.490 54.495 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 82.015 55.338 55.433 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 82.113 54.616 54.106 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 50.613 87.490 33.645 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 51.172 86.977 34.229 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 51.221 87.899 33.029 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 45.201 89.247 61.528 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 45.333 88.676 62.285 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 46.012 89.169 61.025 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 33.135 53.477 29.226 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 33.958 53.908 29.457 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 33.292 53.113 28.355 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 58.191 58.500 18.426 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 58.700 58.579 17.619 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 57.635 59.278 18.438 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 59.405 26.873 -8.975 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 58.762 26.610 -9.635 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 58.964 26.722 -8.138 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 24.287 95.650 0.880 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 24.042 96.206 1.620 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 23.531 95.079 0.748 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 83.728 95.175 -6.894 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 84.275 95.439 -6.154 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 84.320 95.187 -7.646 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 85.336 13.675 -8.024 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 85.074 12.821 -8.366 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 84.941 14.306 -8.625 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 38.414 62.598 56.574 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 37.766 63.208 56.222 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 38.678 62.983 57.409 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 49.766 92.351 41.836 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 50.168 91.694 42.404 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 49.897 92.015 40.949 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 67.517 88.255 27.026 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 68.010 87.715 27.644 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 66.951 87.635 26.565 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 21.346 56.969 45.330 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 21.307 57.917 45.202 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 21.517 56.860 46.265 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 57.778 57.337 40.874 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 57.368 56.911 40.121 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 57.984 56.619 41.473 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 49.003 50.409 34.128 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 48.915 51.359 34.048 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 48.562 50.061 33.353 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 78.393 17.419 40.693 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 79.277 17.199 40.400 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 78.112 16.658 41.201 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 21.311 88.918 63.439 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 21.845 88.131 63.330 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 20.522 88.612 63.885 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 82.445 91.990 -7.861 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 82.504 92.281 -6.951 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 81.515 92.058 -8.075 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 85.143 18.572 -5.038 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 86.021 18.225 -5.196 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 84.730 17.928 -4.463 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 24.051 76.316 -13.974 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 24.363 75.532 -13.522 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 24.588 76.369 -14.764 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 79.112 16.342 -4.377 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 80.057 16.443 -4.494 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 79.003 15.444 -4.066 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 78.337 45.522 18.039 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 78.120 45.470 18.970 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 77.492 45.614 17.600 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 48.108 91.836 38.359 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 47.994 92.349 37.559 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 47.454 91.141 38.293 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 44.171 80.562 2.003 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 43.533 79.875 1.809 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 44.594 80.739 1.163 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 34.268 83.378 30.309 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 34.453 83.221 31.235 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 34.075 82.511 29.952 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 64.341 61.473 -5.215 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 63.482 61.680 -5.582 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 64.194 61.430 -4.270 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 27.634 85.225 36.086 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 28.408 85.721 35.822 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 27.935 84.318 36.135 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 67.618 42.596 28.273 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 68.128 43.260 27.809 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 66.774 43.016 28.442 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 64.256 7.855 60.570 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 65.195 7.999 60.685 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 63.842 8.467 61.178 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 56.561 86.956 -5.728 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 55.896 87.098 -6.402 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 56.521 86.017 -5.546 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 61.669 29.519 31.239 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 61.002 30.046 31.680 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 61.553 29.715 30.309 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 22.442 13.552 59.654 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 23.236 13.722 59.146 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 22.744 13.505 60.561 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 20.821 13.103 54.673 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 20.152 13.452 55.262 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 21.577 13.674 54.804 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 23.251 64.320 34.506 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 22.533 64.255 35.136 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 22.884 64.816 33.774 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 44.805 80.665 25.987 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 44.873 79.763 25.673 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 44.536 80.581 26.902 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 33.689 63.321 -19.385 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 32.862 63.398 -18.909 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 33.719 64.098 -19.942 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 47.935 80.159 34.739 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 48.583 79.457 34.670 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 47.217 79.879 34.172 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 82.160 86.151 61.140 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 82.835 86.171 60.460 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 81.640 85.373 60.939 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 38.236 17.905 -9.794 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 37.589 18.030 -9.100 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 39.039 17.661 -9.333 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 66.351 89.006 -17.002 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 66.965 89.741 -16.981 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 65.662 89.251 -16.384 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 78.410 58.132 15.516 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 79.304 58.176 15.855 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 78.204 57.197 15.504 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 51.261 92.779 60.792 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 50.904 92.688 59.908 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 50.586 93.257 61.274 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 70.421 80.223 -5.573 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 70.418 80.965 -4.969 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 70.920 79.545 -5.118 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 77.143 52.363 24.475 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 77.445 51.767 25.160 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 77.544 52.029 23.672 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 77.300 21.626 54.845 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 76.765 21.064 54.284 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 78.032 21.893 54.290 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 77.917 27.823 54.491 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 78.163 26.941 54.212 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 77.083 27.706 54.947 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 32.141 51.307 30.844 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 31.604 50.990 30.119 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 32.435 52.174 30.565 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 34.662 23.584 39.489 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 35.490 23.422 39.036 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 34.042 22.980 39.080 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 34.952 75.627 38.618 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 34.266 75.813 39.259 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 35.087 76.459 38.164 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 42.952 93.038 13.639 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 43.069 92.159 14.000 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 42.726 92.891 12.721 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 87.127 16.490 65.562 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 86.793 15.600 65.676 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 88.022 16.456 65.901 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 20.884 55.153 -1.926 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 21.150 54.737 -1.106 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 19.944 54.981 -1.989 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 76.252 33.706 25.007 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 76.502 34.418 25.595 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 75.589 34.090 24.433 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 65.421 72.097 25.271 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 64.900 71.393 24.883 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 66.279 71.703 25.425 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 28.120 13.501 39.440 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 28.179 13.514 38.484 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 28.999 13.735 39.738 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 73.455 91.723 -2.761 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 73.456 92.382 -3.455 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 73.113 92.181 -1.994 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 31.693 90.846 13.046 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 31.672 91.656 12.537 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 31.989 91.117 13.916 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 51.465 12.772 36.552 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 50.904 12.906 37.317 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 51.856 13.630 36.389 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 32.663 10.950 23.954 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 32.597 11.643 23.297 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 33.556 10.617 23.863 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 31.948 89.522 56.484 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 31.916 90.162 57.196 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 32.776 89.701 56.039 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 56.441 23.362 14.902 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 55.495 23.386 14.759 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 56.549 23.562 15.832 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 64.047 89.263 -15.247 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 63.181 89.588 -15.491 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 63.874 88.582 -14.597 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 27.716 75.044 54.309 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 27.184 75.561 54.914 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 28.529 75.541 54.219 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 54.145 92.124 13.657 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 53.785 92.880 13.193 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 55.040 92.043 13.327 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 22.781 76.771 5.350 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 22.745 77.131 6.236 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 23.255 77.430 4.843 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 81.647 46.155 -7.472 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 80.729 46.159 -7.200 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 82.135 45.981 -6.667 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 27.251 95.311 52.037 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 27.809 95.807 51.438 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 27.599 94.420 52.006 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 70.617 41.558 1.568 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 71.130 42.206 2.051 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 71.176 40.781 1.543 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 33.711 83.758 56.732 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 33.817 84.355 57.472 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 32.848 83.365 56.862 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 28.599 69.689 -18.884 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 29.462 69.278 -18.845 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 28.343 69.621 -19.804 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 87.449 40.166 65.372 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 88.295 40.565 65.572 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 87.542 39.840 64.477 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 44.028 57.287 65.170 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 44.080 56.482 65.685 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 43.727 57.950 65.791 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 72.214 9.999 38.222 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 72.893 10.517 38.655 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 71.887 10.566 37.524 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 32.608 1.174 65.031 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 32.879 0.460 64.453 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 33.396 1.394 65.527 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 49.391 65.524 62.429 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 48.783 65.850 63.093 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 49.814 66.311 62.085 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 72.573 88.601 -14.350 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 72.408 87.844 -13.788 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 72.831 89.297 -13.746 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 23.685 79.050 48.654 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 24.534 79.349 48.978 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 23.428 78.355 49.260 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 77.450 90.800 -6.960 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 77.492 91.025 -6.031 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 77.004 89.953 -6.982 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 82.281 63.136 65.334 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 82.073 62.555 66.066 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 82.812 63.831 65.723 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 68.330 58.290 -8.825 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 67.482 58.663 -8.582 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 68.969 58.803 -8.331 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 82.354 51.988 36.433 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 83.099 52.573 36.295 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 82.516 51.250 35.845 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 45.002 20.397 -10.891 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 44.688 20.894 -11.646 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 44.750 19.493 -11.078 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 44.259 54.324 55.405 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 44.030 55.062 55.970 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 44.889 53.816 55.918 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 36.988 74.961 62.629 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 36.271 74.953 63.262 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 37.770 74.774 63.149 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 55.934 54.510 58.343 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 55.212 54.267 57.764 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 55.557 54.480 59.223 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 88.035 32.710 30.578 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 88.876 32.834 30.138 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 88.266 32.431 31.464 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 40.702 24.377 8.659 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 41.555 24.795 8.542 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 40.070 25.087 8.548 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 89.439 16.280 5.295 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 88.980 16.368 6.131 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 88.786 16.518 4.637 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 76.750 76.280 48.695 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 76.955 76.980 48.075 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 77.594 75.866 48.876 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 87.178 0.324 -6.343 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 86.876 -0.479 -6.768 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 86.883 1.027 -6.921 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 86.436 37.433 -8.821 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 86.302 38.363 -8.639 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 87.141 37.172 -8.229 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 27.180 6.438 66.069 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 26.532 5.867 66.482 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 26.833 6.599 65.192 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 55.628 26.827 -7.260 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 55.700 27.683 -6.838 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 56.520 26.480 -7.251 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 44.856 92.694 29.410 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 44.843 93.549 28.979 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 44.269 92.794 30.159 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 68.950 45.408 57.788 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 69.791 45.648 58.177 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 68.407 46.190 57.888 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 26.112 49.362 3.808 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 26.989 49.662 4.047 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 26.183 49.124 2.884 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 52.674 90.960 33.986 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 52.289 90.552 33.210 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 52.085 90.718 34.701 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 81.017 69.671 8.384 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 80.184 70.142 8.402 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 80.789 68.770 8.612 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 90.737 73.800 21.741 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 90.315 73.003 21.419 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 90.034 74.449 21.769 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 38.006 82.569 49.461 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 37.682 82.941 50.281 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 37.217 82.386 48.952 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 24.030 70.092 51.536 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 23.681 69.367 52.054 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 24.967 70.097 51.731 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 23.975 16.651 47.282 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 23.325 17.179 46.821 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 24.642 16.460 46.623 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 89.115 27.969 19.819 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 88.164 27.936 19.724 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 89.451 27.586 19.009 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 53.801 96.135 46.610 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 54.018 97.017 46.911 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 53.792 96.201 45.656 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 62.704 72.288 62.584 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 62.970 71.536 62.054 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 61.931 72.634 62.138 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 44.164 5.853 2.838 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 44.292 6.147 3.739 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 44.873 5.228 2.686 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 29.653 11.367 54.425 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 30.370 12.000 54.463 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 29.745 10.952 53.567 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 32.909 33.180 41.911 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 32.233 33.332 41.250 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 33.666 32.873 41.413 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 26.911 11.928 51.812 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 27.791 11.894 51.437 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 26.475 11.147 51.472 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 50.638 82.558 4.232 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 51.476 82.262 4.587 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 50.420 83.334 4.748 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 73.422 27.443 -3.917 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 74.294 27.786 -3.721 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 72.822 28.078 -3.525 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 41.132 73.757 66.185 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 41.870 73.658 65.583 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 41.529 73.750 67.056 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 20.274 15.182 41.184 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 20.645 15.232 42.065 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 20.951 14.750 40.662 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 46.793 83.760 18.466 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 46.305 83.620 17.655 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 46.672 82.950 18.961 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 29.929 28.136 -15.126 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 29.541 28.109 -16.001 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 29.743 27.274 -14.754 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 51.856 74.092 62.425 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 50.949 73.807 62.319 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 52.052 74.573 61.622 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 63.647 69.735 28.722 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 63.232 68.876 28.648 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 62.973 70.353 28.438 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 76.739 75.280 -6.352 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 76.687 74.752 -7.149 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 76.739 74.640 -5.640 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 66.826 69.826 62.441 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 67.471 69.162 62.201 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 66.121 69.718 61.803 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 72.163 82.542 25.389 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 72.508 82.331 24.522 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 71.506 83.219 25.228 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 23.984 92.902 59.348 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 24.119 93.577 60.013 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 24.772 92.939 58.806 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 27.722 83.574 63.253 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 26.965 83.775 62.703 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 28.294 83.051 62.692 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 64.269 90.505 27.501 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 63.727 89.753 27.259 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 64.882 90.603 26.772 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 52.320 96.000 -8.378 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 53.046 95.381 -8.449 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 52.128 96.038 -7.441 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 34.132 80.973 41.738 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 33.589 80.184 41.747 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 34.824 80.781 41.105 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 77.714 12.545 50.583 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 77.150 12.990 49.950 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 77.197 11.795 50.879 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 28.658 72.274 -8.391 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 28.175 71.535 -8.021 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 28.010 72.745 -8.916 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 32.500 29.689 14.878 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 33.032 28.940 14.608 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 32.848 30.424 14.373 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 70.387 1.911 6.184 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 69.814 2.006 6.945 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 70.211 2.687 5.653 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 86.030 35.253 66.799 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 86.381 36.137 66.903 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 85.734 35.217 65.890 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 30.294 68.316 -14.503 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 30.921 69.037 -14.559 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 30.022 68.165 -15.408 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 70.009 71.654 65.582 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 69.152 71.250 65.449 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 70.583 70.927 65.822 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 86.835 70.352 -18.192 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 85.965 70.043 -17.941 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 87.424 69.958 -17.548 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 85.218 59.292 13.991 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 85.402 58.658 13.298 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 85.364 60.144 13.580 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 47.809 58.861 -4.006 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 48.766 58.844 -3.998 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 47.552 58.114 -3.466 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 45.879 54.784 29.410 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 46.038 54.409 28.544 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 45.465 55.629 29.234 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 22.830 77.665 -17.270 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 23.676 77.260 -17.082 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 22.203 77.165 -16.748 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 80.535 2.452 62.194 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 80.821 2.502 63.107 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 81.245 2.859 61.698 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 88.353 47.874 -11.603 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 87.430 47.639 -11.694 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 88.668 47.334 -10.878 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 86.311 64.338 40.922 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 85.903 64.145 40.078 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 86.708 63.510 41.192 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 79.050 25.788 1.249 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 78.928 26.628 1.690 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 80.000 25.682 1.193 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 29.836 77.151 13.796 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 29.255 76.482 14.160 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 30.166 77.623 14.560 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 76.958 62.711 -12.545 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 77.390 63.522 -12.812 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 76.073 62.980 -12.299 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 77.604 73.851 56.816 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 76.905 73.629 57.431 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 77.912 74.710 57.103 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 62.919 9.619 40.363 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 62.923 9.239 39.484 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 62.384 10.408 40.280 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 22.118 74.535 -11.027 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 21.810 74.632 -10.126 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 22.980 74.126 -10.944 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 90.454 28.290 6.048 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 90.320 28.556 6.958 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 90.710 29.095 5.598 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 88.148 50.688 -16.611 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 87.243 50.997 -16.643 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 88.081 49.737 -16.694 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 46.737 32.785 -5.584 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 46.013 32.897 -4.968 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 47.032 33.676 -5.772 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 67.897 62.638 -6.918 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 67.300 61.900 -7.035 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 68.694 62.378 -7.380 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 63.664 52.615 57.719 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 64.437 52.847 58.235 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 62.926 52.941 58.233 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 47.219 47.907 -12.850 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 47.454 48.455 -13.599 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 47.333 48.478 -12.090 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 44.427 90.511 24.824 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 44.621 89.953 25.578 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 43.472 90.587 24.822 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 82.283 41.299 -11.642 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 82.763 41.195 -12.464 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 82.774 40.774 -11.010 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 26.979 83.465 66.960 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 26.341 82.768 66.804 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 27.779 83.158 66.533 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 86.419 64.455 50.692 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 85.551 64.830 50.841 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 86.620 64.670 49.781 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 30.140 81.785 -18.736 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 30.423 82.692 -18.856 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 30.038 81.445 -19.624 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 72.117 58.833 -14.059 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 71.810 58.157 -14.663 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 72.820 58.412 -13.564 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 24.052 78.562 35.172 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 24.745 78.803 34.557 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 23.680 79.398 35.453 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 86.507 95.226 54.671 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 85.989 94.426 54.755 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 86.631 95.527 55.572 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 64.823 24.788 26.891 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 65.168 25.185 26.092 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 64.364 25.502 27.334 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 49.994 26.900 1.866 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 49.678 26.408 2.624 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 50.673 27.474 2.219 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 30.057 60.982 16.083 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 30.520 61.296 15.306 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 30.592 60.256 16.404 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 81.394 28.350 -2.254 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 81.338 29.276 -2.493 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 80.616 27.953 -2.646 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 76.787 61.417 -5.399 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 75.993 60.886 -5.337 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 76.707 61.871 -6.237 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 71.584 15.283 -14.118 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 71.794 16.070 -13.614 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 71.819 15.506 -15.019 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 60.079 60.527 -2.481 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 59.798 60.237 -1.613 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 59.264 60.711 -2.948 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 71.512 19.862 50.513 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 72.254 20.285 50.082 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 70.747 20.353 50.213 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 33.053 1.789 -9.871 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 32.490 1.594 -9.122 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 32.998 1.009 -10.423 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 76.788 71.495 33.836 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 76.652 71.033 34.664 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 77.626 71.165 33.512 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 43.147 40.246 25.597 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 43.475 39.552 25.026 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 43.550 41.046 25.257 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 38.794 68.734 6.760 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 39.582 68.491 7.246 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 38.516 67.923 6.334 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 88.328 68.670 56.344 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 88.395 67.847 56.828 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 88.843 68.524 55.550 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 87.160 26.199 64.015 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 87.160 25.300 63.684 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 88.056 26.506 63.875 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 30.745 95.798 24.240 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 29.936 96.275 24.056 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 30.455 94.983 24.651 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 43.613 78.561 14.479 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 43.264 77.984 15.158 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 44.087 77.977 13.888 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 79.241 38.970 46.188 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 79.368 39.765 46.706 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 79.675 39.155 45.355 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 75.706 14.819 52.546 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 76.187 13.997 52.645 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 75.297 14.755 51.683 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 29.494 51.221 -1.196 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 29.099 51.238 -2.068 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 29.305 50.344 -0.864 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 69.500 6.264 50.608 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 69.019 7.089 50.547 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 68.928 5.621 50.188 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 38.585 39.031 27.669 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 38.917 39.388 26.846 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 39.296 38.480 27.996 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 34.718 27.437 10.494 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 35.043 26.961 11.258 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 34.824 28.360 10.723 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 86.342 10.081 -17.490 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 86.194 9.145 -17.623 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 86.249 10.207 -16.546 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 31.555 22.555 8.048 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 31.657 22.256 7.145 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 31.262 23.463 7.969 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 48.477 16.424 -5.630 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 47.557 16.686 -5.609 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 48.514 15.634 -5.090 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 60.203 2.477 35.805 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 60.556 2.907 36.584 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 60.025 3.193 35.196 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 82.912 59.493 32.515 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 82.326 58.745 32.399 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 82.734 60.056 31.762 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 65.521 2.453 18.836 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 65.886 1.806 19.439 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 65.386 3.233 19.374 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 56.037 10.769 40.361 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 56.908 11.098 40.583 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 55.530 11.553 40.152 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 38.113 51.275 31.915 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 38.127 52.131 31.488 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 38.552 50.691 31.297 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 51.282 51.807 49.350 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 51.434 52.402 48.616 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 50.362 51.939 49.579 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 82.048 79.991 32.011 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 81.414 79.362 32.354 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 81.547 80.525 31.394 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 73.038 32.575 36.182 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 73.563 31.776 36.127 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 72.569 32.612 35.349 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 27.182 43.635 27.571 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 27.120 44.357 28.197 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 26.367 43.146 27.689 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 69.744 65.878 58.742 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 68.964 66.298 58.380 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 70.094 65.357 58.019 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 71.177 58.985 -8.963 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 71.115 58.886 -9.913 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 71.771 58.287 -8.687 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 66.252 64.526 18.146 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 66.408 63.690 18.586 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 65.640 64.315 17.441 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 77.684 69.099 -14.096 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 77.597 68.551 -13.316 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 77.019 68.767 -14.699 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 66.401 24.332 47.326 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 65.848 24.938 47.820 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 67.082 24.885 46.944 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 35.171 65.888 29.425 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 34.517 65.983 28.732 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 35.665 65.105 29.184 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 86.049 65.044 -13.596 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 85.098 65.154 -13.608 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 86.348 65.620 -12.892 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 86.373 75.123 54.937 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 86.482 75.856 54.331 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 86.925 75.348 55.687 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 50.736 18.531 28.132 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 51.416 19.123 27.809 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 49.913 18.952 27.882 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 48.664 65.065 12.187 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 49.445 64.811 11.695 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 48.979 65.705 12.825 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 63.182 76.161 5.080 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 62.391 76.439 5.542 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 63.524 75.436 5.603 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 53.904 55.714 0.422 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 53.916 55.423 1.334 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 53.409 56.533 0.439 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 37.670 9.306 -6.890 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 38.480 9.645 -7.270 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 37.572 8.433 -7.270 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 25.015 84.072 43.323 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 24.706 83.814 42.454 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 25.534 83.326 43.624 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 80.713 51.150 -13.314 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 80.050 51.513 -13.902 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 80.271 50.425 -12.873 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 27.602 39.196 48.868 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 28.073 39.259 48.037 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 26.723 39.519 48.671 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 38.030 25.251 -18.784 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 37.259 24.767 -19.081 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 37.847 26.161 -19.018 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 33.129 67.079 66.939 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 33.310 66.764 67.824 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 33.373 66.349 66.369 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 70.833 77.063 17.129 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 71.084 76.926 16.215 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 71.627 77.396 17.548 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 23.789 54.883 51.883 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 23.442 55.747 52.109 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 24.731 54.955 52.038 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 55.823 36.860 13.043 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 54.885 36.913 12.863 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 55.885 36.349 13.850 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 48.326 75.261 -6.183 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 49.269 75.223 -6.341 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 48.063 74.346 -6.076 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 68.476 16.509 65.776 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 68.254 15.780 66.355 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 68.657 16.098 64.931 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 29.587 86.654 59.687 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 29.569 85.878 59.127 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 28.886 86.507 60.323 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 29.418 56.861 -13.224 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 28.605 56.383 -13.061 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 29.867 56.350 -13.896 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 40.155 5.652 29.915 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 39.848 6.378 29.372 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 40.216 4.911 29.313 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 62.789 92.974 50.602 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 63.255 92.656 51.375 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 61.892 92.658 50.716 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 70.103 94.120 21.323 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 69.740 95.004 21.359 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 69.337 93.545 21.330 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 54.992 79.563 47.232 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 55.060 78.695 46.834 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 54.138 79.891 46.949 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 47.303 58.202 64.912 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 46.746 58.979 64.919 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 47.580 58.096 65.822 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 67.289 70.134 11.123 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 67.113 69.205 10.973 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 67.086 70.554 10.287 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 44.655 29.472 58.817 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 44.261 29.458 59.690 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 43.917 29.609 58.223 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 52.025 70.539 -7.356 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 52.583 69.955 -6.840 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 51.134 70.241 -7.174 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 85.353 87.827 58.207 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 84.504 87.415 58.366 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 85.933 87.442 58.863 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 74.996 96.054 60.611 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 75.055 96.720 59.926 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 75.864 96.046 61.013 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 25.352 34.832 -4.637 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 25.496 34.951 -5.576 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 25.792 35.579 -4.230 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 24.572 72.295 27.469 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 24.047 72.169 28.260 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 25.445 71.984 27.707 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 26.253 52.998 46.275 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 26.088 52.763 47.188 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 25.804 53.836 46.158 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 46.181 67.374 54.826 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 47.120 67.326 55.003 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 46.078 66.967 53.965 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 30.874 79.310 30.324 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 31.357 78.484 30.295 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 30.266 79.259 29.586 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 21.063 21.896 60.781 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 21.431 22.474 61.449 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 20.382 21.403 61.238 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 44.996 90.622 38.242 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 44.991 89.887 38.855 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 45.616 90.363 37.561 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 48.926 50.847 -19.188 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 48.414 50.895 -19.995 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 48.280 50.678 -18.503 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 45.010 86.599 22.645 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 45.613 87.189 22.194 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 44.439 86.264 21.953 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 75.409 30.685 50.243 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 76.241 30.268 50.470 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 75.278 30.472 49.319 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 53.256 87.507 -14.368 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 52.507 87.357 -13.792 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 53.948 86.949 -14.012 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 37.943 21.877 20.111 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 38.219 20.963 20.045 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 38.618 22.366 19.639 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 69.632 89.730 25.150 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 69.610 89.114 25.882 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 70.561 89.813 24.934 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 86.833 42.230 59.157 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 87.677 41.997 58.769 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 86.829 41.787 60.006 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 38.913 63.858 52.821 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 38.453 64.591 53.231 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 39.610 63.636 53.438 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 57.723 69.730 66.415 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 57.724 70.563 65.943 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 56.862 69.353 66.234 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 58.858 7.292 37.469 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 58.259 6.545 37.483 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 58.676 7.730 36.638 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 57.771 86.383 20.550 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 57.619 87.195 20.066 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 58.571 86.546 21.049 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 71.252 84.074 12.832 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 71.553 83.488 12.138 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 70.317 83.886 12.916 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 22.183 88.365 15.910 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 22.322 88.533 16.842 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 21.246 88.508 15.777 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 30.431 93.522 14.956 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 31.041 92.827 15.202 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 30.736 93.816 14.097 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 73.959 66.209 2.564 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 73.240 65.700 2.189 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 73.530 66.847 3.134 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 60.409 73.587 39.792 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 60.111 73.393 40.681 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 59.717 73.244 39.227 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 40.077 90.475 48.098 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 40.906 90.729 47.691 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 40.326 89.855 48.784 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 86.030 35.417 23.610 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 86.701 36.024 23.922 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 85.482 35.943 23.028 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 37.378 66.343 -19.320 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 37.500 65.465 -19.680 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 37.111 66.875 -20.070 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 30.802 1.690 5.366 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 30.098 2.119 4.878 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 30.954 0.870 4.897 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 48.362 6.514 22.515 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 47.410 6.498 22.617 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 48.567 5.704 22.047 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 79.239 64.819 12.306 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 79.215 64.271 11.521 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 78.819 64.287 12.982 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 50.812 78.672 18.079 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 51.590 78.255 17.708 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 51.154 79.401 18.596 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 66.848 56.536 65.340 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 67.708 56.658 64.938 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 66.227 56.830 64.673 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 38.636 47.229 37.069 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 39.271 47.003 36.390 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 37.832 47.428 36.589 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 80.489 89.966 28.482 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 80.034 90.109 27.652 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 80.403 90.796 28.950 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 84.264 30.344 19.878 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 84.922 30.599 20.525 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 83.440 30.682 20.229 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 34.687 86.070 16.300 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 34.566 86.356 17.206 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 34.458 85.141 16.309 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 30.833 7.133 -11.182 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 31.437 7.448 -11.854 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 31.391 6.940 -10.429 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 68.784 75.470 -2.278 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 67.911 75.848 -2.172 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 68.975 75.564 -3.211 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 61.256 34.775 -1.630 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 60.847 35.432 -1.068 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 61.080 33.942 -1.193 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 56.185 28.990 54.436 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 55.379 28.959 53.921 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 56.800 29.479 53.888 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 39.579 10.056 3.164 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 40.091 10.764 3.553 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 38.734 10.456 2.959 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 55.200 13.409 42.011 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 54.799 13.572 41.157 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 55.805 14.140 42.135 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 65.351 74.578 56.951 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 65.896 75.335 57.163 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 65.661 74.292 56.092 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 25.828 75.777 11.152 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 26.453 76.500 11.193 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 25.975 75.286 11.961 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 54.278 33.634 0.929 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 54.091 34.555 0.745 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 54.081 33.531 1.860 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 24.093 79.863 13.996 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 24.675 80.620 14.063 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 23.223 80.211 14.190 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 42.095 64.915 54.159 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 41.867 64.033 54.453 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 42.603 64.777 53.359 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 28.471 71.434 17.250 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 29.118 72.133 17.161 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 28.529 71.169 18.168 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 77.492 62.403 59.706 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 76.649 62.850 59.775 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 77.443 61.698 60.352 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 49.053 54.693 58.460 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 48.823 55.128 57.639 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 49.466 53.873 58.190 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 41.992 70.108 66.165 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 42.227 70.753 66.833 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 42.567 70.308 65.426 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 23.347 65.480 46.227 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 22.813 64.941 46.810 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 24.027 65.846 46.794 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 41.306 47.914 15.443 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 42.207 47.656 15.247 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 41.393 48.622 16.081 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 27.361 66.000 11.594 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 27.679 65.596 12.402 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 27.016 66.849 11.870 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 88.669 23.959 13.712 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 88.597 23.081 13.338 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 88.662 24.544 12.955 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 68.245 81.666 -12.784 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 68.714 81.916 -13.580 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 68.794 81.988 -12.070 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 80.368 80.593 46.853 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 81.154 80.193 46.479 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 80.474 81.530 46.688 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 31.585 61.467 3.592 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 31.533 62.100 4.308 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 31.470 60.616 4.015 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 23.633 52.311 40.588 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 22.867 51.770 40.778 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 23.749 52.848 41.372 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 77.945 9.310 46.466 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 77.597 10.104 46.060 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 78.598 8.988 45.844 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 77.536 87.192 -2.220 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 77.566 87.523 -1.323 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 78.135 86.445 -2.220 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 31.162 40.186 16.531 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 31.918 40.604 16.943 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 30.802 39.617 17.211 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 70.679 82.385 37.473 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 70.150 81.763 36.973 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 70.040 82.935 37.925 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 24.872 62.048 5.458 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 25.549 62.161 6.125 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 24.952 62.822 4.901 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 33.316 40.897 31.817 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 34.083 41.037 31.261 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 32.572 40.946 31.216 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 69.447 93.601 48.505 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 69.922 92.783 48.362 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 68.843 93.660 47.764 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 50.090 4.588 -6.939 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 50.117 5.417 -7.417 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 50.685 4.013 -7.421 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 55.390 88.490 54.262 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 55.768 87.621 54.127 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 54.695 88.554 53.606 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 67.804 95.178 51.183 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 67.200 94.960 50.473 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 67.565 94.582 51.893 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 26.605 38.157 43.241 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 25.681 37.963 43.086 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 26.897 38.590 42.439 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 55.228 31.686 -9.358 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 55.649 32.321 -9.937 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 55.332 32.054 -8.481 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 23.805 73.310 24.739 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 24.303 72.951 25.473 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 23.817 72.618 24.078 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 36.653 74.554 26.341 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 37.219 73.782 26.362 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 37.249 75.284 26.174 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 69.324 26.523 21.810 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 70.075 26.517 22.403 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 68.840 25.726 22.027 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 51.530 35.132 64.768 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 51.552 35.330 65.705 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 52.428 34.881 64.555 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 86.445 9.285 64.952 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 86.509 8.991 64.043 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 87.344 9.253 65.278 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 76.856 93.813 57.269 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 76.824 94.335 56.467 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 76.651 94.434 57.968 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 59.934 9.845 64.450 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 59.717 9.921 63.521 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 60.719 10.383 64.558 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 24.959 35.869 36.092 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 24.599 36.072 35.228 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 24.199 35.869 36.675 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 81.707 79.257 -4.718 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 81.060 79.887 -5.035 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 82.110 79.686 -3.963 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 69.774 84.672 57.700 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 69.800 83.974 58.355 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 69.478 85.443 58.184 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 73.193 91.034 8.846 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 73.520 90.929 7.953 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 73.200 91.980 8.995 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 55.010 77.197 27.283 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 54.462 77.370 26.518 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 55.221 76.266 27.222 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 47.601 12.024 31.690 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 47.237 11.934 30.809 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 48.327 11.400 31.715 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 82.642 90.554 -13.242 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 83.007 89.671 -13.310 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 82.941 90.998 -14.035 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 52.526 0.354 59.049 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 52.314 -0.220 58.313 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 51.696 0.774 59.273 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 24.112 54.465 36.926 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 23.233 54.096 36.844 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 24.697 53.754 36.664 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 56.858 75.577 -14.517 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 57.793 75.637 -14.317 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 56.523 74.922 -13.904 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 24.813 54.648 58.771 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 24.445 54.185 58.018 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 24.049 54.973 59.249 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 27.200 45.965 29.170 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 28.017 46.380 28.893 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 26.521 46.604 28.953 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 69.256 29.271 -5.130 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 68.870 29.647 -4.339 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 68.707 28.514 -5.329 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 38.186 74.979 -8.232 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 38.114 74.560 -7.375 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 38.746 75.740 -8.081 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 84.787 53.007 49.947 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 84.370 52.419 49.318 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 84.516 52.674 50.803 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 90.255 61.252 61.730 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 89.910 61.010 62.589 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 90.215 60.443 61.219 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 24.695 67.198 34.588 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 23.935 67.038 34.029 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 25.449 67.011 34.028 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 21.790 40.647 -9.120 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 21.901 41.479 -8.660 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 20.870 40.419 -8.986 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 78.691 86.712 -5.338 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 78.463 85.906 -5.801 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 79.627 86.826 -5.503 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 27.495 69.180 20.261 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 27.940 68.679 20.945 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 26.692 68.689 20.088 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 21.494 39.059 51.165 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 20.944 39.828 51.314 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 22.376 39.346 51.404 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 70.713 80.599 64.020 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 69.874 81.046 63.911 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 70.732 79.951 63.316 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 48.490 81.023 7.990 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 49.009 80.580 7.318 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 48.476 80.410 8.725 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 73.825 37.046 35.576 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 74.511 37.580 35.975 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 73.106 37.658 35.417 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 48.660 20.853 -8.751 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 48.991 20.048 -8.352 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 48.005 20.555 -9.382 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 46.064 93.736 -5.897 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 46.987 93.510 -6.010 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 45.749 93.131 -5.225 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 75.274 71.699 31.661 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 74.583 71.038 31.711 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 75.843 71.508 32.408 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 22.527 83.189 64.609 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 22.918 84.010 64.907 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 23.209 82.778 64.078 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 49.752 92.241 -12.748 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 49.340 93.051 -13.050 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 50.216 92.492 -11.949 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 62.144 73.357 22.601 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 61.362 73.033 22.153 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 61.983 73.173 23.527 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 64.884 50.262 54.574 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 64.324 50.238 53.798 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 64.423 50.836 55.185 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 51.698 41.378 57.182 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 52.119 41.747 56.405 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 51.753 42.072 57.838 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 47.704 74.724 -14.230 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 46.821 74.560 -14.560 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 48.264 74.141 -14.743 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 57.175 1.664 13.122 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 58.110 1.722 13.317 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 57.035 2.301 12.422 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 62.571 78.022 27.356 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 62.856 78.823 27.796 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 63.191 77.354 27.647 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 83.775 95.335 57.539 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 83.457 95.463 58.433 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 83.084 94.830 57.110 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 34.139 76.638 61.361 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 33.449 76.189 61.850 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 34.624 75.935 60.929 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 59.757 30.305 -18.108 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 59.417 31.081 -18.554 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 59.230 30.236 -17.312 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 63.819 68.108 51.632 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 63.154 67.514 51.980 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 64.557 67.539 51.411 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 46.556 39.574 36.517 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 47.323 39.007 36.440 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 46.058 39.416 35.715 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 65.980 59.494 63.960 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 65.746 60.362 63.631 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 65.266 59.261 64.554 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 58.712 11.230 -17.556 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 58.678 10.278 -17.465 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 58.996 11.376 -18.458 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 49.039 1.511 13.608 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 49.482 2.237 14.047 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 48.109 1.734 13.656 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 28.776 78.151 62.247 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 29.125 78.928 61.810 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 29.481 77.506 62.190 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 49.002 89.948 -14.696 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 49.269 90.398 -15.497 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 49.183 90.576 -13.996 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 44.475 75.086 -18.389 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 44.040 75.932 -18.279 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 44.555 74.979 -19.337 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 74.246 76.514 44.487 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 74.888 76.008 43.989 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 74.073 77.283 43.944 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 76.532 19.258 59.240 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 75.690 19.674 59.427 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 76.817 19.654 58.417 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 81.301 44.139 -2.712 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 81.241 43.579 -1.938 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 81.605 44.982 -2.376 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 50.551 80.807 52.589 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 50.455 79.945 52.994 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 51.402 80.775 52.153 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 78.675 67.942 -8.239 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 78.480 67.482 -7.422 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 78.374 68.838 -8.087 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 83.590 61.334 45.894 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 84.217 60.755 46.326 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 84.003 61.558 45.061 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 45.887 87.680 39.396 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 44.999 87.351 39.530 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 46.328 86.988 38.902 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 54.924 7.450 53.257 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 55.189 6.944 52.489 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 55.264 8.330 53.094 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 69.144 50.550 0.990 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 69.050 50.652 1.937 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 68.272 50.735 0.640 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 77.241 37.207 -7.271 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 77.538 36.308 -7.128 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 76.514 37.320 -6.659 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 88.369 8.594 -9.656 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 88.515 8.737 -8.721 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 89.176 8.183 -9.966 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 72.308 80.416 -18.539 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 72.695 81.135 -18.040 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 72.298 80.730 -19.443 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 28.883 50.569 -11.604 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 29.599 50.899 -12.147 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 29.227 50.596 -10.711 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 29.221 66.006 -1.174 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 29.217 66.941 -1.379 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 28.472 65.652 -1.654 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 63.169 86.503 21.294 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 63.800 86.756 21.969 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 62.740 85.724 21.647 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 28.364 78.404 -17.657 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 28.121 77.775 -16.977 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 28.449 79.237 -17.194 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 82.074 44.123 -15.220 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 81.469 43.598 -14.697 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 81.674 44.992 -15.250 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 73.310 85.471 14.055 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 72.578 84.914 13.791 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 72.898 86.265 14.397 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 78.216 6.426 -2.405 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 77.526 6.421 -3.069 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 78.022 7.191 -1.864 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 51.849 17.586 11.412 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 51.645 18.071 12.211 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 52.805 17.590 11.366 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 26.777 88.968 -16.386 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 27.473 89.625 -16.366 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 27.138 88.222 -15.907 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 41.767 8.136 11.021 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 41.291 8.728 10.439 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 41.203 8.049 11.789 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 37.553 75.840 -5.069 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 36.830 76.020 -5.670 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 38.255 76.424 -5.357 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 32.473 96.206 57.673 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 31.741 96.208 57.056 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 33.246 96.062 57.127 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 31.899 84.181 44.060 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 31.108 83.750 43.736 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 32.463 84.259 43.291 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 31.258 65.011 14.919 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 31.870 64.329 14.643 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 31.706 65.461 15.634 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 90.238 15.345 -14.615 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 91.011 14.806 -14.449 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 89.499 14.749 -14.495 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 29.408 55.798 59.807 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 28.619 56.015 60.304 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 29.347 56.334 59.016 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 54.204 59.174 12.377 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 53.504 58.763 12.884 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 54.497 59.905 12.921 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 75.539 76.328 -0.878 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 75.332 77.249 -1.041 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 75.443 76.225 0.069 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 64.830 66.332 32.603 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 64.051 65.789 32.479 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 65.022 66.678 31.731 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 63.717 52.370 7.853 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 63.569 52.968 8.586 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 62.915 51.849 7.804 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 59.361 69.719 56.482 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 59.680 69.034 55.895 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 58.423 69.545 56.566 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 70.149 92.966 3.251 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 69.851 93.635 3.867 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 70.452 92.247 3.806 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 65.643 10.496 40.665 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 64.837 10.131 41.032 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 65.460 11.431 40.568 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 28.584 73.158 -0.573 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 29.067 72.759 0.152 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 29.255 73.595 -1.097 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 26.779 32.422 -12.803 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 26.990 32.566 -11.880 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 27.540 31.958 -13.153 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 39.599 47.773 2.414 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 40.118 46.969 2.434 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 40.003 48.336 3.075 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 38.461 57.571 16.533 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 38.646 56.668 16.791 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 39.264 58.049 16.741 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 81.009 44.573 16.513 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 80.552 44.354 15.701 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 80.402 45.143 16.984 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 80.793 38.376 57.760 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 80.234 39.049 57.370 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 80.489 37.556 57.370 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 40.406 7.635 -0.466 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 40.757 6.848 -0.882 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 39.708 7.926 -1.054 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 62.936 32.647 46.278 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 62.272 32.283 45.692 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 63.535 33.118 45.698 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 32.850 13.505 10.722 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 33.732 13.837 10.893 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 32.594 13.074 11.538 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 61.642 5.299 -9.098 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 61.500 5.044 -8.186 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 62.107 4.558 -9.485 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 70.384 73.417 23.303 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 69.609 72.895 23.094 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 71.004 73.218 22.601 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 71.852 19.308 14.808 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 71.244 19.889 15.265 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 71.302 18.814 14.200 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 23.835 30.034 2.789 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 24.343 30.634 3.335 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 23.715 29.256 3.335 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 63.086 60.654 19.038 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 62.793 60.259 18.217 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 62.296 61.048 19.410 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 43.583 56.545 2.577 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 43.963 55.764 2.978 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 43.620 57.210 3.265 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 45.677 84.061 -9.566 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 44.775 83.778 -9.414 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 46.204 83.281 -9.394 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 46.958 2.319 10.721 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 46.535 2.069 11.542 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 47.765 2.757 10.990 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 26.732 74.000 50.103 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 26.617 74.937 49.942 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 26.162 73.575 49.463 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 69.093 55.609 -11.623 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 68.747 55.775 -10.746 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 69.715 56.321 -11.774 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 36.132 73.777 56.817 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 37.054 74.026 56.744 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 35.672 74.603 56.966 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 60.162 79.876 7.089 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 59.294 80.088 7.433 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 60.150 78.926 6.976 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 80.665 76.293 15.312 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 81.601 76.446 15.183 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 80.611 75.817 16.140 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 63.557 73.544 6.087 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 64.440 73.452 6.445 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 63.223 72.649 6.041 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 82.597 87.505 18.519 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 83.012 86.724 18.153 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 81.725 87.212 18.783 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 53.464 18.778 64.010 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 54.366 18.686 63.705 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 53.074 19.422 63.419 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 56.083 81.192 10.854 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 55.812 80.618 11.570 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 56.590 80.627 10.271 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 26.562 25.695 14.981 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 26.038 25.759 15.779 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 26.721 24.758 14.873 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 80.450 65.045 -2.473 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 80.641 65.019 -3.411 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 80.305 64.130 -2.233 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 55.319 10.236 7.421 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 55.639 10.440 8.299 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 54.500 9.762 7.568 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 84.800 61.101 36.264 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 84.299 61.900 36.101 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 85.714 61.368 36.168 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 26.306 79.533 -2.762 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 27.262 79.541 -2.798 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 26.090 78.726 -2.294 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 62.401 10.462 -14.630 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 61.913 11.010 -14.015 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 63.316 10.710 -14.499 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 57.064 71.766 -6.330 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 56.468 71.284 -5.757 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 56.597 72.576 -6.536 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 60.607 3.783 47.591 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 59.723 3.452 47.751 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 61.148 2.997 47.520 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 63.713 44.446 5.269 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 63.783 43.808 5.979 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 62.788 44.431 5.024 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 60.867 24.207 64.740 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 60.113 24.777 64.896 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 61.586 24.808 64.544 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 45.430 39.890 5.662 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 46.175 39.442 5.262 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 45.568 39.792 6.604 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 47.314 93.400 40.691 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 47.960 93.022 41.287 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 47.438 92.925 39.869 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 83.928 78.047 35.740 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 83.929 78.299 34.816 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 83.135 78.446 36.097 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 25.105 87.162 55.910 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 24.498 86.584 56.373 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 25.315 86.691 55.103 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 67.806 19.005 64.480 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 67.573 18.600 63.645 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 68.088 18.274 65.030 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 65.250 43.494 48.083 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 65.402 42.569 48.280 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 65.140 43.521 47.132 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 22.238 59.549 59.021 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 22.429 59.074 58.212 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 22.291 60.472 58.775 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 60.161 77.116 41.419 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 60.994 76.646 41.377 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 59.506 76.430 41.546 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 40.805 17.334 -9.133 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 41.023 17.403 -8.204 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 41.248 18.078 -9.540 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 87.457 63.650 21.789 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 87.379 63.157 20.972 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 86.865 64.394 21.678 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 51.881 44.472 -0.821 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 52.434 45.066 -1.329 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 52.257 44.488 0.059 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 71.752 74.228 19.032 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 71.421 73.453 19.487 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 71.354 74.966 19.493 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 26.004 88.838 -7.896 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 25.566 88.779 -8.745 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 26.202 87.930 -7.664 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 49.606 79.489 62.435 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 49.401 78.761 61.849 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 50.544 79.402 62.606 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 42.315 48.447 9.802 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 41.897 48.067 10.575 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 43.088 48.896 10.144 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 20.574 7.681 -11.475 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 20.550 8.629 -11.604 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 21.493 7.487 -11.290 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 56.493 45.586 61.309 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 56.757 45.353 62.199 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 56.361 46.534 61.339 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 52.121 63.606 -7.189 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 52.689 64.204 -6.702 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 51.443 64.169 -7.561 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 82.125 71.347 20.717 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 81.231 71.589 20.474 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 82.017 70.650 21.364 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 53.262 28.811 37.014 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 53.457 29.533 36.417 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 53.747 28.067 36.656 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 57.803 53.954 22.912 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 57.294 53.264 22.486 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 57.151 54.597 23.189 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 52.152 72.520 50.400 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 51.605 71.958 50.949 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 52.308 73.299 50.934 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 68.465 57.577 58.270 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 68.336 58.502 58.480 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 68.623 57.565 57.326 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 48.525 92.074 -7.456 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 48.051 91.381 -7.916 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 48.692 92.736 -8.126 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 30.840 6.629 48.434 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 30.997 6.087 47.661 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 29.917 6.876 48.371 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 40.731 90.302 30.445 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 41.456 90.122 29.847 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 39.945 90.191 29.910 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 69.984 67.179 37.297 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 69.405 67.611 37.924 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 69.429 66.531 36.864 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 60.301 7.873 30.433 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 60.299 8.101 31.362 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 60.771 8.591 30.010 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 71.724 80.629 43.307 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 71.128 80.125 43.862 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 72.384 80.969 43.911 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 53.738 3.977 65.050 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 54.382 3.545 65.611 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 53.042 3.329 64.940 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 47.098 17.311 5.629 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 47.000 18.254 5.756 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 46.359 16.927 6.101 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 54.976 75.046 -16.420 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 54.495 75.851 -16.229 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 55.820 75.163 -15.983 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 25.645 58.610 46.387 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 25.814 58.512 45.450 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 25.676 57.717 46.731 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 36.775 82.445 21.276 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 37.714 82.499 21.456 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 36.453 81.774 21.877 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 20.355 10.682 41.793 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 21.023 10.318 41.212 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 20.476 11.630 41.734 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 40.001 92.074 15.397 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 39.224 92.565 15.666 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 39.656 91.261 15.029 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 65.663 66.336 35.562 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 65.089 65.825 36.134 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 65.329 66.174 34.680 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 37.243 4.789 51.653 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 36.774 5.540 51.289 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 36.557 4.231 52.018 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 38.656 0.184 11.518 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 38.857 0.010 10.598 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 39.445 0.604 11.861 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 67.755 0.329 62.695 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 67.855 1.194 63.094 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 66.990 -0.049 63.129 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 55.800 78.122 -4.283 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 55.087 77.629 -3.875 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 55.835 77.794 -5.181 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 46.881 86.971 36.642 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 46.159 86.361 36.789 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 46.943 87.046 35.690 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 37.236 63.159 48.857 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 37.358 64.093 49.027 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 37.670 63.009 48.017 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 36.158 13.824 33.192 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 36.279 14.260 34.036 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 36.837 14.197 32.630 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 50.575 34.257 -9.522 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 50.498 34.296 -8.568 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 51.407 33.810 -9.677 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 87.850 70.548 40.687 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 87.268 69.791 40.761 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 88.611 70.319 41.220 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 83.916 12.499 37.921 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 84.172 13.417 37.841 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 83.530 12.283 37.072 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 39.990 71.246 24.695 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 40.804 71.583 25.069 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 40.161 70.316 24.546 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 72.765 73.646 45.319 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 73.442 74.196 45.713 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 73.249 73.003 44.802 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 42.502 5.940 -15.452 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 43.158 6.272 -14.838 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 41.761 6.538 -15.359 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 29.761 0.632 12.917 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 29.024 0.236 12.452 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 30.532 0.373 12.411 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 79.258 78.351 21.788 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 79.191 77.473 22.164 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 79.779 78.844 22.421 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 53.957 59.325 9.619 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 53.881 59.412 10.569 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 54.632 58.658 9.492 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 21.312 19.915 11.027 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 22.130 20.321 11.316 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 21.586 19.116 10.577 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 27.706 86.125 -10.399 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 26.795 85.885 -10.567 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 28.212 85.587 -11.008 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 42.927 3.922 17.091 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 42.212 3.637 16.523 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 43.606 3.258 16.975 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 72.339 16.933 56.789 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 72.642 16.097 56.433 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 72.875 17.590 56.344 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 22.508 78.783 -13.296 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 22.837 78.495 -12.444 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 22.822 78.121 -13.912 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 20.705 56.576 2.728 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 20.798 55.627 2.654 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 19.786 56.710 2.958 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 46.846 31.455 -7.981 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 46.637 31.665 -7.071 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 46.350 30.657 -8.164 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 24.312 74.485 2.506 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 24.464 73.546 2.616 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 24.947 74.755 1.842 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 65.571 79.895 2.783 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 64.957 79.173 2.643 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 65.272 80.309 3.593 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 51.444 86.563 60.732 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 51.353 85.656 60.440 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 50.762 87.037 60.257 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 81.273 13.166 2.661 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 80.905 13.187 3.544 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 81.628 12.282 2.570 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 46.202 59.545 47.423 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 47.092 59.610 47.077 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 45.796 60.383 47.202 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 88.348 76.516 56.552 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 88.174 77.425 56.797 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 89.301 76.464 56.480 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 25.644 5.747 61.229 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 25.366 6.069 60.372 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 26.545 6.056 61.322 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 58.627 15.854 -14.347 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 59.479 15.539 -14.648 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 58.588 15.599 -13.425 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 41.502 82.612 32.936 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 40.827 82.628 32.258 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 42.242 83.080 32.548 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 80.655 11.322 42.713 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 80.233 11.983 43.260 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 81.565 11.613 42.643 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 83.031 56.349 34.441 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 83.788 56.901 34.637 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 82.367 56.958 34.119 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 85.050 38.822 8.789 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 84.214 38.862 8.323 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 85.012 38.000 9.278 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 52.231 13.529 -3.469 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 52.940 14.166 -3.564 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 51.465 14.056 -3.238 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 75.713 87.987 -12.182 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 76.564 88.061 -11.751 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 75.862 88.321 -13.066 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 39.666 0.098 50.191 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 39.130 0.606 50.799 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 39.781 0.673 49.434 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 87.031 5.932 -11.043 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 86.788 5.857 -10.120 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 86.710 5.123 -11.441 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 30.480 83.209 7.961 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 29.780 83.859 8.019 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 30.041 82.370 8.102 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 33.205 70.214 -17.352 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 33.894 70.768 -17.720 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 33.226 69.420 -17.886 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 45.557 68.675 31.034 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 46.134 67.913 30.976 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 45.730 69.042 31.901 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 60.607 6.716 10.583 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 60.457 7.219 9.782 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 59.997 5.981 10.522 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 44.404 14.313 11.428 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 44.397 15.011 12.084 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 43.607 13.812 11.602 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 62.469 72.774 50.878 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 63.162 73.388 50.635 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 62.418 72.834 51.832 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 39.191 77.354 56.001 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 39.212 78.049 55.344 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 39.872 77.596 56.629 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 38.159 90.650 -16.551 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 38.821 91.001 -15.956 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 38.513 90.810 -17.426 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 54.325 69.349 59.644 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 54.292 68.788 58.869 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 53.501 69.836 59.624 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 78.825 71.308 10.944 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 78.481 71.506 10.072 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 79.047 70.378 10.909 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 39.052 86.004 27.691 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 39.767 86.622 27.840 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 39.454 85.141 27.794 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 70.031 23.620 13.398 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 70.157 24.125 14.201 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 69.856 22.729 13.700 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 30.925 78.750 55.433 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 30.590 77.887 55.188 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 31.843 78.597 55.657 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 49.696 87.810 -3.610 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 48.773 87.559 -3.574 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 49.937 87.970 -2.698 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 23.009 81.318 35.264 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 22.795 81.582 34.369 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 22.159 81.218 35.693 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 63.482 23.962 -2.983 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 64.331 23.523 -2.932 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 62.916 23.461 -2.396 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 74.385 3.513 35.368 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 73.811 2.747 35.404 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 74.735 3.592 36.255 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 61.578 52.283 51.324 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 61.898 52.449 50.438 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 61.193 51.408 51.280 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 32.976 51.137 8.733 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 33.703 50.842 9.282 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 33.300 51.046 7.837 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 38.040 74.801 33.550 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 37.921 74.485 32.654 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 38.847 74.381 33.847 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 78.152 94.700 41.690 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 77.864 95.607 41.586 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 78.739 94.548 40.950 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 39.654 84.329 3.779 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 39.799 83.386 3.695 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 38.702 84.424 3.797 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 48.757 68.837 65.843 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 48.911 69.542 65.214 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 48.299 69.259 66.570 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 83.896 75.982 32.493 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 82.952 75.883 32.615 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 84.038 76.929 32.479 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 79.015 80.791 19.309 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 78.819 79.867 19.150 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 78.624 80.976 20.162 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 40.813 35.150 62.609 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 40.201 35.042 61.881 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 41.403 34.399 62.540 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 57.685 87.607 7.288 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 57.775 86.657 7.209 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 56.935 87.729 7.870 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 79.228 61.872 -4.531 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 79.553 62.362 -5.287 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 78.328 61.643 -4.762 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 28.118 50.518 46.664 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 28.655 51.061 47.241 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 27.959 51.066 45.896 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 64.810 88.105 -11.144 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 64.324 88.774 -10.662 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 64.308 87.977 -11.949 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 83.557 72.558 27.353 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 83.244 71.655 27.414 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 84.129 72.562 26.586 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 24.184 2.511 -3.658 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 24.362 2.956 -4.486 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 23.668 1.743 -3.904 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 43.804 33.211 48.063 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 44.445 32.537 48.289 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 44.120 33.575 47.237 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 70.181 48.334 -0.461 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 69.729 47.669 0.058 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 70.177 49.115 0.093 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 36.022 51.575 29.569 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 36.265 52.469 29.807 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 35.630 51.213 30.363 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 80.802 50.750 45.474 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 80.596 51.478 46.060 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 80.265 50.906 44.697 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 90.716 54.687 -18.744 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 90.696 53.844 -18.291 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 89.841 55.051 -18.612 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 45.039 75.661 -5.463 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 45.865 75.893 -5.888 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 45.241 74.872 -4.961 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 55.319 8.472 15.454 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 55.195 7.558 15.199 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 55.635 8.902 14.660 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 71.193 63.801 66.252 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 70.312 64.173 66.245 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 71.078 62.904 65.940 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 47.324 72.685 -8.078 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 47.372 72.698 -7.123 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 47.954 72.014 -8.341 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 42.483 83.345 40.361 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 42.058 83.268 41.214 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 43.418 83.267 40.550 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 56.134 66.642 11.255 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 55.992 65.814 10.797 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 56.777 66.435 11.933 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 38.132 94.796 30.240 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 38.856 95.030 30.821 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 38.521 94.779 29.366 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 84.785 82.303 62.058 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 84.963 82.420 61.125 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 84.033 81.712 62.087 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 31.644 86.815 3.247 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 31.794 86.332 4.060 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 32.479 86.768 2.782 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 35.142 40.971 58.466 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 35.649 40.255 58.850 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 34.346 40.553 58.139 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 38.745 4.492 63.251 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 37.921 4.748 63.665 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 39.250 5.304 63.200 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 67.818 95.633 7.762 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 68.134 95.790 8.652 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 67.601 94.701 7.745 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 39.421 28.302 -19.072 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 39.914 28.691 -18.350 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 38.503 28.410 -18.821 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 23.856 17.882 33.405 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 23.754 17.097 32.866 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 23.081 17.891 33.966 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 35.930 48.093 17.147 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 36.292 48.576 17.890 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 36.687 47.659 16.753 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 26.653 76.672 -19.375 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 27.074 77.476 -19.071 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 27.226 75.970 -19.066 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 43.832 76.150 56.893 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 44.649 76.540 56.579 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 43.164 76.477 56.291 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 36.550 0.484 48.963 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 36.152 1.264 49.350 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 37.400 0.784 48.641 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 35.373 54.071 64.330 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 36.136 54.287 64.865 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 34.775 54.807 64.456 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 50.258 63.744 65.755 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 50.776 63.045 66.154 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 50.488 64.528 66.253 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 64.292 93.809 56.754 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 63.782 94.369 57.339 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 64.880 94.411 56.298 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 77.366 49.019 3.838 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 76.706 49.677 4.057 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 77.619 48.644 4.682 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 59.951 13.033 4.104 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 59.396 13.563 4.675 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 59.731 13.323 3.218 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 38.693 40.744 -6.978 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 39.431 41.259 -6.652 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 39.054 39.867 -7.111 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 52.981 86.464 17.030 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 53.641 86.173 16.401 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 52.147 86.338 16.578 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 33.156 8.818 35.771 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 32.503 8.990 36.449 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 33.420 9.686 35.466 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 84.641 69.939 6.569 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 84.922 69.457 7.347 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 85.053 69.477 5.838 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 61.628 94.033 27.288 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 61.541 94.341 26.386 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 61.188 93.183 27.295 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 52.244 96.065 -13.524 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 51.980 96.979 -13.625 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 51.419 95.581 -13.471 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 65.340 85.644 42.091 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 64.541 85.148 42.268 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 65.382 86.292 42.794 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 67.199 75.299 50.023 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 68.094 75.043 49.800 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 66.835 75.635 49.204 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 43.612 76.425 27.063 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 44.243 76.000 26.482 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 43.706 75.965 27.897 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 41.825 64.647 1.100 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 42.443 64.131 0.581 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 41.398 64.008 1.670 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 83.437 72.294 65.000 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 82.695 72.190 65.596 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 83.041 72.340 64.129 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 90.405 69.449 29.713 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 90.848 70.273 29.915 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 90.282 69.469 28.764 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 73.479 91.380 -6.960 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 72.735 91.968 -7.093 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 74.177 91.947 -6.633 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 59.514 69.569 28.946 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 59.085 69.004 28.304 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 58.924 69.568 29.699 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 33.970 11.214 50.285 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 33.184 10.730 50.030 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 34.695 10.632 50.057 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 38.326 10.994 -19.705 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 38.373 11.700 -19.061 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 39.146 11.061 -20.195 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 84.073 83.072 54.145 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 83.758 82.808 53.280 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 84.554 83.884 53.987 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 81.149 70.993 50.852 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 82.087 70.846 50.974 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 80.746 70.638 51.644 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 82.046 90.064 21.691 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 82.381 89.225 22.008 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 81.443 90.355 22.374 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 54.253 64.738 13.776 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 54.920 64.258 13.286 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 54.022 64.156 14.501 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 74.829 33.453 -13.856 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 75.704 33.639 -14.196 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 74.885 33.656 -12.923 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 54.328 70.229 4.366 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 53.889 70.218 5.216 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 55.239 70.008 4.564 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 22.699 14.165 -4.900 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 23.549 14.310 -4.486 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 22.622 14.869 -5.543 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 51.021 56.741 -7.258 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 50.579 55.932 -6.999 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 51.557 56.490 -8.010 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 25.858 51.419 -2.979 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 25.246 51.294 -2.254 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 25.732 52.330 -3.245 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 47.057 82.804 30.406 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 46.463 82.068 30.255 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 47.788 82.649 29.808 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 72.728 74.771 -6.479 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 72.707 73.957 -5.975 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 73.648 74.880 -6.719 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 39.967 10.946 27.457 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 40.319 11.836 27.449 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 40.323 10.540 26.666 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 62.661 50.516 11.469 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 61.799 50.857 11.708 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 62.874 49.894 12.165 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 80.526 30.737 6.536 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 80.646 31.323 7.283 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 79.678 30.322 6.690 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 51.016 1.919 -5.887 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 50.204 2.411 -6.006 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 50.776 1.011 -6.070 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 34.611 65.115 40.337 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 35.027 64.464 40.903 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 35.076 65.041 39.504 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 76.056 62.068 9.078 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 75.894 62.706 9.773 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 76.685 62.498 8.499 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 59.861 22.894 1.851 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 60.804 22.868 2.009 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 59.549 23.630 2.378 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 47.055 71.178 64.990 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 47.761 71.781 65.222 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 47.021 71.204 64.033 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 79.900 18.305 64.492 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 79.634 18.200 63.579 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 80.605 17.670 64.612 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 78.226 44.999 23.777 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 79.170 45.025 23.934 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 77.969 44.105 24.003 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 76.380 62.355 51.490 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 75.428 62.410 51.571 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 76.685 63.250 51.638 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 32.286 45.206 24.393 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 31.449 45.579 24.116 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 32.844 45.966 24.559 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 40.416 70.624 63.420 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 41.073 71.287 63.631 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 39.592 70.994 63.737 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 57.529 90.346 5.956 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 57.678 90.481 5.020 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 57.802 89.442 6.114 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 61.200 70.316 47.799 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 62.054 70.531 48.174 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 61.143 69.363 47.863 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 57.073 11.262 59.185 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 57.386 10.576 58.596 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 56.440 10.821 59.752 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 56.003 84.806 41.736 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 56.372 83.923 41.716 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 56.706 85.367 41.408 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 29.207 36.603 55.149 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 29.310 37.249 54.450 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 28.463 36.920 55.661 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 60.159 30.072 59.058 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 60.544 29.510 59.730 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 60.892 30.595 58.734 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 33.373 66.042 -10.638 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 32.454 66.272 -10.501 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 33.430 65.120 -10.390 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 66.134 81.737 -2.935 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 67.000 81.953 -3.281 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 66.190 80.808 -2.711 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 61.647 83.087 15.838 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 61.388 83.474 16.674 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 60.855 83.123 15.301 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 47.913 90.340 31.402 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 47.943 89.393 31.537 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 46.982 90.559 31.439 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 76.657 68.797 41.978 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 76.344 68.611 42.863 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 76.005 69.397 41.614 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 58.909 5.399 -13.644 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 58.996 4.484 -13.375 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 59.794 5.756 -13.570 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 36.496 91.622 0.312 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 36.990 92.433 0.431 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 35.599 91.849 0.557 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 42.501 33.024 9.135 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 42.483 33.206 10.075 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 41.873 33.642 8.760 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 52.435 35.284 61.629 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 51.881 35.922 62.078 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 53.058 34.995 62.296 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 65.511 22.254 -19.194 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 65.591 23.203 -19.291 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 66.359 21.976 -18.848 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 22.220 25.452 18.494 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 22.951 25.007 18.923 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 21.715 25.831 19.214 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 87.339 71.139 56.050 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 87.746 70.273 56.092 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 87.667 71.519 55.235 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 20.350 48.473 18.859 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 20.700 49.270 18.460 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 20.807 48.403 19.697 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 46.002 18.834 44.725 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 46.446 18.005 44.544 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 45.603 19.079 43.890 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 25.179 94.101 41.134 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 25.436 94.291 40.232 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 24.570 93.366 41.061 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 81.569 4.954 65.630 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 81.159 4.212 66.075 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 81.234 5.724 66.088 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 46.200 91.908 34.324 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 46.226 92.222 33.421 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 45.443 91.323 34.354 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 41.674 44.932 -19.372 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 42.543 44.610 -19.610 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 41.538 44.618 -18.478 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 49.794 11.792 -18.329 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 48.997 11.596 -18.822 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 50.065 10.949 -17.967 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 29.028 55.000 1.360 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 29.128 54.049 1.314 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 29.509 55.254 2.147 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 69.491 11.160 44.687 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 68.619 10.933 45.010 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 70.090 10.654 45.237 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 36.933 58.127 -6.175 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 36.401 57.463 -5.736 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 36.317 58.832 -6.377 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 71.736 68.949 19.948 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 71.659 69.161 19.018 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 72.016 68.034 19.964 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 56.610 56.231 55.129 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 56.074 56.538 55.861 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 55.985 56.089 54.418 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 58.462 66.699 -15.208 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 58.722 66.232 -14.414 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 57.929 66.069 -15.693 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 70.212 54.199 1.059 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 70.857 54.217 1.766 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 69.604 54.907 1.272 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 26.963 20.457 16.876 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 26.255 19.951 16.479 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 27.724 20.281 16.322 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 65.327 78.636 -7.416 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 65.613 77.771 -7.122 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 65.731 79.245 -6.797 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 36.004 96.468 19.563 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 35.802 95.757 18.954 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 36.959 96.520 19.563 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 27.591 87.214 12.006 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 28.033 86.443 12.361 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 28.259 87.901 12.020 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 26.385 40.180 52.971 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 26.669 40.027 53.872 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 26.876 40.953 52.692 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 78.313 47.138 33.626 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 78.189 46.260 33.266 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 77.790 47.144 34.428 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 85.000 54.607 33.521 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 84.244 55.166 33.697 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 85.004 54.502 32.569 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 83.509 1.571 32.835 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 83.177 0.740 32.496 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 83.925 1.342 33.666 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 62.889 14.727 1.730 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 63.238 15.403 2.312 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 61.951 14.910 1.687 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 74.615 36.756 64.290 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 73.915 37.293 63.919 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 74.465 36.785 65.235 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 61.246 59.302 21.130 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 60.994 59.590 20.253 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 60.662 59.782 21.718 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 27.145 12.485 33.067 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 26.673 13.075 33.655 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 28.022 12.863 33.000 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 65.119 80.976 57.234 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 64.588 81.315 56.513 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 64.565 80.316 57.651 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 45.641 28.866 -7.499 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 45.662 27.923 -7.341 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 45.099 29.216 -6.792 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 37.230 59.720 47.834 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 37.335 60.602 48.191 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 38.106 59.475 47.537 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 27.871 42.914 -0.170 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 27.548 43.157 -1.038 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 27.428 43.515 0.428 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 34.549 83.133 5.568 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 33.777 83.542 5.179 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 34.834 82.491 4.918 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 83.437 54.023 22.634 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 82.556 53.683 22.793 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 83.406 54.926 22.949 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 74.757 90.398 40.172 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 75.226 91.043 40.702 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 74.159 90.918 39.635 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 73.011 83.582 37.482 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 73.053 84.162 38.242 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 72.118 83.237 37.492 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 69.648 56.127 26.168 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 69.108 55.350 26.022 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 69.040 56.861 26.085 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 62.041 72.521 32.780 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 61.524 71.925 32.238 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 62.949 72.257 32.629 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 46.570 78.570 44.191 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 45.835 79.163 44.343 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 46.341 77.776 44.673 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 89.992 4.010 39.937 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 89.456 3.689 40.662 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 90.542 4.689 40.328 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 66.353 80.352 7.290 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 66.070 80.626 8.162 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 65.705 79.701 7.021 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 53.720 56.827 63.234 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 53.034 56.986 62.587 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 53.252 56.514 64.008 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 24.991 65.251 64.122 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 25.222 65.256 63.193 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 24.498 66.062 64.250 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 33.923 79.590 52.968 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 34.149 79.385 52.061 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 34.164 80.510 53.073 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 75.570 5.311 -11.940 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 74.695 5.693 -12.001 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 75.948 5.702 -11.152 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 57.770 63.215 -10.711 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 56.865 63.052 -10.446 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 58.180 62.350 -10.712 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 29.235 72.055 58.034 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 30.074 72.516 58.061 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 28.583 72.732 58.216 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 34.432 17.361 18.514 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 34.845 18.071 18.022 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 33.501 17.585 18.522 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 51.721 7.643 43.877 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 50.905 7.942 44.278 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 52.301 7.464 44.617 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 61.100 22.310 27.134 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 60.563 22.494 26.363 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 60.763 22.902 27.807 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 81.007 3.699 -16.432 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 81.620 4.296 -16.003 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 80.965 2.939 -15.851 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 63.098 88.484 31.451 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 63.193 87.534 31.520 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 62.921 88.772 32.347 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 27.717 36.620 35.513 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 27.510 37.550 35.419 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 26.874 36.203 35.691 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 66.704 62.610 39.557 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 67.111 62.954 38.761 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 65.948 62.113 39.243 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 80.294 83.336 56.890 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 80.808 83.648 56.145 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 80.869 83.458 57.646 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 31.174 15.617 59.439 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 31.710 15.548 58.649 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 31.153 14.728 59.794 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 82.198 58.540 12.291 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 83.071 58.214 12.070 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 81.698 57.755 12.515 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 41.310 2.172 0.311 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 40.756 2.217 -0.468 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 41.437 3.086 0.568 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 58.675 57.762 59.639 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 58.802 57.458 58.740 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 57.791 58.130 59.644 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 82.235 79.576 56.275 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 81.522 79.021 55.959 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 81.859 80.456 56.308 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 23.298 29.382 43.053 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 23.422 28.556 43.519 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 22.562 29.217 42.464 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 53.202 11.895 17.812 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 53.995 11.611 18.267 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 53.410 12.773 17.493 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 38.918 78.770 12.444 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 38.698 79.052 11.556 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 39.643 78.155 12.328 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 33.669 3.809 -11.704 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 33.379 4.552 -11.175 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 33.591 3.054 -11.121 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 32.611 62.450 54.902 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 32.977 63.179 54.401 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 32.646 61.705 54.302 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 46.516 52.167 -14.374 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 46.365 52.408 -13.460 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 46.754 52.990 -14.802 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 78.081 18.395 55.900 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 78.000 18.957 56.671 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 77.828 18.956 55.167 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 28.837 19.624 39.757 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 29.487 19.030 40.132 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 29.081 20.488 40.089 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 47.122 76.777 29.416 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 46.845 75.981 28.962 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 47.596 76.462 30.185 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 61.911 60.152 -10.111 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 61.311 60.499 -9.450 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 61.576 59.276 -10.302 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 75.473 80.911 25.453 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 75.364 81.753 25.011 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 74.610 80.501 25.406 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 60.155 93.919 -10.625 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 60.183 93.832 -9.672 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 59.238 94.109 -10.823 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 81.398 72.491 9.703 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 82.346 72.504 9.573 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 81.216 71.624 10.065 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 23.887 35.341 8.601 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 23.699 36.115 9.132 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 24.833 35.371 8.461 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 78.934 22.506 7.237 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 78.701 21.741 6.711 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 78.543 22.336 8.094 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 26.862 33.059 59.972 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 25.940 32.998 60.225 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 27.123 32.156 59.794 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 61.321 72.761 57.212 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 61.276 72.156 57.952 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 61.131 72.219 56.446 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 49.720 81.672 36.321 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 49.270 81.151 35.655 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 49.424 82.569 36.165 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 63.958 28.995 -7.268 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 63.346 29.385 -6.644 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 63.462 28.931 -8.084 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 55.348 92.272 8.333 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 56.167 92.176 8.819 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 54.663 92.164 8.993 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 72.623 50.408 50.716 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 71.682 50.272 50.822 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 72.795 51.244 51.148 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 27.631 13.571 54.128 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 28.538 13.494 54.423 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 27.531 12.876 53.477 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 56.234 58.942 15.382 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 55.992 59.603 14.734 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 55.774 59.205 16.178 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 25.436 84.357 -6.266 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 24.657 84.026 -5.819 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 25.658 85.161 -5.797 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 35.202 80.844 8.675 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 34.815 80.087 9.116 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 34.475 81.458 8.571 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 62.780 39.734 3.897 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 61.881 39.407 3.859 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 62.786 40.334 4.642 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 35.716 36.708 -19.131 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 35.656 36.406 -20.037 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 34.900 37.187 -18.983 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 53.847 11.123 43.023 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 53.798 11.385 43.942 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 54.475 11.732 42.634 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 54.231 88.365 40.724 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 54.570 89.252 40.848 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 54.485 88.133 39.831 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 53.468 84.633 1.475 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 52.534 84.597 1.266 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 53.504 84.551 2.428 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 75.647 56.487 2.195 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 76.306 56.425 1.504 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 76.153 56.538 3.006 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 76.951 53.047 52.354 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 76.075 52.899 51.997 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 77.318 53.743 51.809 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 85.093 87.847 -9.009 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 85.366 87.149 -9.604 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 84.136 87.806 -9.016 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 46.956 21.205 -14.951 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 47.067 21.943 -15.551 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 47.007 21.595 -14.078 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 55.347 15.195 55.344 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 54.412 15.029 55.462 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 55.391 16.086 54.995 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 58.729 13.194 -3.315 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 58.026 13.019 -3.940 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 58.564 12.589 -2.592 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 32.573 49.054 0.931 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 33.465 49.267 1.206 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 32.680 48.623 0.083 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 77.417 92.580 15.235 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 77.684 93.069 16.013 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 78.062 91.877 15.161 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 90.006 52.227 38.736 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 89.467 51.759 38.098 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 90.727 51.627 38.928 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 78.539 7.991 -15.684 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 78.499 7.528 -14.847 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 79.228 7.543 -16.174 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 61.016 51.693 -0.508 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 60.382 51.125 -0.071 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 61.122 52.436 0.086 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 57.585 68.735 38.139 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 57.952 69.491 37.681 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 56.943 68.372 37.529 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 84.229 56.346 61.917 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 84.747 57.103 61.643 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 83.327 56.664 61.929 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 56.279 75.122 36.888 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 55.978 74.640 37.657 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 55.754 74.775 36.166 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 82.871 79.363 -17.924 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 83.140 80.279 -17.860 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 83.168 79.085 -18.791 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 41.780 2.338 -3.840 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 42.396 1.669 -3.538 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 41.241 2.530 -3.073 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 55.849 79.357 1.942 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 55.644 79.822 2.753 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 55.963 78.445 2.210 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 39.002 80.439 21.543 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 38.526 80.571 20.724 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 39.175 79.498 21.570 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 74.844 71.762 61.216 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 75.012 70.822 61.151 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 73.890 71.834 61.234 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 76.376 70.297 18.786 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 75.970 71.076 18.405 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 75.703 69.620 18.722 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 65.047 42.687 2.344 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 65.420 43.469 2.750 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 64.101 42.790 2.447 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 88.578 88.920 21.831 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 88.952 89.761 21.571 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 89.331 88.395 22.100 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 76.163 58.858 26.895 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 75.868 59.378 26.148 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 75.593 58.089 26.892 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 84.192 89.214 -17.736 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 84.096 88.434 -18.282 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 85.125 89.423 -17.777 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 48.477 71.089 25.240 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 49.404 70.901 25.092 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 48.014 70.470 24.676 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 26.825 32.038 7.097 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 25.965 32.312 6.778 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 26.634 31.465 7.840 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 40.011 94.588 66.015 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 40.955 94.435 66.046 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 39.900 95.474 66.361 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 65.368 64.588 -6.683 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 65.569 64.977 -5.832 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 65.175 63.671 -6.488 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 81.945 28.374 52.595 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 81.711 28.626 51.702 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 82.886 28.542 52.653 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 49.471 24.576 63.838 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 50.065 24.495 63.092 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 49.668 25.436 64.210 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 35.165 93.099 -12.063 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 35.394 93.975 -12.372 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 35.287 93.140 -11.114 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 57.774 20.909 36.669 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 56.961 20.404 36.690 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 57.774 21.328 35.808 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 79.950 49.356 19.923 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 80.311 48.997 19.112 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 79.005 49.378 19.776 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 39.419 22.298 35.516 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 38.742 22.906 35.813 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 39.860 22.759 34.803 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 31.605 70.338 20.204 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 31.555 69.411 20.439 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 32.442 70.424 19.748 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 42.887 72.217 25.927 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 43.033 71.280 25.801 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 43.385 72.635 25.224 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 33.530 76.058 17.490 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 34.111 75.444 17.042 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 34.084 76.474 18.150 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 77.935 87.655 25.690 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 77.781 87.137 26.480 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 78.521 87.115 25.160 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 50.700 92.381 45.603 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 50.767 91.755 46.324 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 49.808 92.720 45.662 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 88.322 87.501 26.674 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 88.286 87.845 25.782 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 87.459 87.113 26.817 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 61.314 61.272 66.955 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 62.208 61.602 66.870 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 60.934 61.382 66.083 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 63.289 84.921 18.259 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 64.160 85.319 18.239 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 63.398 84.134 18.792 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 58.622 84.161 23.056 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 58.369 83.303 22.713 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 57.843 84.705 22.939 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 62.133 71.876 36.879 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 61.581 71.212 37.290 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 61.572 72.277 36.215 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 46.556 15.968 41.771 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 46.466 15.052 42.033 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 45.833 16.116 41.161 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 67.501 10.300 3.709 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 68.104 9.600 3.960 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 67.927 11.103 4.010 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 20.997 2.848 49.222 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 21.300 3.619 48.742 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 20.068 2.778 49.002 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 60.880 87.752 -19.697 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 60.876 87.828 -18.743 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 61.668 88.222 -19.972 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 78.847 62.000 -18.230 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 79.466 62.211 -18.929 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 77.999 61.942 -18.670 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 54.627 6.774 -8.308 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 54.766 6.608 -9.241 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 54.021 6.087 -8.031 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 55.254 67.648 40.227 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 55.626 67.825 39.363 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 55.769 66.915 40.564 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 77.829 75.667 66.628 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 78.162 76.502 66.955 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 78.579 75.263 66.192 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 69.435 64.977 9.777 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 68.507 64.796 9.928 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 69.827 64.115 9.636 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 82.731 87.466 1.011 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 82.492 87.109 1.866 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 81.922 87.425 0.500 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 41.224 93.911 40.707 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 40.464 93.333 40.650 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 40.893 94.702 41.132 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 76.502 40.402 -4.465 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 76.190 39.625 -4.929 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 76.427 41.110 -5.105 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 29.237 70.409 7.216 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 29.846 69.902 7.754 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 29.592 71.298 7.226 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 51.368 58.933 60.856 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 51.181 59.128 59.938 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 50.623 59.297 61.335 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 24.687 34.842 44.486 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 24.140 35.573 44.775 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 24.796 34.301 45.268 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 58.216 17.366 29.336 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 59.082 17.167 29.691 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 58.286 17.165 28.403 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 84.933 57.709 30.463 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 84.350 58.463 30.381 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 84.650 57.110 29.773 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 46.278 93.604 65.712 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 47.214 93.536 65.898 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 45.964 94.289 66.303 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 36.787 62.017 23.264 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 37.315 61.748 22.512 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 37.271 61.696 24.025 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 32.371 65.442 -3.107 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 32.563 66.236 -2.610 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 31.685 65.003 -2.605 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 50.841 79.791 33.377 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 51.572 79.819 33.995 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 50.672 78.857 33.249 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 45.769 3.873 18.041 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 46.545 3.414 17.720 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 46.093 4.426 18.751 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 88.410 67.504 34.438 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 88.773 68.227 33.927 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 87.998 66.934 33.789 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 80.585 48.482 36.082 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 80.811 47.734 36.635 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 80.172 49.106 36.679 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 39.155 89.302 51.927 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 39.598 89.217 51.083 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 38.600 90.076 51.830 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 46.232 2.112 13.338 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 45.890 2.805 13.902 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 45.481 1.541 13.176 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 30.812 8.234 -17.816 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 30.569 7.738 -18.598 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 30.242 7.890 -17.128 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 41.675 71.661 53.875 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 42.039 72.286 53.247 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 41.398 70.917 53.340 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 51.978 86.471 29.166 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 51.262 86.150 28.618 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 51.776 87.396 29.307 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 53.244 65.893 59.783 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 52.446 66.255 59.398 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 53.353 65.044 59.354 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 52.954 15.766 40.678 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 52.014 15.907 40.568 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 53.341 16.634 40.565 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 25.412 80.973 49.619 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 26.186 81.524 49.501 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 25.045 81.252 50.458 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 74.359 41.406 28.389 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 73.406 41.359 28.321 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 74.552 42.344 28.419 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 60.024 94.797 52.465 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 59.896 94.565 51.546 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 59.911 95.747 52.491 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 28.196 26.385 52.337 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 28.433 27.239 52.700 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 27.336 26.196 52.712 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 57.186 17.997 -3.194 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 57.300 18.945 -3.137 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 57.663 17.745 -3.984 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 62.337 12.410 27.040 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 62.545 12.951 27.802 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 62.821 12.814 26.320 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 68.324 85.458 61.240 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 68.988 85.971 61.701 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 68.288 85.844 60.365 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 77.001 81.800 54.666 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 77.832 82.158 54.353 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 77.248 81.194 55.364 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 32.556 76.530 53.079 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 33.030 76.047 53.756 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 32.890 77.425 53.145 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 56.225 95.428 11.397 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 56.335 95.707 10.488 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 56.572 96.154 11.915 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 21.769 59.513 35.923 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 21.722 59.383 36.870 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 22.448 60.177 35.805 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 55.512 29.306 2.921 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 56.056 30.000 3.295 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 54.846 29.769 2.414 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 85.770 67.571 8.310 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 86.286 67.497 9.113 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 85.331 66.725 8.228 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 69.285 62.624 22.960 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 69.075 63.470 23.355 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 68.548 62.442 22.376 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 52.394 69.740 43.766 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 51.441 69.706 43.686 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 52.692 68.889 43.445 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 55.460 57.087 58.875 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 55.040 57.485 58.113 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 55.783 56.244 58.558 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 72.818 35.164 -17.670 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 72.043 35.542 -18.085 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 72.541 34.290 -17.395 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 35.760 32.715 -0.877 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 36.081 32.949 -0.006 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 35.326 31.871 -0.754 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 84.110 75.659 46.659 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 83.445 75.688 45.972 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 84.173 74.733 46.893 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 45.858 73.038 30.815 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 46.234 72.874 31.679 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 46.607 73.014 30.219 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 44.261 62.915 53.956 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 45.088 63.280 54.269 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 44.227 63.154 53.030 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 34.850 94.785 22.402 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 34.015 94.317 22.424 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 34.633 95.675 22.681 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 55.175 19.103 49.268 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 55.755 18.378 49.502 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 54.332 18.687 49.085 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 82.204 77.017 1.497 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 82.238 76.148 1.097 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 82.860 76.987 2.193 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 28.451 49.613 30.912 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 28.451 48.916 30.257 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 28.606 50.414 30.411 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 67.416 79.326 14.171 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 67.753 79.772 14.948 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 66.466 79.329 14.286 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 39.333 3.558 -10.944 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 39.371 3.119 -10.094 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 38.988 4.429 -10.749 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 50.289 69.133 41.895 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 50.253 69.449 40.992 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 49.381 68.921 42.112 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 24.420 63.696 66.067 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 24.111 62.966 65.531 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 24.492 64.429 65.455 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 78.858 4.870 6.463 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 79.471 5.331 5.891 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 78.876 3.964 6.155 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 37.626 50.929 -14.719 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 38.491 51.309 -14.571 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 37.386 51.215 -15.600 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 44.491 85.023 13.402 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 45.310 84.966 12.910 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 43.907 84.399 12.970 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 61.739 62.392 -3.757 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 61.083 61.885 -3.278 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 62.553 62.248 -3.274 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 56.462 60.683 17.976 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 57.288 61.133 18.153 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 55.797 61.368 18.036 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 32.707 92.964 26.961 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 32.576 92.734 26.042 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 33.465 93.549 26.956 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 36.954 87.678 16.085 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 36.164 87.139 16.110 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 37.005 88.071 16.957 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 90.544 82.252 39.132 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 90.951 82.844 39.764 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 89.650 82.135 39.454 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 75.051 51.816 8.208 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 74.992 51.597 9.138 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 74.948 50.978 7.757 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 71.994 87.111 26.510 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 71.228 86.577 26.300 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 72.556 87.038 25.739 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 59.370 63.851 -17.633 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 59.080 62.960 -17.831 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 58.604 64.272 -17.243 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 33.554 86.183 37.516 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 34.022 86.479 36.736 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 33.853 85.283 37.648 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 65.683 34.394 -4.151 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 66.187 33.600 -3.973 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 64.782 34.163 -3.928 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 21.774 10.056 64.158 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 21.866 9.658 63.292 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 22.666 10.304 64.403 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 86.854 57.309 45.990 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 87.510 57.501 45.320 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 87.360 57.183 46.792 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 20.757 5.850 5.707 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 20.040 6.322 6.132 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 21.437 5.792 6.378 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 78.076 1.472 58.012 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 77.892 1.623 58.939 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 78.988 1.181 57.992 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 86.925 71.087 -1.669 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 87.486 70.663 -1.019 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 86.054 70.724 -1.508 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 67.800 15.458 60.830 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 66.892 15.246 61.043 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 68.114 14.700 60.336 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 87.274 19.126 -7.574 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 87.716 19.404 -6.772 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 86.346 19.111 -7.344 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 88.771 70.527 45.283 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 88.734 70.369 44.340 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 88.895 71.473 45.364 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 83.013 29.966 5.972 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 83.686 30.541 6.338 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 82.185 30.374 6.226 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 70.303 57.171 1.978 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 69.628 57.404 2.616 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 70.906 56.607 2.462 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 54.021 28.181 32.009 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 53.761 28.098 32.927 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 54.964 28.018 32.011 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 38.297 3.423 2.029 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 38.237 3.921 2.844 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 38.920 2.722 2.222 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 53.558 20.382 3.175 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 53.347 20.036 4.042 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 52.909 19.985 2.594 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 50.026 75.633 27.776 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 50.602 75.809 27.032 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 49.707 74.743 27.627 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 74.663 94.929 30.010 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 74.302 95.531 29.359 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 74.073 95.004 30.759 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 52.716 71.463 29.472 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 52.552 70.559 29.203 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 52.003 71.964 29.076 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 66.835 82.836 57.997 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 66.395 83.423 58.612 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 66.213 82.122 57.859 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 40.770 53.003 28.333 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 40.799 53.889 28.694 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 41.673 52.691 28.388 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 49.601 15.696 43.979 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 50.126 15.656 44.779 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 50.112 15.211 43.332 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 55.824 11.856 33.667 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 55.602 11.898 34.597 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 55.383 11.068 33.350 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 54.794 49.410 51.202 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 55.356 48.643 51.312 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 55.316 50.018 50.679 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 51.135 81.836 -5.034 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 50.870 81.142 -4.431 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 51.623 81.383 -5.722 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 60.540 6.338 34.718 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 60.486 5.400 34.537 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 61.117 6.403 35.479 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 71.275 55.141 66.339 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 71.115 56.069 66.167 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 72.087 55.127 66.845 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 80.428 56.825 3.254 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 80.293 56.778 4.201 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 80.077 56.000 2.920 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 66.786 0.778 25.755 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 66.558 1.668 26.025 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 66.637 0.769 24.809 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 84.966 82.335 22.077 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 85.133 82.432 23.015 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 84.251 82.945 21.897 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 66.066 48.992 64.690 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 66.761 49.144 65.330 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 65.321 49.495 65.020 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 32.965 73.201 8.803 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 32.192 73.765 8.790 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 33.575 73.642 9.393 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 53.099 8.969 39.483 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 53.360 9.082 40.397 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 53.159 8.026 39.331 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 21.539 12.150 4.330 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 22.155 11.880 5.011 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 21.554 13.107 4.359 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 48.258 25.221 -14.455 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 47.421 25.453 -14.053 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 48.917 25.563 -13.851 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 65.758 91.633 37.619 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 66.161 92.480 37.428 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 64.936 91.643 37.129 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 83.508 33.721 -10.510 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 82.582 33.748 -10.749 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 83.856 32.963 -10.980 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 78.858 41.342 1.910 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 79.771 41.341 1.622 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 78.815 42.034 2.569 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 85.063 0.264 10.916 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 84.401 -0.179 10.386 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 85.237 1.081 10.448 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 85.700 91.805 30.927 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 86.589 91.925 30.593 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 85.548 90.862 30.873 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 54.578 94.937 8.760 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 55.438 95.350 8.686 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 54.721 94.032 8.484 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 89.498 87.756 65.370 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 90.045 87.769 66.155 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 89.156 86.863 65.330 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 24.395 56.551 -17.470 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 24.950 56.298 -18.207 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 24.056 55.723 -17.129 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 28.750 13.762 30.462 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 29.276 13.110 29.999 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 28.890 13.569 31.389 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 78.986 33.690 55.905 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 78.164 33.201 55.879 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 79.301 33.677 55.001 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 25.942 85.302 33.548 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 26.200 84.477 33.136 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 26.238 85.220 34.455 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 51.450 68.247 4.692 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 51.308 68.339 5.634 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 51.465 67.301 4.542 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 65.417 23.780 2.926 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 65.098 24.501 3.468 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 65.626 24.185 2.085 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 53.349 45.594 34.075 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 53.771 44.846 33.652 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 53.301 46.262 33.391 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 44.725 2.680 41.566 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 44.020 2.055 41.396 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 44.276 3.512 41.716 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 39.707 73.112 7.868 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 40.432 73.737 7.857 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 39.854 72.588 8.655 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 85.033 61.737 32.426 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 84.713 60.840 32.336 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 85.942 61.640 32.712 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 43.438 87.662 59.839 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 43.909 88.254 60.426 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 42.723 87.316 60.372 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 34.705 38.700 11.692 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 33.902 38.962 11.243 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 34.950 39.465 12.213 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 82.028 17.871 43.729 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 82.195 17.822 44.670 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 81.949 18.808 43.548 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 74.088 77.174 51.920 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 73.981 77.029 50.980 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 73.515 77.916 52.115 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 57.181 47.138 -6.980 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 58.066 46.776 -6.955 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 57.219 47.821 -7.650 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 30.432 71.629 40.180 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 31.082 71.788 39.495 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 30.723 70.821 40.604 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 54.094 92.981 19.223 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 53.419 92.701 19.840 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 53.612 93.414 18.518 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 32.149 69.637 64.841 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 32.324 70.564 65.001 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 31.212 69.537 65.011 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 54.689 81.248 40.768 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 54.919 80.524 40.185 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 55.523 81.678 40.956 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 66.174 47.626 -3.105 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 66.120 47.726 -2.154 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 66.379 48.504 -3.427 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 27.671 50.808 56.564 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 28.449 50.886 57.116 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 26.936 50.902 57.169 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 87.643 96.515 2.273 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 87.069 95.776 2.473 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 87.494 97.136 2.986 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 82.211 74.242 19.464 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 81.518 73.886 20.019 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 83.017 74.089 19.957 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 28.852 85.494 26.384 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 28.246 84.975 26.912 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 29.539 85.757 26.996 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 37.322 69.430 3.001 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 36.374 69.300 3.037 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 37.545 69.808 3.851 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 29.975 84.540 39.193 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 30.705 84.821 39.744 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 29.781 83.650 39.486 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 83.055 37.465 41.709 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 83.409 36.629 41.405 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 83.641 37.730 42.418 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 58.963 48.591 -1.012 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 59.204 48.705 -0.093 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 58.204 49.162 -1.134 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 48.951 52.769 53.301 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 48.113 53.086 53.639 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 49.322 53.520 52.838 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 20.480 51.393 -6.293 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 21.014 50.912 -6.926 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 20.954 51.307 -5.466 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 45.565 29.001 55.500 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 45.675 29.917 55.246 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 44.816 28.697 54.987 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 66.683 31.131 4.809 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 65.981 31.370 5.414 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 67.367 31.783 4.965 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 74.218 16.471 48.049 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 74.759 16.199 47.307 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 73.673 17.178 47.702 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 28.763 31.443 1.592 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 29.225 31.860 0.865 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 27.848 31.416 1.311 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 87.052 30.495 -11.920 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 87.393 31.151 -12.527 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 86.101 30.584 -11.979 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 40.602 10.135 8.805 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 39.806 10.247 8.286 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 41.252 9.813 8.180 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 42.761 30.134 8.531 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 42.535 31.063 8.557 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 42.648 29.833 9.432 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 63.614 62.565 65.245 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 64.076 62.578 64.406 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 63.542 63.487 65.493 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 73.592 75.685 66.177 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 73.214 76.360 65.613 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 72.945 74.979 66.173 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 69.736 94.526 28.693 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 68.854 94.599 29.057 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 69.850 93.590 28.527 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 39.467 10.243 30.262 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 38.726 9.639 30.204 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 39.592 10.556 29.366 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 26.253 37.219 51.886 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 26.896 37.089 51.189 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 26.189 38.170 51.979 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 70.980 82.277 41.297 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 71.644 82.953 41.435 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 71.215 81.581 41.912 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 22.998 85.831 45.181 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 23.374 85.085 44.713 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 23.755 86.306 45.523 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 29.373 85.478 13.065 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 29.917 85.316 13.836 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 29.853 85.073 12.343 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 76.447 24.175 8.531 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 77.063 24.200 9.264 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 76.173 23.260 8.478 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 34.162 71.681 -3.576 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 34.624 70.920 -3.223 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 34.856 72.305 -3.789 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 63.622 30.417 14.623 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 64.116 30.363 13.805 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 62.754 30.724 14.360 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 48.238 76.896 47.082 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 48.116 76.034 47.480 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 47.415 77.356 47.246 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 23.508 69.687 25.367 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 24.433 69.739 25.124 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 23.410 68.817 25.754 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 33.750 1.063 13.960 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 33.918 2.002 14.046 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 33.095 0.999 13.265 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 69.180 62.508 58.000 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 69.824 62.894 57.406 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 69.110 63.136 58.719 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 85.263 77.773 60.509 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 85.502 78.414 61.179 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 85.559 76.934 60.863 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 49.282 83.682 64.300 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 49.392 82.779 64.599 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 49.650 84.214 65.005 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 75.498 76.695 16.093 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 75.804 76.163 15.359 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 74.725 76.233 16.418 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 53.677 18.779 -13.652 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 54.004 18.582 -12.775 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 54.387 19.266 -14.070 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 81.200 27.520 45.736 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 81.855 27.289 45.077 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 81.020 28.447 45.579 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 62.057 85.009 5.087 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 62.775 85.116 5.712 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 62.485 84.997 4.231 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 78.904 49.713 14.214 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 78.490 49.716 15.077 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 78.249 50.097 13.632 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 61.984 46.042 49.375 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 62.119 45.228 48.890 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 62.029 46.729 48.710 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 76.576 72.698 46.410 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 76.647 72.671 45.456 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 75.926 73.379 46.584 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 61.634 58.597 -5.772 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 62.302 57.947 -5.554 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 61.125 58.697 -4.968 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 71.460 60.340 12.774 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 71.341 59.442 13.084 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 70.586 60.617 12.499 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 73.469 65.302 10.235 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 73.673 66.075 9.708 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 72.562 65.432 10.511 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 50.622 69.683 24.510 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 50.398 69.118 23.771 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 51.578 69.722 24.502 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 89.952 67.547 54.324 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 89.703 67.352 53.421 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 90.756 67.046 54.465 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 66.480 19.158 -6.953 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 66.447 19.957 -6.427 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 67.192 19.309 -7.574 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 51.256 70.486 0.708 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 50.594 70.313 1.376 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 52.042 70.044 1.029 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 69.980 70.982 10.889 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 69.307 70.335 10.679 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 69.882 71.657 10.216 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 28.441 16.799 -13.734 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 27.673 16.349 -13.383 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 28.829 16.172 -14.344 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 63.947 1.476 39.950 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 64.823 1.841 40.075 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 63.409 2.225 39.694 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 52.485 93.552 43.725 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 51.986 94.278 43.350 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 51.890 93.156 44.361 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 55.605 52.238 -5.811 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 54.849 51.658 -5.718 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 55.800 52.522 -4.918 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 41.936 0.969 18.609 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 42.750 1.416 18.379 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 42.024 0.097 18.224 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 31.049 54.307 -10.793 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 31.205 53.480 -11.250 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 30.496 54.810 -11.391 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 80.538 87.408 54.806 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 80.009 86.790 55.312 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 80.956 86.871 54.133 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 41.710 68.398 1.143 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 42.375 67.754 0.901 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 42.187 69.056 1.649 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 69.552 8.630 4.255 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 70.283 9.173 3.959 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 69.964 7.928 4.759 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 78.972 51.808 30.853 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 78.853 52.635 31.321 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 78.109 51.395 30.873 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 81.998 91.350 32.062 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 82.814 91.627 31.646 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 81.325 91.896 31.658 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 36.825 66.699 33.764 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 37.518 67.185 34.211 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 36.657 67.200 32.966 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 81.732 77.130 50.646 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 82.045 77.693 49.937 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 81.430 77.739 51.320 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 34.892 75.304 53.854 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 35.286 76.050 53.402 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 35.519 75.082 54.543 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 42.859 13.399 37.622 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 43.732 13.495 37.240 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 42.868 12.530 38.023 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 46.746 72.310 62.327 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 46.125 73.037 62.371 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 46.573 71.898 61.480 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 61.870 35.459 -7.118 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 62.457 34.717 -7.265 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 62.438 36.150 -6.777 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 41.059 47.154 -15.328 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 41.609 47.633 -15.948 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 40.827 47.802 -14.663 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 86.910 45.881 -10.018 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 87.368 46.207 -9.243 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 86.560 45.031 -9.751 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 30.643 89.305 45.643 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 30.349 88.434 45.376 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 31.592 89.222 45.730 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 36.812 11.385 -14.585 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 37.481 11.944 -14.190 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 36.420 11.927 -15.269 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 32.323 76.118 57.676 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 33.278 76.050 57.679 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 32.018 75.222 57.818 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 22.751 81.662 5.168 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 22.816 80.858 4.652 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 22.327 81.391 5.982 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 90.426 9.339 4.611 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 90.554 10.197 4.206 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 89.721 9.476 5.244 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 55.663 79.270 22.285 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 56.525 78.927 22.048 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 55.703 79.383 23.234 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 45.119 90.151 -17.378 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 44.941 89.308 -17.795 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 45.475 89.924 -16.519 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 76.244 17.211 38.933 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 76.591 17.026 38.060 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 77.013 17.450 39.451 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 73.543 4.361 66.932 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 73.889 3.734 66.296 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 74.250 4.994 67.053 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 79.863 79.085 39.577 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 79.088 79.327 39.070 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 79.569 78.363 40.133 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 84.307 15.367 37.415 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 83.749 16.124 37.236 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 84.868 15.648 38.138 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 87.419 80.956 3.826 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 88.160 80.602 3.334 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 87.780 81.164 4.688 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 57.542 62.694 56.275 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 56.988 62.445 57.014 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 57.013 62.496 55.502 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 48.969 79.154 -13.341 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 48.841 78.683 -14.165 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 49.254 78.482 -12.722 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 79.666 77.470 -4.550 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 79.189 77.603 -5.370 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 80.466 77.986 -4.652 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 45.182 52.935 42.356 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 45.727 53.497 41.805 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 44.409 52.751 41.822 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 82.271 61.123 7.293 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 81.440 60.649 7.331 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 82.103 61.855 6.700 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 84.058 61.016 3.626 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 83.437 60.338 3.894 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 84.748 60.984 4.288 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 65.829 10.523 33.134 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 64.942 10.736 32.845 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 66.171 11.345 33.485 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 71.420 13.622 65.526 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 72.136 14.191 65.242 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 71.838 12.779 65.701 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 37.380 83.341 1.915 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 38.082 83.682 1.361 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 37.281 82.429 1.643 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 43.065 76.556 62.075 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 43.460 77.240 62.615 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 42.974 76.956 61.210 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 27.408 33.158 53.824 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 27.298 33.550 52.958 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 27.138 33.844 54.434 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 53.620 28.426 9.944 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 53.501 27.484 10.070 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 53.842 28.758 10.813 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 29.621 61.103 10.481 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 30.494 61.207 10.102 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 29.433 61.948 10.888 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 71.330 77.338 42.999 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 71.785 77.982 43.541 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 71.286 77.742 42.132 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 39.770 84.730 15.760 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 38.899 84.422 16.009 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 39.670 85.027 14.856 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 30.656 46.271 67.075 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 30.911 47.157 66.818 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 31.482 45.789 67.127 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 46.201 8.601 28.794 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 46.573 7.887 29.312 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 46.191 9.350 29.389 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 34.372 1.809 20.935 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 34.542 2.679 20.572 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 34.910 1.220 20.406 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 63.022 88.121 26.810 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 62.223 88.265 27.316 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 63.247 87.204 26.973 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 73.959 45.810 10.405 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 73.283 46.477 10.289 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 74.022 45.695 11.354 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 31.289 48.608 44.056 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 31.536 49.132 44.818 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 31.558 49.135 43.304 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 40.676 74.811 -13.049 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 39.841 74.610 -13.471 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 40.982 73.971 -12.708 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 34.364 86.050 55.335 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 33.967 85.259 55.699 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 33.960 86.768 55.823 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 63.041 73.729 29.033 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 63.282 72.821 28.850 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 62.230 73.665 29.538 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 45.960 3.965 2.112 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 45.297 3.477 2.600 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 46.766 3.463 2.234 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 90.105 78.166 42.683 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 90.345 77.694 41.886 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 90.135 79.090 42.433 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 71.606 59.498 4.737 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 71.365 59.781 5.619 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 71.973 58.623 4.858 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 48.751 71.243 46.263 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 49.603 71.170 45.834 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 48.161 70.724 45.716 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 72.220 21.508 66.509 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 73.074 21.363 66.103 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 71.780 22.128 65.927 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 36.714 65.546 53.393 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 37.455 66.118 53.192 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 35.958 65.990 53.010 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 47.206 16.565 44.678 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 48.015 16.179 44.342 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 47.480 17.063 45.448 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 23.582 91.242 36.988 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 23.630 91.433 37.925 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 23.893 90.340 36.911 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 25.760 0.804 41.335 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 25.597 -0.138 41.281 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 25.276 1.174 40.597 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 80.907 54.656 46.057 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 80.041 55.045 45.936 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 81.466 55.390 46.311 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 37.885 16.043 47.000 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 37.660 16.178 46.080 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 38.786 16.356 47.076 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 52.027 90.291 47.730 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 51.961 89.513 47.176 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 51.124 90.482 47.984 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 64.628 58.011 17.953 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 63.785 58.434 17.787 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 64.539 57.139 17.568 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 39.977 40.323 58.279 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 40.852 40.706 58.350 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 39.708 40.506 57.379 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 55.765 80.006 -6.856 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 55.492 79.091 -6.786 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 55.880 80.151 -7.795 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 85.131 19.426 -0.101 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 85.492 18.547 -0.213 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 85.866 19.949 0.219 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 40.110 17.592 46.513 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 39.522 18.343 46.436 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 40.964 17.926 46.238 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 26.532 63.482 56.596 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 25.908 63.929 56.024 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 26.170 63.586 57.476 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 82.718 54.655 6.420 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 82.717 53.911 7.023 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 81.855 54.630 6.007 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 43.875 92.995 37.667 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 44.132 92.073 37.656 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 43.019 93.010 37.238 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 46.405 9.817 62.014 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 46.582 9.013 62.503 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 46.827 9.679 61.166 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 61.616 10.007 29.438 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 62.163 10.624 29.924 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 62.160 9.735 28.699 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 65.805 44.714 3.622 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 65.302 44.407 4.377 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 66.683 44.876 3.968 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 51.084 8.220 55.421 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 50.217 8.327 55.811 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 51.337 9.103 55.152 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 46.389 12.560 12.521 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 45.608 13.021 12.213 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 46.049 11.775 12.952 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 38.151 77.618 -18.569 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 39.071 77.374 -18.472 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 38.026 77.715 -19.513 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 22.027 65.172 43.300 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 22.167 66.072 43.595 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 21.884 64.675 44.106 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 82.002 17.750 51.382 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 82.391 16.936 51.063 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 81.489 17.488 52.146 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 89.239 15.334 0.467 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 88.598 14.648 0.653 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 90.006 14.863 0.140 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 65.741 79.668 23.904 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 64.893 79.804 24.327 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 65.549 79.107 23.154 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 59.974 18.264 24.664 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 60.478 18.684 25.361 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 59.270 18.883 24.471 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 80.034 78.920 -14.753 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 79.115 79.169 -14.848 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 80.110 78.096 -15.235 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 74.501 68.255 24.454 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 73.948 67.829 25.108 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 73.887 68.719 23.885 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 71.122 96.390 35.430 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 70.869 95.906 36.216 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 71.115 95.734 34.732 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 69.057 5.831 57.494 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 68.772 5.654 56.598 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 69.933 5.448 57.548 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 89.063 52.219 5.962 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 89.426 52.648 6.737 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 88.655 51.421 6.297 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 36.966 49.209 28.014 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 37.217 49.845 28.684 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 37.580 49.362 27.296 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 49.534 84.771 -9.689 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 49.021 84.922 -10.483 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 49.723 85.649 -9.355 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 47.186 12.834 9.544 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 46.845 12.766 10.436 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 47.733 13.619 9.555 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 87.561 59.309 22.901 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 87.923 58.899 23.686 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 86.636 59.064 22.907 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 49.837 62.812 5.156 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 50.387 63.538 4.862 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 50.457 62.118 5.382 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 57.741 61.708 -7.693 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 56.840 61.391 -7.632 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 57.727 62.560 -7.258 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 48.331 62.090 59.630 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 49.162 62.232 59.176 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 48.534 61.442 60.304 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 49.690 14.930 56.820 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 49.531 14.030 57.104 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 49.816 14.863 55.873 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 81.915 5.165 10.536 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 82.169 5.298 11.449 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 81.545 4.282 10.516 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 84.599 25.852 64.820 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 85.551 25.937 64.776 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 84.310 25.906 63.909 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 32.004 70.766 -14.760 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 32.540 70.242 -15.356 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 32.372 70.595 -13.893 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 64.235 83.548 10.869 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 64.722 83.444 10.052 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 63.337 83.302 10.647 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 83.723 88.269 -2.058 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 83.962 88.222 -1.133 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 83.779 89.200 -2.274 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 60.274 29.461 2.579 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 59.841 29.622 1.740 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 60.253 30.306 3.026 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 73.322 67.538 8.342 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 72.992 68.293 8.830 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 72.588 67.271 7.789 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 25.496 7.512 40.257 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 24.667 7.929 40.020 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 25.381 6.594 40.011 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 74.565 5.106 -6.688 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 74.099 5.508 -7.421 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 75.003 4.346 -7.070 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 34.377 57.299 21.445 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 34.676 58.208 21.453 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 34.498 57.014 20.539 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 61.105 60.098 32.882 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 60.388 60.728 32.947 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 60.705 59.317 32.501 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 41.268 34.241 -3.459 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 41.653 34.731 -2.732 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 40.467 33.862 -3.097 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 85.337 77.309 43.337 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 85.071 76.392 43.415 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 86.132 77.374 43.866 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 49.253 6.714 25.268 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 49.007 6.962 24.377 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 48.501 6.221 25.596 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 83.279 95.071 9.491 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 83.599 94.357 8.940 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 83.161 95.805 8.889 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 42.377 53.610 -19.188 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 41.991 52.806 -19.536 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 42.437 54.194 -19.944 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 25.473 28.862 57.363 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 26.022 28.093 57.209 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 25.414 28.928 58.316 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 48.309 48.845 53.195 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 48.518 48.006 53.605 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 47.352 48.877 53.187 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 21.907 74.785 -14.808 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 22.730 74.958 -14.352 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 21.585 75.651 -15.059 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 24.779 36.659 4.190 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 24.833 37.512 4.621 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 25.626 36.554 3.758 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 84.627 25.363 -9.208 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 83.990 24.682 -8.990 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 85.472 24.914 -9.200 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 61.598 71.915 -6.415 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 62.341 71.424 -6.766 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 61.436 71.525 -5.557 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 58.121 81.490 15.726 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 58.288 81.775 16.625 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 57.830 82.281 15.274 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 60.733 8.451 -11.357 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 60.122 9.182 -11.451 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 60.528 8.074 -10.502 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 37.246 88.810 37.930 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 38.152 89.054 37.737 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 37.267 87.857 38.011 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 27.268 64.246 -2.355 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 27.111 63.843 -3.209 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 26.923 63.613 -1.725 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 37.922 66.940 20.885 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 38.498 67.493 20.358 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 38.170 67.128 21.790 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 34.505 69.719 22.052 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 35.132 69.733 21.328 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 34.937 69.205 22.734 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 43.167 60.255 41.937 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 43.417 61.153 42.153 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 43.886 59.930 41.395 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 70.824 62.359 26.944 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 70.856 63.261 27.263 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 69.890 62.173 26.845 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 40.687 5.723 60.895 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 40.901 5.826 59.968 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 40.876 4.804 61.084 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 81.654 34.901 3.176 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 80.779 34.833 2.795 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 81.499 35.125 4.094 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 70.815 90.403 -19.443 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 70.594 90.842 -20.264 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 70.530 91.012 -18.761 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 83.648 64.277 -6.391 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 84.269 63.569 -6.557 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 83.147 64.354 -7.203 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 24.391 94.187 22.114 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 23.612 94.158 22.670 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 25.109 94.383 22.716 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 42.296 46.181 -2.454 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 43.166 46.027 -2.083 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 41.774 45.435 -2.159 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 32.426 7.213 64.559 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 31.521 7.014 64.320 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 32.704 7.869 63.920 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 82.980 66.580 -9.712 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 82.373 66.687 -8.980 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 83.077 67.461 -10.074 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 24.057 44.452 -15.895 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 24.714 45.052 -15.542 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 24.563 43.804 -16.385 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 48.238 18.105 41.660 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 47.526 17.504 41.878 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 48.269 18.103 40.703 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 23.322 69.532 18.416 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 23.580 68.789 18.963 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 23.396 70.292 18.994 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 45.273 66.584 66.067 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 45.748 67.394 66.251 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 44.399 66.731 66.429 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 29.344 71.683 -12.523 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 29.608 72.410 -11.960 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 29.986 70.996 -12.345 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 79.584 65.728 55.671 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 79.850 66.381 55.023 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 80.382 65.542 56.166 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 56.552 64.396 18.493 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 56.367 64.852 17.672 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 57.109 63.660 18.238 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 69.858 92.547 10.762 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 69.745 92.863 9.865 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 70.663 92.030 10.734 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 56.197 77.676 14.913 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 57.030 77.727 15.382 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 56.168 76.781 14.574 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 32.323 16.492 48.576 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 32.139 16.280 49.491 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 33.041 15.907 48.335 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 48.157 83.373 9.341 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 48.859 83.057 9.910 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 48.064 82.693 8.674 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 70.191 91.920 -7.977 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 69.798 91.047 -7.985 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 69.961 92.279 -7.120 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 32.025 2.603 17.956 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 31.725 1.717 17.754 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 31.667 2.785 18.825 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 81.620 68.812 5.875 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 81.637 68.998 6.813 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 82.527 68.924 5.591 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 21.131 29.331 -1.088 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 21.000 30.262 -0.908 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 20.483 28.887 -0.542 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 26.408 20.882 58.518 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 26.397 20.199 57.849 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 27.266 20.797 58.935 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 32.282 3.970 -18.115 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 31.517 4.022 -17.542 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 32.851 3.323 -17.698 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 37.431 45.113 -10.054 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 36.476 45.106 -9.979 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 37.678 46.021 -9.877 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 40.085 74.362 2.089 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 40.677 73.610 2.097 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 39.619 74.310 2.924 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 89.974 70.057 13.253 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 90.461 70.348 14.025 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 90.210 69.135 13.155 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 43.991 29.608 5.928 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 44.030 28.670 5.744 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 43.752 29.662 6.854 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 74.512 69.317 5.788 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 74.935 70.124 5.495 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 74.410 69.429 6.733 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 56.003 37.129 43.835 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 56.416 37.557 43.086 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 55.125 36.901 43.528 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 50.546 84.057 0.316 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 50.394 83.271 -0.209 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 50.056 83.904 1.124 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 78.785 62.000 48.223 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 77.924 61.806 48.595 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 79.302 62.312 48.966 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 53.169 77.436 30.394 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 53.349 76.566 30.038 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 52.243 77.411 30.632 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 77.683 87.111 14.862 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 78.333 86.729 15.451 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 78.196 87.632 14.244 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 68.420 79.179 -2.857 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 67.818 78.442 -2.751 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 68.810 79.297 -1.990 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 76.816 12.220 53.733 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 76.894 11.295 53.497 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 75.988 12.278 54.209 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 61.610 13.410 19.292 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 62.012 13.842 18.538 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 62.196 12.681 19.493 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 39.857 67.891 65.355 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 40.050 68.827 65.295 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 40.274 67.510 64.582 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 69.446 23.730 32.617 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 70.337 24.006 32.832 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 69.414 23.747 31.660 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 80.075 81.877 25.697 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 79.757 82.710 26.045 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 79.535 81.214 26.128 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 89.885 54.385 56.396 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 89.994 54.692 57.296 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 90.266 53.506 56.394 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 32.269 11.011 -8.832 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 32.065 10.193 -8.378 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 31.622 11.063 -9.535 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 59.177 87.153 10.815 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 58.284 86.935 11.082 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 59.719 86.474 11.216 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 67.096 15.064 52.601 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 67.480 15.294 51.754 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 66.928 15.905 53.025 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 65.451 90.563 -5.581 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 64.866 90.112 -6.190 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 64.881 90.844 -4.865 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 21.973 24.046 45.284 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 22.677 23.566 45.721 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 21.390 23.364 44.950 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 44.020 3.330 36.155 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 43.276 3.452 35.565 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 43.639 2.942 36.943 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 77.673 61.438 55.546 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 77.344 62.226 55.112 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 77.115 60.733 55.219 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 41.142 50.439 43.802 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 42.019 50.503 44.181 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 40.937 51.331 43.522 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 54.724 82.546 45.115 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 54.067 83.214 44.921 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 54.305 81.720 44.873 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 62.904 9.844 26.867 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 62.506 10.670 27.141 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 63.590 10.102 26.251 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 50.586 56.083 62.374 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 50.532 55.131 62.288 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 50.319 56.416 61.517 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 34.649 78.313 29.783 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 34.723 78.536 28.855 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 35.465 77.855 29.985 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 47.266 16.883 54.635 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 47.640 16.865 53.755 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 46.472 17.410 54.548 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 35.665 55.346 57.917 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 35.521 54.692 57.233 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 36.576 55.617 57.803 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 41.236 95.271 -16.446 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 40.358 94.957 -16.663 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 41.826 94.634 -16.849 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 33.179 88.826 8.041 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 33.277 89.656 8.508 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 33.575 88.176 8.621 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 70.692 54.905 54.727 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 70.351 55.738 55.053 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 70.450 54.893 53.801 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 42.648 46.936 -5.127 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 42.802 46.796 -4.192 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 43.361 47.512 -5.403 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 54.883 2.754 -17.143 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 54.778 3.234 -16.321 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 54.512 1.890 -16.965 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 39.727 82.224 8.869 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 39.682 81.290 8.667 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 39.794 82.261 9.823 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 62.959 5.065 -1.935 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 63.421 5.864 -1.679 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 63.550 4.634 -2.552 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 32.312 32.991 34.880 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 32.893 33.009 35.640 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 32.877 33.217 34.141 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 22.829 46.175 27.172 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 22.812 47.116 27.346 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 22.641 45.771 28.018 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 36.042 44.780 41.020 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 35.618 45.044 41.837 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 35.339 44.393 40.498 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 74.536 77.036 40.761 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 73.765 76.600 40.398 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 75.271 76.675 40.264 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 90.032 30.557 25.715 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 90.693 31.152 26.069 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 89.204 31.024 25.826 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 63.687 55.284 60.399 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 63.757 56.220 60.211 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 62.942 54.989 59.876 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 45.544 33.241 -18.492 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 44.879 32.889 -19.084 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 45.193 33.082 -17.616 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 53.778 8.968 25.948 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 53.125 8.282 26.082 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 53.802 9.094 24.999 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 88.302 52.331 12.044 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 89.035 52.158 11.452 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 88.667 52.907 12.716 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 65.662 38.358 34.758 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 64.802 37.960 34.621 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 65.547 39.272 34.496 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 82.474 34.389 -6.083 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 81.576 34.135 -5.870 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 82.743 34.953 -5.357 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 28.013 16.944 62.405 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 28.622 16.445 62.950 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 28.048 16.515 61.551 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 56.774 87.842 -15.316 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 56.053 87.763 -15.941 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 57.121 86.953 -15.237 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 22.211 1.330 2.955 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 21.645 1.894 3.482 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 21.609 0.849 2.388 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 76.898 93.204 2.279 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 77.434 93.487 1.538 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 76.893 93.955 2.872 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 72.814 63.862 6.471 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 72.783 63.253 7.208 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 73.672 64.280 6.541 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 65.315 71.320 47.386 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 64.415 71.389 47.706 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 65.734 70.699 47.982 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 59.492 5.495 28.689 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 59.832 5.586 27.799 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 59.535 6.379 29.054 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 67.903 12.027 48.497 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 68.590 12.580 48.124 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 67.514 11.586 47.742 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 35.758 76.316 14.263 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 35.596 75.621 14.902 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 35.073 76.962 14.433 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 71.100 85.899 29.216 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 70.653 85.053 29.216 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 71.553 85.932 28.373 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 66.956 83.783 17.712 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 66.608 84.643 17.479 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 66.300 83.409 18.300 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 25.033 52.222 4.414 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 24.844 51.372 4.811 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 25.926 52.424 4.694 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 72.893 81.171 3.157 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 73.478 81.927 3.198 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 72.048 81.536 2.893 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 67.864 78.472 -16.064 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 68.550 78.292 -15.421 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 67.167 78.892 -15.560 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 75.870 54.506 48.551 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 75.999 55.025 47.757 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 75.797 53.604 48.240 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 78.952 76.732 4.575 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 78.563 77.552 4.271 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 79.219 76.913 5.476 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 45.831 19.834 66.578 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 45.387 20.067 67.393 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 46.719 19.598 66.847 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 84.121 70.172 11.943 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 83.726 69.300 11.916 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 84.966 70.040 12.373 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 85.776 75.886 29.708 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 85.962 75.494 28.854 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 85.009 75.412 30.027 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 66.417 6.965 57.050 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 65.691 7.376 56.580 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 66.795 6.353 56.418 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 73.937 90.131 6.234 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 73.560 90.042 5.358 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 74.192 89.241 6.476 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 26.343 34.255 50.731 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 26.790 35.065 50.486 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 25.413 34.479 50.711 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 84.418 71.950 -6.987 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 84.334 72.901 -6.927 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 83.601 71.662 -7.394 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 22.534 34.313 6.416 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 23.174 34.749 6.979 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 22.749 33.383 6.484 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 37.578 88.070 -14.042 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 38.465 88.413 -14.153 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 37.590 87.645 -13.185 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 54.294 92.161 52.731 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 53.786 91.426 53.075 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 53.866 92.382 51.904 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 47.747 12.283 25.663 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 47.173 12.977 25.985 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 47.477 12.149 24.755 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 24.269 0.749 20.700 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 24.416 0.336 21.551 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 23.408 1.158 20.778 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 83.454 10.281 0.228 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 84.357 10.206 -0.080 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 83.047 10.906 -0.372 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 33.844 56.555 64.413 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 33.761 56.283 65.328 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 32.977 56.400 64.038 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 35.104 0.756 54.881 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 35.096 0.465 55.793 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 35.163 -0.053 54.372 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 36.527 30.719 -14.095 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 36.249 31.214 -13.325 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 35.712 30.384 -14.472 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 87.819 87.334 -13.089 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 87.890 87.670 -12.196 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 88.637 86.858 -13.232 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 60.764 92.375 56.810 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 60.713 91.546 56.334 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 61.018 93.017 56.147 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 31.362 81.363 27.004 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 31.226 82.204 27.440 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 31.012 81.491 26.122 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 56.615 84.216 -5.375 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 56.337 84.190 -4.459 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 55.840 83.948 -5.868 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 71.115 29.648 -0.480 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 71.158 29.028 0.248 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 70.532 30.341 -0.171 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 48.517 5.947 37.718 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 47.921 5.239 37.473 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 49.299 5.796 37.187 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 80.914 35.051 24.953 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 81.843 35.276 24.991 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 80.487 35.847 24.637 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 66.163 31.829 -7.633 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 65.543 31.661 -6.923 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 66.442 32.734 -7.499 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 56.495 14.937 -5.645 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 57.308 14.502 -5.898 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 56.044 14.300 -5.090 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 36.103 9.641 48.177 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 36.248 9.467 49.107 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 36.170 8.782 47.759 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 39.357 60.339 7.723 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 39.591 60.159 8.634 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 40.198 60.435 7.275 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 41.481 79.106 19.699 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 41.617 78.160 19.656 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 42.016 79.392 20.440 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 71.641 76.477 61.696 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 72.395 76.042 61.298 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 71.938 76.717 62.573 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 35.074 86.145 20.320 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 35.737 85.542 19.981 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 35.024 85.945 21.254 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 40.062 53.155 6.169 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 40.655 52.438 6.392 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 39.364 53.101 6.821 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 75.980 61.409 2.657 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 75.350 62.083 2.912 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 75.445 60.714 2.274 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 30.784 83.004 -6.182 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 30.722 83.620 -5.452 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 29.930 82.573 -6.206 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 83.283 5.721 49.459 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 83.782 6.439 49.071 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 82.406 5.809 49.086 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 76.001 11.210 47.581 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 76.304 11.989 48.047 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 76.022 11.460 46.658 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 21.826 17.251 6.312 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 22.556 16.648 6.175 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 21.387 17.295 5.462 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 87.899 36.485 46.131 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 88.763 36.406 45.728 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 88.030 37.088 46.863 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 63.019 74.373 14.569 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 62.406 73.683 14.317 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 63.831 73.909 14.776 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 90.095 75.660 34.142 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 90.094 75.795 35.090 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 90.968 75.318 33.949 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 75.388 54.220 45.503 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 75.442 54.777 44.726 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 74.759 54.664 46.073 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 32.343 3.939 5.734 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 31.781 3.169 5.652 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 32.339 4.141 6.670 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 56.511 41.902 -15.602 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 56.856 42.794 -15.580 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 57.110 41.426 -16.178 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 61.055 56.832 18.282 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 60.991 55.897 18.090 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 60.253 57.034 18.764 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 67.993 65.793 32.599 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 67.392 65.085 32.831 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 68.425 65.490 31.801 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 54.537 81.371 54.265 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 53.761 81.910 54.114 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 54.525 80.728 53.556 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 82.450 25.897 56.284 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 81.917 26.043 55.503 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 81.821 25.644 56.960 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 55.864 95.645 22.235 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 55.498 95.113 22.941 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 55.928 95.046 21.491 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 69.329 63.577 -3.837 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 69.181 63.174 -2.982 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 68.784 63.071 -4.439 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 31.752 58.290 -16.029 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 31.690 58.650 -15.144 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 32.175 58.981 -16.540 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 23.491 51.178 11.045 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 23.718 51.372 10.135 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 24.332 51.151 11.502 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 47.241 22.833 47.324 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 46.780 23.541 46.875 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 48.140 23.149 47.412 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 75.208 59.008 42.110 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 74.605 58.521 42.672 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 74.643 59.444 41.472 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 74.010 79.458 45.108 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 74.333 79.499 44.208 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 74.097 80.353 45.435 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 63.329 70.550 17.513 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 62.893 70.232 18.304 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 62.892 70.090 16.797 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 48.740 59.639 51.090 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 47.876 59.472 50.714 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 49.024 60.459 50.686 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 24.970 86.498 49.029 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 24.823 86.678 48.101 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 25.594 87.168 49.307 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 46.148 42.623 12.995 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 45.303 42.314 12.668 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 46.330 42.068 13.753 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 71.649 68.927 -3.325 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 71.356 68.463 -4.109 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 70.856 69.333 -2.975 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 28.784 81.517 41.361 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 28.094 80.997 41.774 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 28.365 81.902 40.591 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 39.907 24.022 -2.111 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 40.433 23.237 -1.963 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 39.999 24.528 -1.304 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 50.434 45.412 52.884 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 50.463 44.834 53.647 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 49.505 45.613 52.771 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 32.065 70.966 10.092 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 31.648 71.478 10.785 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 32.319 71.614 9.434 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 23.755 38.733 -14.021 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 23.309 37.909 -13.825 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 23.237 39.399 -13.570 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 56.954 18.396 -13.826 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 56.701 17.543 -13.473 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 57.553 18.758 -13.172 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 41.675 84.838 23.208 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 42.599 84.916 23.447 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 41.573 83.925 22.941 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 33.783 26.472 52.120 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 32.924 26.093 51.934 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 33.817 27.265 51.585 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 66.403 2.852 56.272 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 67.314 3.141 56.237 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 66.322 2.227 55.552 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 55.562 64.515 67.297 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 55.812 64.907 66.460 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 55.352 63.606 67.082 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 87.192 83.260 2.513 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 87.539 83.038 1.649 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 87.060 82.414 2.943 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 67.352 63.162 32.966 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 67.062 62.711 32.173 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 66.648 63.015 33.597 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 41.377 64.870 43.462 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 42.071 65.444 43.138 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 40.687 65.467 43.752 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 35.961 82.509 57.783 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 35.065 82.847 57.784 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 36.272 82.658 56.890 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 36.291 55.181 -9.437 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 36.620 55.415 -8.569 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 35.437 54.783 -9.272 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 39.728 7.872 28.394 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 38.930 8.181 27.966 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 40.263 8.659 28.503 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 39.654 70.764 60.449 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 39.292 70.360 61.237 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 39.503 71.702 60.569 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 43.252 57.875 5.058 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 43.923 57.929 5.739 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 42.430 58.053 5.516 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 82.061 72.224 -11.018 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 81.902 72.804 -11.763 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 82.743 72.665 -10.511 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 50.796 79.606 -2.893 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 50.383 79.236 -2.113 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 51.522 79.011 -3.085 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 44.918 46.190 -7.775 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 45.820 46.094 -7.468 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 44.921 47.005 -8.277 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 68.197 6.861 64.059 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 68.278 6.263 63.315 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 68.155 6.288 64.824 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 44.994 53.259 8.278 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 45.662 53.584 7.675 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 45.488 52.938 9.033 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 68.253 60.457 -11.199 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 67.904 59.959 -11.938 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 68.453 59.795 -10.537 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 31.343 54.108 56.496 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 31.052 53.804 55.636 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 30.677 53.786 57.103 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 56.844 80.005 48.995 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 56.942 79.079 49.214 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 56.189 80.018 48.297 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 39.189 54.834 32.921 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 39.026 54.193 32.229 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 39.358 55.653 32.455 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 33.041 68.371 59.290 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 33.118 68.652 58.379 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 32.625 67.510 59.241 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 85.687 14.671 39.947 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 86.071 15.412 40.415 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 85.182 14.203 40.612 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 84.159 8.137 -14.725 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 84.658 8.950 -14.803 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 84.422 7.774 -13.880 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 57.812 80.242 -5.010 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 57.466 79.440 -4.619 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 57.386 80.295 -5.866 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 76.622 95.657 4.795 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 75.877 95.614 4.196 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 76.395 96.354 5.411 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 54.173 45.613 57.649 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 55.050 45.890 57.385 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 54.320 45.009 58.377 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 35.107 83.159 -9.560 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 34.532 83.467 -10.260 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 35.129 82.208 -9.667 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 30.613 94.241 53.076 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 30.515 95.192 53.119 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 31.136 94.089 52.289 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 24.757 18.688 -3.358 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 25.637 18.685 -2.981 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 24.217 19.130 -2.703 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 60.167 81.294 30.721 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 59.357 81.193 31.221 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 60.484 80.400 30.594 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 82.252 57.140 -17.835 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 82.176 56.684 -16.997 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 82.951 56.678 -18.298 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 45.334 90.322 13.335 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 44.480 90.485 13.736 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 45.910 90.117 14.071 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 81.782 71.430 3.997 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 82.363 71.244 4.735 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 81.012 70.885 4.154 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 35.826 15.075 52.761 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 35.202 14.722 52.126 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 36.527 15.447 52.226 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 64.346 19.988 24.630 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 64.084 19.408 25.344 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 63.629 19.932 23.999 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 90.185 76.165 1.027 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 89.813 75.314 0.799 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 90.937 75.958 1.581 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 60.263 61.819 51.366 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 60.371 60.877 51.238 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 59.362 61.997 51.095 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 46.658 95.085 29.271 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 47.322 94.401 29.352 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 46.206 94.885 28.452 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 36.527 46.662 48.422 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 36.064 47.333 48.924 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 37.444 46.761 48.679 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 43.823 2.661 -15.960 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 44.656 2.931 -15.573 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 43.696 1.763 -15.652 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 46.395 85.746 56.324 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 45.495 85.500 56.539 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 46.540 86.563 56.802 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 31.634 58.121 10.375 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 32.171 57.942 11.148 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 32.267 58.312 9.683 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 68.637 78.587 -13.147 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 68.325 79.490 -13.089 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 69.579 78.648 -12.985 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 67.569 82.917 9.659 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 67.640 83.538 10.384 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 67.000 83.353 9.025 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 30.218 81.485 -3.694 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 29.304 81.490 -3.979 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 30.469 82.409 -3.678 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 45.957 24.719 55.817 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 45.331 25.262 56.296 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 46.735 24.700 56.375 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 63.671 69.322 39.392 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 63.899 70.160 38.990 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 63.619 68.710 38.658 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 78.707 62.468 25.756 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 77.902 62.924 25.511 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 79.391 63.133 25.682 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 65.279 56.927 -16.596 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 65.263 56.684 -17.521 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 64.373 57.158 -16.392 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 63.762 90.028 24.023 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 64.499 90.429 24.484 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 63.306 89.522 24.695 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 62.491 31.050 64.861 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 62.112 30.252 64.492 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 61.923 31.265 65.600 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 70.596 18.229 3.071 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 70.634 17.276 2.992 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 71.468 18.480 3.376 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 28.503 79.126 34.967 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 27.676 78.729 34.694 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 28.807 78.576 35.689 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 64.641 92.662 20.500 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 65.299 92.432 19.844 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 64.411 91.829 20.912 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 60.806 55.137 -12.787 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 61.590 54.781 -13.206 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 60.273 54.369 -12.583 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 83.241 67.712 38.609 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 84.131 67.608 38.944 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 83.356 67.911 37.680 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 52.617 75.918 48.500 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 53.153 76.141 47.739 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 52.275 75.045 48.305 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 73.992 47.383 46.678 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 74.234 46.861 47.443 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 73.343 48.005 47.007 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 36.199 13.428 -12.245 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 35.327 13.134 -12.505 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 36.104 13.677 -11.326 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 72.204 82.654 18.815 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 72.446 82.836 17.907 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 71.285 82.913 18.875 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 86.573 59.974 -9.012 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 86.331 59.071 -8.808 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 87.503 59.929 -9.234 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 54.974 10.931 -9.289 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 54.517 10.209 -9.720 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 55.577 11.264 -9.954 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 84.693 74.952 39.076 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 85.288 74.728 38.361 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 85.234 75.446 39.693 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 83.113 46.115 22.454 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 84.003 45.963 22.774 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 83.185 46.900 21.910 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 73.004 25.984 57.195 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 73.224 25.853 56.273 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 73.491 25.302 57.658 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 60.306 40.856 66.848 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 60.402 41.361 67.656 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 60.614 41.445 66.159 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 60.403 69.864 65.382 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 60.705 70.712 65.708 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 59.556 69.731 65.807 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 29.910 67.760 -16.975 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 30.327 68.016 -17.797 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 29.352 67.018 -17.210 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 48.364 18.270 3.129 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 48.279 17.541 3.743 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 49.309 18.403 3.044 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 81.711 37.492 37.703 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 81.934 38.139 38.372 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 82.153 36.692 37.985 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 62.562 46.855 51.878 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 62.640 47.056 50.946 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 61.779 46.308 51.941 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 67.174 71.759 64.456 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 67.380 72.599 64.045 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 66.936 71.187 63.726 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 59.671 73.970 -1.342 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 58.928 74.521 -1.590 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 59.360 73.476 -0.583 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 33.765 66.149 -17.507 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 34.233 66.719 -16.896 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 33.723 65.303 -17.063 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 51.621 16.736 46.158 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 52.076 17.252 45.493 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 51.987 17.037 46.989 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 71.695 72.366 16.462 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 70.919 72.612 15.958 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 71.860 73.119 17.029 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 83.996 83.009 14.865 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 84.818 83.477 14.722 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 84.114 82.569 15.708 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 50.610 26.471 41.898 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 50.477 27.307 41.452 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 50.708 25.834 41.191 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 28.752 29.577 28.976 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 28.785 28.657 28.714 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 29.337 29.633 29.732 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 83.446 40.321 -14.088 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 83.039 40.620 -14.901 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 84.010 39.595 -14.355 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 62.080 75.129 -17.901 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 61.654 74.866 -17.085 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 62.818 75.672 -17.622 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 47.511 76.603 54.044 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 47.863 77.265 54.639 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 48.157 76.544 53.340 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 57.478 4.441 0.667 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 57.633 3.497 0.631 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 56.742 4.587 0.073 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 55.965 87.682 25.801 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 55.291 88.362 25.817 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 55.811 87.173 26.598 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 59.032 2.802 -13.165 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 59.127 2.406 -14.031 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 59.521 2.223 -12.581 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 42.210 88.955 3.255 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 41.587 88.900 3.979 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 42.999 88.525 3.585 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 50.925 69.422 48.395 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 51.833 69.160 48.548 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 50.404 68.721 48.788 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 62.799 67.675 37.120 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 63.564 67.151 36.882 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 62.059 67.211 36.729 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 88.785 60.456 -15.018 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 88.875 60.009 -15.859 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 87.899 60.241 -14.725 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 66.305 69.786 27.888 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 66.364 69.139 27.184 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 65.374 69.815 28.110 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 60.272 81.082 36.381 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 60.511 80.269 35.936 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 59.339 81.190 36.199 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 64.846 25.892 62.209 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 65.615 26.141 61.696 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 64.295 25.406 61.596 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 24.773 83.505 36.124 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 24.156 82.983 35.611 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 25.604 83.423 35.655 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 89.266 74.479 -2.606 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 88.913 73.950 -1.890 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 90.071 74.028 -2.863 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 73.676 31.943 30.870 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 74.329 31.255 30.747 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 73.949 32.394 31.669 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 73.222 34.220 55.102 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 73.907 34.775 55.475 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 72.405 34.591 55.434 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 35.837 11.410 37.434 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 34.893 11.552 37.367 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 36.089 11.853 38.245 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 78.129 95.615 -4.379 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 78.727 96.341 -4.557 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 77.513 95.964 -3.735 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 43.900 51.347 61.158 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 44.387 52.109 61.471 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 43.117 51.715 60.749 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 72.773 52.519 3.667 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 72.460 51.710 3.262 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 72.458 52.473 4.570 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 87.238 86.272 7.944 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 86.610 86.748 8.486 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 87.980 86.106 8.525 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 50.418 86.551 18.276 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 50.090 86.233 19.117 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 51.260 86.110 18.164 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 85.554 3.629 -12.091 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 85.166 3.970 -12.897 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 84.808 3.473 -11.513 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 57.355 22.649 26.901 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 58.010 22.850 26.232 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 56.530 22.960 26.530 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 51.057 17.589 -5.136 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 50.703 18.460 -4.958 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 50.298 17.073 -5.408 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 66.029 77.586 10.539 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 65.524 77.308 9.774 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 65.371 77.903 11.158 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 29.658 2.109 37.345 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 29.114 1.971 36.569 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 29.231 1.597 38.031 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 83.153 38.415 52.220 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 83.843 37.752 52.236 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 83.281 38.915 53.026 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 79.338 1.755 46.198 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 79.938 2.482 46.031 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 79.636 1.058 45.612 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 39.097 79.957 35.922 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 38.544 80.107 35.155 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 39.992 80.027 35.590 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 35.978 37.829 50.945 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 35.946 37.817 49.988 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 36.366 38.677 51.161 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 31.605 23.165 -8.122 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 31.940 24.038 -7.919 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 30.684 23.306 -8.340 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 75.120 82.747 -19.490 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 74.484 82.475 -20.152 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 74.766 82.413 -18.666 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 73.580 56.231 62.661 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 72.796 55.786 62.984 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 73.248 56.885 62.046 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 31.189 57.609 23.843 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 31.593 58.465 23.983 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 31.910 57.047 23.561 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 82.628 71.707 7.139 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 81.925 71.180 7.518 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 83.336 71.083 6.978 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 75.452 39.582 18.762 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 75.780 40.460 18.953 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 74.818 39.711 18.057 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 79.243 23.178 53.342 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 79.995 23.472 52.827 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 78.623 23.907 53.299 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 84.941 65.226 -2.130 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 85.241 65.901 -2.739 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 85.543 64.494 -2.267 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 77.292 8.096 48.837 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 77.854 8.715 49.303 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 77.193 8.472 47.963 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 82.298 91.615 53.627 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 81.381 91.647 53.353 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 82.741 92.240 53.054 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 54.816 47.773 42.173 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 53.878 47.861 42.002 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 55.145 47.247 41.444 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 72.369 51.744 -14.535 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 72.852 51.255 -15.201 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 71.945 51.071 -14.003 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 70.783 80.620 11.615 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 70.217 80.130 11.019 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 70.199 80.912 12.315 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 89.626 52.357 59.917 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 90.510 52.150 60.221 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 89.577 53.313 59.956 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 51.476 80.467 9.404 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 50.887 80.024 10.015 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 51.266 80.087 8.550 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 23.091 37.377 58.377 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 23.902 37.430 58.883 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 23.337 36.913 57.577 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 23.987 50.255 21.996 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 23.438 51.037 22.056 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 24.547 50.295 22.771 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 36.576 70.964 19.717 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 37.258 70.864 20.381 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 36.774 70.290 19.067 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 29.925 75.157 38.766 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 30.551 75.631 38.219 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 30.438 74.453 39.164 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 80.128 69.985 24.031 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 80.889 70.560 24.112 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 80.304 69.463 23.248 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 45.018 45.309 48.613 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 45.684 44.877 49.148 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 45.434 45.425 47.759 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 22.584 82.395 -8.118 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 21.782 81.998 -7.779 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 22.733 83.156 -7.556 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 33.155 68.459 -0.670 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 33.519 69.144 -0.109 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 33.558 67.650 -0.354 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 81.785 3.404 -9.327 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 81.920 2.460 -9.403 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 81.153 3.500 -8.614 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 27.946 31.072 26.586 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 28.173 30.283 27.078 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 27.677 30.750 25.726 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 47.894 54.734 -15.458 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 48.343 54.516 -16.275 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 48.395 55.465 -15.097 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 67.027 38.727 26.165 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 66.563 39.556 26.045 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 67.081 38.353 25.286 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 32.227 95.574 -11.069 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 31.431 96.094 -10.963 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 32.038 94.993 -11.806 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 43.068 88.175 35.653 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 42.746 87.567 34.988 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 42.918 87.723 36.484 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 76.329 62.382 40.974 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 75.528 61.980 40.638 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 76.419 62.032 41.861 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 32.819 35.620 -1.158 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 33.292 35.693 -0.329 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 33.498 35.432 -1.805 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 72.892 66.263 20.335 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 72.059 65.814 20.477 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 73.511 65.806 20.904 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 53.570 55.582 -3.836 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 53.821 56.505 -3.876 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 53.197 55.472 -2.961 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 82.703 52.706 62.974 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 83.596 52.996 63.157 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 82.280 53.468 62.578 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 26.265 85.455 40.131 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 26.257 86.007 40.913 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 26.280 86.074 39.401 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 44.767 95.014 -16.788 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 44.595 95.491 -15.976 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 43.996 94.459 -16.908 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 77.680 50.736 22.321 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 77.325 49.959 21.889 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 78.549 50.848 21.936 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 62.712 24.201 5.735 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 61.803 24.230 6.032 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 62.654 23.963 4.809 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 68.868 73.227 28.920 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 68.587 73.556 29.774 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 68.054 73.091 28.436 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 25.797 83.380 -15.859 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 25.273 83.298 -15.063 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 25.161 83.583 -16.545 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 23.102 24.631 -3.166 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 23.957 24.304 -3.446 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 23.094 25.548 -3.441 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 88.231 70.690 11.395 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 88.858 70.452 12.078 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 88.657 70.433 10.578 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 79.659 59.057 61.941 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 78.767 59.306 62.186 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 80.168 59.171 62.744 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 29.378 34.796 30.042 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 29.263 34.603 29.111 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 28.502 34.702 30.416 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 35.147 75.576 19.571 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 36.088 75.751 19.573 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 35.053 74.775 19.056 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 51.978 40.305 -18.090 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 52.284 39.509 -17.656 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 52.690 40.544 -18.683 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 65.172 73.261 -9.059 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 65.892 73.249 -9.690 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 64.718 74.086 -9.228 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 51.657 72.953 54.641 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 51.141 72.460 55.280 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 51.409 73.866 54.785 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 28.828 10.508 -8.228 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 27.896 10.391 -8.412 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 29.269 9.919 -8.841 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 88.545 23.846 8.036 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 89.142 24.242 7.401 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 87.713 24.300 7.898 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 69.230 38.807 30.459 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 70.015 38.384 30.110 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 68.938 39.388 29.756 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 82.084 86.601 49.227 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 82.126 87.332 49.845 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 81.505 85.965 49.647 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 28.689 29.418 8.661 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 29.101 30.262 8.849 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 28.619 28.991 9.514 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 55.762 66.231 15.644 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 55.317 65.864 14.880 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 56.626 65.819 15.639 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 64.322 66.466 27.785 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 64.615 65.560 27.881 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 63.541 66.408 27.234 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 52.265 85.085 14.181 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 52.804 85.268 13.412 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 51.945 84.193 14.044 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 88.527 14.840 -2.251 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 88.823 15.045 -1.364 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 88.590 13.887 -2.310 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 61.201 21.801 -5.936 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 61.882 21.132 -5.869 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 61.680 22.624 -6.027 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 51.623 89.965 59.558 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 51.556 90.451 58.736 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 52.366 90.362 60.012 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 84.647 34.442 -7.808 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 84.783 33.516 -8.011 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 84.028 34.438 -7.077 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 66.424 74.630 13.532 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 66.798 74.057 12.864 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 65.778 74.085 13.982 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 66.788 7.742 13.017 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 66.706 8.200 13.854 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 67.136 6.881 13.249 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 48.997 66.671 2.815 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 48.450 67.013 3.521 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 49.765 66.311 3.259 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 82.002 28.656 31.398 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 81.732 29.351 30.797 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 82.641 28.145 30.902 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 63.624 95.379 21.641 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 64.138 95.302 22.444 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 63.676 94.512 21.238 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 71.642 24.977 40.858 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 71.614 24.588 41.732 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 72.148 24.355 40.335 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 80.758 91.086 19.406 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 81.207 90.507 20.021 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 79.904 90.675 19.269 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 75.807 68.713 51.375 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 76.572 69.005 50.880 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 75.472 67.966 50.879 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 70.764 45.185 -3.258 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 71.098 45.965 -2.815 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 70.363 44.667 -2.560 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 47.256 1.149 50.763 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 47.614 0.606 51.466 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 47.976 1.237 50.138 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 65.807 62.324 25.173 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 66.432 62.477 24.464 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 65.058 61.909 24.745 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 70.734 54.696 34.838 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 70.023 54.713 34.197 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 71.427 55.225 34.442 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 34.794 11.398 46.546 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 35.122 10.738 47.157 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 35.577 11.723 46.101 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 43.343 81.226 8.897 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 44.256 81.506 8.831 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 42.997 81.711 9.645 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 72.986 78.847 59.992 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 73.647 78.582 60.632 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 73.007 78.160 59.327 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 32.769 52.252 16.544 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 33.195 53.110 16.523 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 33.364 51.678 16.062 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 34.860 67.911 15.407 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 35.779 67.714 15.586 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 34.715 67.588 14.517 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 59.578 2.648 21.046 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 60.378 2.181 20.809 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 59.393 3.206 20.290 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 86.388 72.974 45.825 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 86.741 72.746 44.966 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 86.248 72.132 46.259 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 52.210 90.393 -4.043 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 52.376 89.452 -4.110 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 51.446 90.541 -4.600 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 56.467 74.516 31.201 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 56.549 73.656 30.788 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 55.532 74.607 31.382 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 20.249 87.316 11.778 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 20.904 86.764 12.205 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 20.728 88.106 11.527 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 46.274 80.351 50.113 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 45.405 79.960 50.203 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 46.855 79.759 50.591 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 43.430 17.239 66.184 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 42.693 17.850 66.193 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 43.248 16.634 66.904 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 37.893 72.430 -6.560 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 38.138 71.635 -6.087 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 37.211 72.147 -7.169 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 85.568 30.445 47.754 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 85.254 29.860 47.064 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 86.518 30.468 47.636 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 75.952 27.544 56.206 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 75.340 27.130 55.597 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 75.768 27.130 57.049 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 61.782 66.444 52.579 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 61.672 65.514 52.380 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 60.937 66.837 52.360 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 71.606 46.824 -5.263 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 70.854 46.327 -4.941 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 72.025 47.164 -4.473 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 77.313 78.409 -15.293 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 76.500 78.847 -15.548 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 77.074 77.886 -14.528 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 44.599 84.718 62.552 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 45.057 83.878 62.518 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 45.040 85.258 61.897 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 66.655 18.394 20.627 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 66.783 18.387 19.678 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 67.070 19.206 20.919 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 64.071 54.251 -17.362 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 63.329 54.737 -17.723 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 64.060 54.456 -16.427 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 84.206 46.077 51.898 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 83.409 45.661 52.228 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 84.437 46.720 52.568 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 74.547 61.249 -0.295 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 74.732 60.395 0.096 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 74.345 61.056 -1.210 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 47.155 41.993 -19.264 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 47.264 42.090 -20.210 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 46.548 41.260 -19.166 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 41.077 5.599 13.343 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 41.868 5.841 12.861 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 40.688 6.434 13.602 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 27.424 63.174 -8.109 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 27.252 64.078 -7.846 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 26.713 62.670 -7.714 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 49.419 71.889 55.822 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 49.390 71.515 56.702 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 48.919 71.276 55.284 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 49.288 83.693 43.451 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 49.857 82.971 43.185 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 48.569 83.272 43.923 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 58.746 7.116 16.761 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 59.125 6.319 16.389 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 57.966 6.815 17.228 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 36.648 91.317 29.712 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 36.839 91.151 28.789 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 37.376 90.913 30.184 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 44.416 78.006 64.882 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 44.495 78.940 64.687 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 44.942 77.881 65.672 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 28.147 75.564 35.358 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 28.907 74.984 35.305 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 27.577 75.153 36.008 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 31.604 86.336 8.796 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 30.833 85.811 8.581 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 31.284 87.239 8.804 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 71.923 64.025 -4.633 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 71.065 63.601 -4.671 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 71.868 64.610 -3.877 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 76.596 81.632 3.570 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 76.064 81.451 4.346 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 77.352 82.113 3.905 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 40.926 18.121 -2.994 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 40.141 17.575 -2.962 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 41.596 17.605 -2.545 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 71.292 57.179 7.277 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 70.453 57.639 7.303 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 71.909 57.781 7.693 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 74.174 63.729 0.542 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 74.111 62.795 0.344 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 73.277 63.991 0.749 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 71.946 95.446 4.913 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 72.159 94.514 4.854 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 70.990 95.475 4.881 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 49.583 67.889 12.752 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 50.004 67.193 13.257 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 49.877 68.699 13.168 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 53.783 19.222 -3.363 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 52.886 19.396 -3.078 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 54.190 20.087 -3.415 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 31.292 4.979 10.904 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 30.365 5.053 11.131 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 31.739 5.540 11.537 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 67.057 70.565 -8.803 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 67.426 71.218 -9.397 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 67.214 69.727 -9.239 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 67.423 93.015 55.731 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 67.993 93.425 56.382 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 68.020 92.533 55.159 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 48.028 79.460 -4.515 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 48.056 79.320 -5.462 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 48.926 79.304 -4.223 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 20.673 71.275 17.798 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 21.482 71.374 18.300 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 19.985 71.218 18.461 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 64.315 89.578 64.023 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 63.771 89.508 64.807 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 64.494 88.671 63.773 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 30.545 8.442 6.360 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 30.925 8.182 7.199 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 29.997 9.198 6.569 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 82.425 83.587 40.107 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 82.395 82.754 39.636 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 83.133 84.075 39.688 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 33.216 64.324 37.483 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 34.067 64.346 37.921 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 33.349 64.822 36.676 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 75.168 89.538 -17.487 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 75.445 90.377 -17.857 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 74.385 89.303 -17.985 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 24.778 81.049 52.350 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 25.026 81.767 52.931 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 23.858 81.216 52.141 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 33.292 68.683 11.558 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 34.125 69.142 11.673 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 32.795 69.236 10.955 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 73.939 29.124 -7.429 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 73.397 29.126 -6.640 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 73.506 29.742 -8.019 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 30.436 46.055 -16.609 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 30.506 46.378 -17.508 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 29.849 46.675 -16.176 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 43.235 79.533 -1.446 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 44.020 79.831 -0.986 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 43.558 78.890 -2.078 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 42.756 7.137 30.278 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 42.139 6.449 30.529 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 42.250 7.947 30.342 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 56.062 76.685 3.228 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 56.887 76.208 3.317 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 55.682 76.672 4.106 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 22.220 57.880 18.527 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 21.994 57.167 17.930 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 22.002 57.544 19.396 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 62.566 14.223 8.450 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 63.060 14.099 7.640 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 62.019 13.441 8.519 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 38.229 62.182 -5.884 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 37.429 62.631 -5.610 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 38.217 61.354 -5.404 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 32.404 80.995 21.586 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 32.329 80.591 22.450 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 32.099 80.320 20.979 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 29.296 59.912 30.185 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 28.936 60.066 29.311 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 30.221 60.146 30.108 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 75.987 79.468 15.276 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 76.933 79.438 15.134 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 75.779 78.626 15.682 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 81.103 67.757 19.115 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 80.303 68.164 18.783 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 81.806 68.157 18.602 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 52.476 88.699 12.735 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 52.665 89.635 12.806 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 51.540 88.628 12.922 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 71.996 57.581 -0.863 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 72.263 56.986 -0.162 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 71.477 58.253 -0.422 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 67.603 10.948 26.740 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 67.753 10.448 25.937 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 67.874 11.840 26.521 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 87.254 41.507 1.781 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 86.863 41.000 1.069 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 86.507 41.875 2.252 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 40.029 89.699 65.130 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 40.875 90.099 64.928 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 40.241 88.795 65.364 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 59.520 71.650 50.102 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 59.715 71.301 50.972 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 60.284 71.421 49.574 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 73.081 74.856 31.634 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 72.155 75.036 31.798 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 73.498 75.718 31.639 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 65.247 79.421 37.599 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 64.757 79.956 36.975 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 65.947 79.996 37.910 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 88.230 73.631 53.078 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 88.822 74.141 53.631 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 88.767 72.909 52.754 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 81.342 45.131 11.351 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 82.113 44.571 11.257 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 81.548 45.699 12.094 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 69.597 9.354 10.967 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 70.473 8.984 11.081 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 69.010 8.699 11.344 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 24.931 75.715 32.891 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 25.503 76.467 33.045 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 25.374 74.985 33.324 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 74.865 92.094 -9.777 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 74.516 91.392 -9.229 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 75.383 91.643 -10.443 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 21.612 96.017 -10.938 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 21.326 95.299 -10.374 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 21.336 95.756 -11.817 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 46.011 59.979 62.945 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 45.216 60.109 62.429 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 46.381 59.161 62.615 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 88.323 73.762 2.188 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 88.797 74.406 2.714 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 88.896 72.995 2.173 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 73.652 33.948 46.995 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 73.151 33.293 47.480 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 74.048 33.461 46.272 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 50.797 48.674 48.550 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 51.444 49.159 48.038 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 50.845 49.060 49.425 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 64.309 56.916 24.964 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 63.436 56.885 24.574 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 64.186 57.378 25.793 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 33.572 50.970 6.136 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 34.112 50.235 5.843 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 34.017 51.745 5.794 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 55.675 16.566 4.632 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 56.321 17.252 4.799 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 56.121 15.753 4.868 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 66.653 77.211 -2.354 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 66.104 76.965 -1.609 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 66.266 76.753 -3.099 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 34.340 85.108 59.390 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 34.054 84.425 59.997 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 34.793 85.745 59.942 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 29.722 46.589 46.022 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 30.134 47.230 45.442 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 28.896 46.997 46.283 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 62.178 6.050 66.691 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 61.796 6.668 66.068 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 62.680 5.442 66.149 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 59.573 87.960 13.673 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 59.911 87.214 13.179 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 59.744 87.739 14.588 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 30.436 49.864 8.952 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 31.312 50.249 8.925 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 30.362 49.380 8.130 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 62.066 32.289 11.116 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 61.458 32.576 11.798 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 61.924 32.902 10.395 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 28.030 70.341 60.189 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 27.972 69.425 59.917 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 28.400 70.793 59.431 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 25.131 77.155 0.942 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 25.664 77.085 0.150 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 24.286 77.485 0.634 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 73.158 71.325 -18.420 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 73.653 71.651 -19.171 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 73.574 70.490 -18.202 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 72.827 92.435 11.700 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 73.644 91.985 11.916 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 72.378 92.535 12.539 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 37.595 16.272 51.281 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 38.380 16.819 51.267 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 36.964 16.744 50.737 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 37.473 54.804 3.304 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 38.297 54.335 3.436 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 37.475 55.484 3.978 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 70.311 35.542 -2.551 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 70.280 35.733 -1.614 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 69.416 35.690 -2.856 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 75.757 35.280 55.683 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 75.899 34.714 54.924 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 76.242 34.858 56.392 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 28.722 57.818 42.038 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 28.088 58.142 41.398 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 28.743 56.871 41.896 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 81.218 24.310 51.940 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 81.014 24.771 51.127 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 82.018 23.821 51.745 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 42.364 80.249 44.343 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 41.851 79.942 43.595 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 41.764 80.816 44.828 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 67.390 87.966 53.550 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 68.156 87.408 53.681 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 66.796 87.437 53.018 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 30.268 23.445 4.891 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 31.110 23.088 4.608 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 29.947 23.932 4.132 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 80.659 83.084 21.887 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 81.172 82.520 21.309 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 81.312 83.571 22.390 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 86.455 4.146 46.673 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 86.642 4.453 47.560 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 86.031 3.297 46.798 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 36.977 87.171 -0.973 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 37.172 87.591 -0.135 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 37.377 87.744 -1.627 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 82.041 72.680 45.791 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 82.581 72.715 46.581 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 81.409 71.982 45.963 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 70.939 90.128 1.940 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 70.999 90.978 1.504 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 70.252 89.661 1.463 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 68.334 2.740 48.055 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 67.440 2.863 48.374 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 68.690 2.040 48.602 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 64.970 73.974 62.517 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 65.275 73.677 61.659 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 64.245 73.387 62.730 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 47.521 96.000 35.812 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 47.239 95.098 35.968 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 48.019 96.234 36.596 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 75.823 42.912 6.752 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 75.240 43.199 7.455 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 75.240 42.514 6.106 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 44.065 87.693 46.339 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 44.699 88.410 46.357 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 43.471 87.916 45.622 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 55.397 83.325 -8.845 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 55.741 82.451 -8.662 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 55.205 83.316 -9.783 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 53.457 37.392 -8.971 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 52.547 37.561 -8.725 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 53.809 36.873 -8.248 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 73.904 59.456 -2.302 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 73.466 60.035 -2.925 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 73.191 59.034 -1.823 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 51.320 30.599 37.539 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 51.996 29.921 37.521 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 50.668 30.304 36.904 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 67.749 63.310 -18.170 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 68.133 62.434 -18.216 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 66.887 63.174 -17.777 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 51.721 78.619 42.576 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 51.195 79.051 43.249 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 51.516 79.092 41.770 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 28.352 87.941 -12.308 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 28.408 87.132 -11.800 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 27.714 88.477 -11.837 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 63.375 37.998 39.135 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 62.974 37.649 38.339 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 64.071 38.574 38.820 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 59.496 94.384 20.993 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 59.989 94.521 20.184 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 58.712 93.909 20.719 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 36.689 65.269 -15.467 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 36.427 66.171 -15.651 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 36.371 65.104 -14.579 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 29.257 60.170 44.841 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 28.741 60.961 44.995 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 29.267 59.721 45.687 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 74.034 7.880 -11.381 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 74.869 8.275 -11.632 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 74.033 7.910 -10.424 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 21.595 65.705 -15.379 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 21.135 66.518 -15.172 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 21.686 65.717 -16.332 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 33.787 27.895 6.852 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 33.315 27.484 6.128 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 33.106 28.110 7.490 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 51.207 75.101 -6.657 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 51.197 76.033 -6.439 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 52.102 74.820 -6.466 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 75.161 7.352 54.380 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 74.947 7.944 53.659 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 74.355 7.297 54.893 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 21.669 48.475 11.154 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 21.528 47.533 11.247 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 22.539 48.625 11.524 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 20.535 3.870 -7.610 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 20.829 3.115 -8.120 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 20.274 3.503 -6.766 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 81.390 30.531 29.523 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 80.447 30.700 29.517 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 81.786 31.371 29.292 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 39.423 76.626 3.977 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 39.057 75.994 4.596 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 39.411 76.172 3.135 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 48.981 51.308 37.114 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 49.630 51.886 36.713 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 48.661 50.768 36.391 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 47.918 35.523 15.184 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 47.439 35.423 16.006 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 47.317 35.199 14.514 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 52.222 34.009 -4.117 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 52.510 34.684 -4.732 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 51.324 33.811 -4.382 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 74.456 74.115 50.385 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 74.674 74.983 50.045 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 73.519 74.019 50.214 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 29.879 6.359 61.083 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 29.832 6.964 60.342 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 30.448 5.652 60.779 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 62.180 77.899 37.860 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 61.368 77.546 37.496 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 62.537 78.449 37.163 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 74.348 19.459 -19.359 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 74.620 19.358 -20.272 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 73.718 18.752 -19.217 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 49.243 34.037 -4.020 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 49.290 34.417 -3.142 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 48.605 34.581 -4.483 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 38.418 44.995 33.755 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 39.002 44.245 33.649 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 39.002 45.731 33.937 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 83.371 63.956 -16.541 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 83.267 63.572 -15.671 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 82.966 64.820 -16.472 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 40.835 16.004 62.589 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 40.553 16.851 62.935 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 41.146 16.199 61.704 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 71.400 29.227 -3.112 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 70.589 28.873 -3.476 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 71.213 29.346 -2.181 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 87.966 82.515 60.413 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 88.830 82.911 60.295 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 87.905 82.351 61.354 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 69.798 50.408 -6.821 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 70.519 50.382 -6.192 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 69.285 49.622 -6.632 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 78.543 81.286 12.038 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 79.228 80.785 11.594 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 77.801 81.265 11.433 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 62.600 91.487 37.907 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 61.819 90.937 37.850 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 62.312 92.346 37.596 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 34.143 88.400 21.768 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 34.693 89.184 21.769 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 34.558 87.817 21.132 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 65.534 54.801 -14.854 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 66.462 54.749 -14.626 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 65.457 55.610 -15.361 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 62.493 43.649 48.172 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 63.415 43.422 48.297 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 62.440 43.950 47.265 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 89.926 95.852 -6.760 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 89.193 96.368 -6.426 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 90.550 96.503 -7.083 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 68.323 82.519 -4.535 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 68.071 83.438 -4.451 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 68.213 82.324 -5.465 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 89.389 58.815 64.317 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 89.021 59.620 63.952 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 88.853 58.115 63.942 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 84.457 51.414 22.440 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 83.558 51.252 22.155 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 84.529 52.368 22.477 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 76.527 44.946 60.356 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 75.758 45.497 60.207 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 76.207 44.051 60.244 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 27.190 90.057 10.234 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 26.391 89.818 10.703 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 27.896 89.654 10.740 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 72.576 58.147 20.072 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 72.260 57.899 19.204 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 71.818 58.033 20.645 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 66.988 55.161 28.694 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 66.031 55.170 28.707 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 67.243 55.799 29.360 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 78.458 43.848 29.090 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 79.330 44.055 28.755 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 78.002 43.455 28.345 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 81.851 75.366 12.626 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 82.799 75.441 12.730 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 81.511 76.215 12.910 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 59.710 92.019 24.173 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 59.185 91.578 23.505 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 60.459 92.373 23.694 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 88.902 71.412 49.319 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 88.423 70.801 48.759 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 88.477 72.256 49.171 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 35.607 71.428 -7.838 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 34.793 71.799 -7.500 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 35.607 70.523 -7.526 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 42.209 79.372 62.160 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 41.252 79.378 62.185 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 42.473 79.646 63.039 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 80.346 85.089 19.544 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 80.538 84.406 20.187 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 79.573 85.535 19.892 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 73.738 16.994 5.522 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 73.066 17.369 4.953 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 74.513 17.535 5.366 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 36.092 37.658 48.253 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 36.939 37.247 48.425 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 36.166 37.994 47.360 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 71.492 96.011 55.605 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 71.637 95.425 54.863 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 71.957 96.814 55.371 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 80.340 0.902 12.645 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 81.002 0.211 12.660 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 80.803 1.684 12.947 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 26.155 33.865 13.011 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 27.048 33.785 12.676 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 25.972 34.804 12.984 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 48.967 66.769 54.725 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 49.282 65.867 54.789 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 49.199 67.041 53.837 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 77.974 91.254 40.221 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 78.355 90.771 40.954 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 77.710 90.577 39.598 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 50.095 11.684 15.745 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 50.829 11.738 15.133 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 50.254 12.389 16.373 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 35.733 73.228 31.966 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 36.071 73.171 32.859 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 36.472 73.547 31.449 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 37.748 67.897 62.135 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 37.358 68.475 62.791 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 37.167 67.137 62.110 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 25.990 21.757 -7.008 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 25.413 22.299 -6.470 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 26.822 21.752 -6.536 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 80.326 23.732 5.260 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 80.332 24.686 5.337 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 79.846 23.432 6.032 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 73.358 81.641 10.880 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 73.327 81.093 10.096 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 72.530 81.468 11.327 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 87.207 24.102 31.953 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 87.973 23.896 32.489 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 87.343 25.008 31.677 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 73.298 36.994 18.409 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 73.343 36.052 18.575 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 72.878 37.066 17.552 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 22.284 85.816 7.318 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 22.306 86.615 7.846 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 21.719 86.034 6.577 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 63.430 22.424 63.710 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 64.104 21.813 64.007 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 63.634 23.244 64.160 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 77.229 58.805 6.197 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 77.049 58.971 7.122 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 77.324 59.675 5.811 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 63.388 78.061 2.253 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 62.691 78.640 1.947 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 62.994 77.189 2.251 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 58.476 72.098 -16.353 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 59.293 72.390 -15.949 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 58.636 71.184 -16.586 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 66.283 81.112 28.939 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 66.743 81.119 28.100 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 66.169 80.183 29.143 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 24.765 3.016 -8.737 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 24.645 3.605 -9.482 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 25.079 2.199 -9.125 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 71.647 7.679 0.871 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 71.952 7.417 1.739 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 71.502 8.623 0.942 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 69.541 37.396 -11.878 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 70.375 37.742 -11.561 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 69.737 37.062 -12.753 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 61.694 95.494 8.223 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 61.565 94.581 8.480 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 61.935 95.451 7.298 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 53.045 26.071 -12.022 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 53.438 26.800 -11.543 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 52.624 25.539 -11.347 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 68.154 37.173 35.278 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 68.186 37.024 34.333 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 67.315 37.609 35.424 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 24.952 23.350 27.260 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 24.027 23.300 27.018 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 25.363 23.828 26.539 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 28.422 17.425 -8.686 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 29.202 17.489 -8.136 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 27.812 18.060 -8.312 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 31.476 36.143 44.996 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 32.253 35.594 45.099 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 31.511 36.440 44.087 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 83.533 4.578 3.200 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 83.114 3.852 3.662 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 82.882 4.862 2.558 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 80.420 65.574 4.258 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 80.478 65.235 3.365 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 81.171 66.160 4.342 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 54.161 95.308 -5.674 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 54.896 95.210 -6.279 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 54.149 96.242 -5.462 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 37.998 48.652 50.587 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 38.868 48.880 50.914 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 37.844 49.263 49.867 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 83.167 72.162 31.836 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 83.703 72.955 31.874 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 83.551 71.647 31.126 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 65.448 10.836 29.080 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 65.233 11.751 28.897 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 66.328 10.720 28.721 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 65.807 78.509 29.514 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 66.290 78.125 28.782 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 66.231 78.153 30.295 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 89.389 84.392 44.385 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 90.006 84.172 45.082 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 89.908 84.893 43.755 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 80.780 56.947 22.745 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 81.236 56.222 22.318 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 80.108 56.526 23.282 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 53.421 67.237 42.809 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 52.958 66.591 42.276 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 54.204 67.450 42.301 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 66.320 37.672 43.082 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 65.531 38.111 42.765 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 66.549 37.057 42.385 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 56.372 15.650 66.514 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 56.329 15.115 67.307 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 56.192 15.036 65.801 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 69.947 73.032 63.438 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 69.615 72.621 64.237 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 69.402 73.810 63.324 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 26.991 51.670 -8.226 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 26.371 52.380 -8.056 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 27.680 51.792 -7.573 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 32.528 11.889 63.992 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 32.578 12.461 64.758 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 32.161 11.071 64.327 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 75.573 12.971 2.130 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 75.405 13.773 1.636 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 76.380 13.152 2.614 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 90.136 94.169 -3.860 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 90.204 93.283 -3.503 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 89.436 94.579 -3.352 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 78.247 7.987 53.182 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 77.694 7.634 53.878 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 78.441 7.233 52.624 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 85.653 75.926 35.845 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 84.905 76.514 35.951 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 86.036 76.175 35.004 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 26.334 44.674 8.083 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 26.996 45.274 8.427 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 25.807 44.435 8.845 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 21.505 91.482 51.076 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 20.818 91.380 51.734 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 22.280 91.739 51.575 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 40.569 81.967 14.967 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 40.295 82.850 15.216 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 39.751 81.500 14.798 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 34.478 32.281 53.540 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 34.883 31.461 53.823 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 33.564 32.054 53.375 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 40.682 96.096 58.236 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 39.859 96.016 57.754 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 41.255 95.436 57.846 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 70.644 77.403 12.130 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 70.058 77.600 11.399 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 70.058 77.228 12.866 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 68.662 87.258 0.607 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 68.277 88.047 0.225 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 68.562 87.376 1.552 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 63.522 60.523 -14.438 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 64.129 60.787 -15.129 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 62.979 61.297 -14.286 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 53.477 68.813 1.909 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 53.313 67.974 2.339 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 53.820 69.376 2.604 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 54.941 14.290 8.648 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 54.442 14.172 9.457 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 54.277 14.457 7.979 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 46.798 40.683 14.967 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 46.466 40.843 15.850 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 46.971 39.742 14.942 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 72.115 93.963 -18.500 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 72.871 94.284 -18.008 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 71.566 93.535 -17.843 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 71.969 94.683 25.767 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 71.159 95.192 25.736 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 71.696 93.785 25.579 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 34.747 75.021 64.432 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 34.137 74.366 64.091 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 34.632 75.778 63.857 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 81.262 91.469 43.126 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 81.397 92.415 43.164 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 81.785 91.181 42.378 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 40.937 68.568 29.964 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 40.477 68.461 29.132 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 41.722 69.069 29.742 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 86.941 54.718 44.395 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 87.324 55.314 43.752 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 86.673 55.286 45.118 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 39.813 93.851 59.799 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 39.618 93.308 59.035 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 40.314 94.587 59.448 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 62.386 87.037 -0.366 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 63.167 86.702 -0.806 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 61.772 87.225 -1.076 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 86.769 91.478 34.775 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 87.032 90.631 35.133 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 87.368 91.627 34.044 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 24.798 38.880 5.885 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 24.101 39.477 6.159 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 25.384 38.833 6.640 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 83.793 63.833 36.299 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 83.126 64.306 36.798 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 83.473 63.849 35.397 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 86.793 90.967 44.509 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 85.909 91.218 44.241 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 86.670 90.511 45.342 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 59.639 79.773 14.317 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 58.955 80.280 14.755 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 59.412 78.860 14.497 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 26.351 28.456 7.246 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 25.523 28.708 7.654 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 27.004 29.025 7.654 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 43.016 89.231 51.834 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 43.867 88.802 51.750 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 42.799 89.155 52.763 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 73.579 75.963 37.116 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 72.963 76.471 37.643 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 73.723 75.163 37.620 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 25.896 65.478 60.673 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 25.322 64.857 60.225 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 26.413 64.939 61.271 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 70.592 86.387 -4.402 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 70.939 86.297 -5.289 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 70.647 87.325 -4.217 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 47.614 87.286 48.337 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 47.746 87.501 47.414 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 47.615 86.330 48.364 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 83.582 49.026 25.065 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 84.075 49.378 24.323 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 82.694 48.907 24.728 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 86.452 5.863 56.975 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 85.629 5.431 57.202 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 86.774 6.217 57.804 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 31.094 53.330 43.571 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 31.314 53.935 42.863 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 30.519 53.833 44.148 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 70.487 54.510 6.673 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 70.615 55.451 6.794 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 69.638 54.329 7.076 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 67.659 57.129 30.562 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 67.394 57.473 31.416 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 67.625 57.887 29.978 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 55.353 75.604 -2.612 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 54.726 75.048 -3.075 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 55.035 75.625 -1.710 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 35.194 4.320 20.137 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 35.885 4.915 20.429 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 34.765 4.784 19.418 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 46.040 51.711 -8.920 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 45.568 52.459 -8.553 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 46.320 51.206 -8.156 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 57.762 87.721 -1.480 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 56.864 88.007 -1.649 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 57.849 86.903 -1.969 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 48.915 86.951 38.398 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 48.769 87.777 38.859 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 48.263 86.949 37.697 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 27.322 10.580 41.847 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 27.637 10.367 40.968 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 27.870 11.312 42.127 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 89.867 18.799 -13.380 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 90.381 19.204 -14.078 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 89.538 19.536 -12.866 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 26.701 26.780 29.071 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 27.641 26.864 28.913 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 26.292 27.176 28.301 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 30.556 50.839 57.605 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 30.054 51.616 57.851 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 31.471 51.107 57.691 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 41.897 14.011 5.971 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 41.947 14.708 5.317 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 41.021 14.097 6.346 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 35.201 42.827 52.709 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 35.676 42.085 52.333 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 35.849 43.531 52.748 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 52.747 59.547 -6.620 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 53.258 58.817 -6.270 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 51.978 59.595 -6.053 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 56.679 78.022 17.759 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 56.096 78.752 17.548 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 56.300 77.632 18.547 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 74.342 81.220 36.160 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 75.219 81.042 36.499 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 74.021 81.946 36.695 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 49.465 12.488 64.493 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 49.915 11.644 64.471 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 50.168 13.133 64.570 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 88.865 91.975 32.741 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 89.128 92.147 31.837 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 89.590 91.471 33.110 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 20.813 5.207 -13.398 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 20.952 5.168 -12.452 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 21.160 6.061 -13.657 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 35.414 76.438 -12.458 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 34.917 77.242 -12.308 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 35.576 76.088 -11.582 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 61.149 43.297 37.552 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 61.984 42.965 37.222 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 60.722 43.678 36.785 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 31.289 55.210 3.688 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 31.784 55.161 4.506 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 31.755 54.626 3.090 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 80.661 27.261 33.126 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 79.959 27.876 33.341 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 81.183 27.715 32.465 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 56.298 8.685 -1.310 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 55.521 8.253 -0.955 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 56.930 8.670 -0.592 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 70.949 72.680 47.256 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 70.448 72.190 46.604 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 71.701 73.023 46.772 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 44.240 78.457 -5.609 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 44.550 77.577 -5.392 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 44.512 78.997 -4.868 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 85.393 85.845 21.190 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 85.859 85.913 22.023 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 86.067 85.989 20.526 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 52.105 74.609 40.885 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 51.671 73.893 40.422 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 51.691 74.623 41.748 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 40.781 74.727 -17.433 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 41.027 73.907 -17.861 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 39.867 74.600 -17.178 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 32.583 30.524 29.640 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 32.624 31.445 29.897 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 33.394 30.374 29.154 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 29.429 87.249 35.264 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 29.053 87.570 34.444 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 29.856 88.016 35.648 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 67.681 30.181 12.147 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 66.918 30.729 12.333 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 67.688 30.095 11.193 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 43.423 87.863 -8.252 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 43.291 87.661 -9.178 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 42.627 88.326 -7.991 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 49.725 73.288 30.555 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 49.813 73.116 29.617 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 49.379 72.472 30.917 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 39.585 90.180 -9.921 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 38.658 90.377 -10.057 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 39.965 90.196 -10.799 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 31.321 11.609 28.984 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 30.758 12.315 28.666 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 32.184 11.810 28.621 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 86.959 45.477 53.780 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 86.298 46.070 54.137 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 87.593 45.370 54.490 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 41.866 94.574 63.164 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 40.939 94.342 63.226 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 42.253 94.233 63.970 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 40.552 73.452 32.512 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 40.669 73.895 33.352 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 41.378 72.990 32.367 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 47.259 7.686 39.768 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 47.509 7.139 39.023 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 47.567 8.562 39.536 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 40.509 88.535 26.772 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 40.763 88.089 25.965 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 41.292 89.016 27.038 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 79.864 3.473 -19.047 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 80.289 3.701 -18.221 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 79.014 3.911 -19.008 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 86.797 3.394 2.981 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 86.093 4.043 2.978 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 87.450 3.751 3.584 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 22.060 42.813 19.096 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 21.898 43.746 19.235 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 21.677 42.628 18.239 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 20.540 95.457 5.733 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 21.107 95.774 5.030 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 20.825 95.941 6.508 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 68.409 19.328 -9.176 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 68.988 19.989 -9.556 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 68.649 18.515 -9.621 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 73.306 22.231 41.735 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 73.232 22.500 40.819 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 74.225 21.981 41.838 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 64.319 1.960 51.281 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 63.897 1.136 51.034 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 64.657 1.802 52.162 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 57.642 65.698 13.306 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 58.402 65.906 13.851 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 57.316 64.869 13.655 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 36.299 76.257 6.174 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 35.605 75.821 6.668 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 36.503 75.651 5.462 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 70.899 64.444 56.688 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 70.720 64.244 55.769 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 71.797 64.775 56.691 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 81.294 40.812 64.152 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 80.739 40.128 64.527 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 81.124 40.769 63.211 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 23.525 54.261 -11.261 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 24.454 54.476 -11.348 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 23.316 54.465 -10.350 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 32.470 73.547 -12.834 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 33.409 73.464 -12.998 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 32.064 72.924 -13.437 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 85.404 73.796 32.553 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 85.267 73.839 33.499 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 85.154 74.664 32.235 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 84.310 52.847 -14.383 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 84.744 53.690 -14.256 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 85.026 52.224 -14.506 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 63.491 61.736 33.027 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 63.470 62.232 32.208 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 62.854 61.033 32.897 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 73.667 74.965 16.661 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 73.328 74.687 17.512 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 72.933 75.420 16.247 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 31.568 52.580 46.582 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 31.865 53.462 46.805 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 31.899 52.432 45.696 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 41.144 28.861 6.080 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 41.721 29.623 6.040 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 40.681 28.955 6.913 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 67.434 46.391 13.130 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 67.289 45.889 13.932 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 66.572 46.745 12.910 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 83.759 77.853 26.278 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 84.614 77.655 26.661 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 83.136 77.701 26.989 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 65.881 63.498 57.092 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 65.051 63.165 57.433 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 66.548 62.961 57.518 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 46.775 59.719 -6.510 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 47.632 59.641 -6.930 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 46.917 59.408 -5.616 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 87.449 38.650 31.314 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 87.903 38.097 31.950 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 87.599 38.219 30.472 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 83.411 1.394 8.417 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 82.910 1.658 7.645 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 84.292 1.222 8.084 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 82.383 69.203 -5.742 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 81.624 69.399 -5.191 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 82.203 69.654 -6.567 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 27.651 43.922 2.444 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 28.156 44.432 3.077 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 26.901 44.478 2.232 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 45.358 86.475 -10.557 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 44.558 86.601 -11.067 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 45.312 85.566 -10.259 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 77.576 43.448 12.663 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 77.288 43.596 11.763 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 77.318 42.546 12.853 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 86.996 74.931 -7.029 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 87.366 75.001 -6.149 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 87.578 75.459 -7.576 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 77.719 5.580 47.894 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 77.653 6.277 48.547 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 76.873 5.133 47.935 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 48.648 86.423 7.554 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 48.913 86.474 8.472 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 47.768 86.048 7.578 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 60.570 74.934 53.187 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 60.310 75.449 52.423 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 61.523 74.869 53.119 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 36.526 74.524 -1.202 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 36.737 73.805 -1.796 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 36.829 74.225 -0.345 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 66.501 9.333 16.265 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 66.715 9.954 15.569 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 65.864 9.794 16.810 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 73.564 62.591 -12.960 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 73.574 61.984 -13.700 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 72.786 63.130 -13.101 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 84.394 3.431 -8.803 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 83.485 3.543 -9.079 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 84.832 4.234 -9.088 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 62.037 51.150 36.757 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 62.108 51.368 35.828 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 61.414 50.424 36.786 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 88.425 95.504 -2.017 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 88.925 95.894 -1.299 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 88.044 96.252 -2.477 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 48.782 27.509 -0.463 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 49.308 28.163 -0.923 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 49.331 27.231 0.270 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 56.130 6.082 -3.751 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 56.553 6.892 -4.038 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 55.206 6.204 -3.968 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 28.654 90.947 -16.825 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 29.442 90.660 -16.362 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 28.978 91.298 -17.654 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 54.372 68.607 22.219 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 55.161 69.137 22.105 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 54.398 67.979 21.498 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 82.123 75.751 57.896 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 81.583 76.222 57.261 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 82.353 76.411 58.551 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 65.189 55.003 32.789 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 64.662 54.204 32.792 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 64.662 55.636 32.302 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 67.831 64.598 41.620 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 67.036 65.131 41.627 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 67.566 63.778 41.203 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 53.313 91.675 -11.810 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 53.054 92.234 -11.078 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 53.528 90.834 -11.406 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 20.944 6.917 -17.750 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 20.052 6.679 -17.496 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 21.424 6.089 -17.741 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 54.191 1.157 -14.838 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 53.607 0.470 -14.517 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 53.720 1.973 -14.667 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 38.588 59.181 35.590 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 38.867 59.570 36.418 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 39.047 58.342 35.552 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 58.564 37.943 50.032 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 57.631 38.144 50.100 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 58.740 37.935 49.091 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 41.317 8.716 48.761 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 41.478 9.241 49.545 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 41.691 9.231 48.046 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 56.378 78.366 -14.861 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 56.394 77.443 -15.112 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 57.209 78.716 -15.181 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 54.384 12.071 52.203 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 55.006 12.698 52.572 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 53.766 11.898 52.913 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 45.349 70.399 52.566 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 44.398 70.414 52.456 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 45.639 69.649 52.048 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 89.375 9.454 -7.136 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 89.565 10.051 -6.413 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 89.760 9.877 -7.904 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 38.761 38.556 24.795 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 39.270 37.753 24.683 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 39.418 39.249 24.859 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 61.848 10.425 24.285 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 62.019 9.928 25.086 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 62.714 10.704 23.987 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 32.407 84.699 63.902 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 32.059 84.078 63.262 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 32.237 84.290 64.750 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 29.049 85.426 8.031 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 28.293 84.970 8.400 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 28.675 86.181 7.576 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 67.620 8.802 21.266 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 68.008 8.647 22.127 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 68.365 8.820 20.666 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 43.012 60.232 38.527 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 42.726 59.357 38.265 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 43.713 60.076 39.160 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 20.931 10.716 55.781 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 20.778 11.400 55.129 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 20.839 9.896 55.296 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 25.933 38.352 14.280 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 26.397 37.841 14.944 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 25.789 37.736 13.562 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 32.334 79.806 23.916 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 31.714 79.085 23.805 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 32.197 80.104 24.815 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 31.247 59.219 18.014 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 31.774 58.527 18.414 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 31.040 59.811 18.737 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 74.299 49.200 44.431 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 73.786 49.918 44.800 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 74.293 48.526 45.111 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 82.927 12.654 42.415 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 82.798 13.446 42.937 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 83.877 12.548 42.369 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 34.422 10.908 53.133 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 35.303 10.642 53.396 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 34.526 11.232 52.238 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 83.140 57.291 -7.177 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 82.450 57.842 -6.807 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 82.699 56.471 -7.400 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 43.889 62.876 0.451 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 44.603 62.826 -0.184 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 44.312 62.748 1.300 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 89.210 45.674 39.107 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 89.517 46.342 38.494 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 88.263 45.643 38.974 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 60.310 64.491 -10.939 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 60.415 65.424 -10.756 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 59.375 64.326 -10.818 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 69.312 63.715 45.202 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 68.507 64.234 45.199 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 69.926 64.221 44.669 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 75.306 91.241 1.249 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 74.633 91.654 1.791 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 76.122 91.664 1.516 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 82.737 42.442 28.598 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 82.929 42.657 29.511 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 82.353 43.241 28.238 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 84.215 78.768 33.198 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 85.032 79.260 33.113 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 83.543 79.361 32.863 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 63.441 93.759 64.932 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 63.581 94.162 64.076 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 62.641 93.245 64.828 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 58.246 20.237 41.858 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 58.999 20.075 42.426 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 58.589 20.793 41.158 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 89.625 59.310 27.149 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 89.815 60.245 27.073 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 89.324 59.055 26.277 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 53.243 85.027 -8.216 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 53.934 84.387 -8.044 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 52.818 85.155 -7.369 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 52.992 14.135 10.599 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 53.179 14.524 11.454 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 52.245 13.557 10.757 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 66.564 57.230 46.035 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 67.183 56.508 46.144 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 65.745 56.902 46.404 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 21.638 15.116 -2.290 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 21.927 15.130 -3.203 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 21.896 15.970 -1.944 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 59.477 82.545 -8.833 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 59.463 81.616 -8.606 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 59.691 82.989 -8.012 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 22.796 61.439 16.208 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 22.919 60.594 15.775 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 22.166 61.261 16.907 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 44.563 10.102 -13.703 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 45.192 10.824 -13.718 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 44.254 10.034 -14.606 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 57.919 32.672 -13.544 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 58.202 33.586 -13.504 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 57.383 32.552 -12.760 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 21.434 28.884 41.361 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 20.628 29.316 41.645 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 21.387 28.892 40.405 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 82.466 35.729 33.581 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 83.371 35.914 33.831 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 82.092 35.286 34.343 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 65.968 77.280 57.290 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 65.077 77.418 57.613 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 66.459 78.037 57.609 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 53.563 60.867 -1.752 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 53.523 60.967 -0.801 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 52.657 60.712 -2.016 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 48.655 87.728 31.549 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 48.053 86.987 31.618 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 49.328 87.553 32.206 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 56.269 87.198 58.955 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 55.584 87.720 58.538 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 56.044 87.207 59.886 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 69.713 10.861 8.406 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 70.183 11.598 8.017 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 70.167 10.697 9.233 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 63.023 21.555 55.263 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 62.335 22.159 54.987 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 62.620 20.689 55.207 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 26.281 29.902 -1.904 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 26.396 30.836 -2.080 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 25.578 29.865 -1.255 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 33.667 27.654 13.738 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 33.856 26.839 14.203 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 34.517 28.089 13.662 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 64.358 7.951 -16.951 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 65.028 8.190 -17.591 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 64.839 7.844 -16.130 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 76.748 54.796 -14.151 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 77.057 54.146 -13.521 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 75.894 55.068 -13.816 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 40.034 54.507 58.516 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 40.428 53.975 57.825 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 39.659 53.871 59.125 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 58.275 63.458 47.260 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 57.694 63.160 46.560 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 58.325 62.716 47.863 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 39.306 76.301 0.092 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 39.576 75.641 0.731 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 40.127 76.668 -0.234 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 47.237 73.860 25.612 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 47.661 74.513 25.056 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 47.707 73.046 25.427 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 50.001 29.893 20.471 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 49.224 29.423 20.775 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 49.695 30.786 20.312 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 69.550 93.658 57.126 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 69.812 94.576 57.054 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 70.358 93.166 56.982 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 39.159 10.403 -16.368 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 39.176 11.265 -16.783 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 38.421 9.953 -16.779 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 28.234 68.252 47.557 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 27.995 67.546 46.957 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 29.043 68.612 47.193 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 34.726 13.281 16.997 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 35.575 13.465 17.399 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 34.333 14.143 16.861 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 28.882 0.645 15.468 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 29.023 0.492 14.533 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 28.812 1.597 15.547 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 53.130 56.893 60.416 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 54.009 57.151 60.138 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 52.651 57.719 60.494 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 54.369 90.119 26.359 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 55.092 90.741 26.275 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 54.346 89.903 27.291 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 61.630 53.716 29.852 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 60.727 54.033 29.872 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 61.614 52.984 29.235 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 63.354 79.688 24.916 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 62.986 78.987 24.378 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 63.283 79.364 25.814 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 28.903 21.332 -16.652 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 28.335 20.993 -15.960 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 28.400 21.208 -17.457 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 25.188 3.213 34.065 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 25.529 2.394 34.422 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 25.761 3.890 34.425 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 51.561 74.719 32.119 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 51.718 74.039 32.775 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 50.921 74.333 31.522 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 38.815 94.764 15.668 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 38.410 95.159 14.896 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 39.022 95.506 16.237 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 81.835 56.555 64.726 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 81.454 56.936 65.517 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 81.848 55.613 64.897 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 86.987 76.376 13.679 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 87.651 77.041 13.864 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 86.907 75.883 14.496 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 85.190 27.879 15.956 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 84.595 28.527 16.333 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 84.664 27.423 15.299 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 60.109 2.071 13.769 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 59.861 2.893 14.193 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 60.942 1.833 14.176 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 86.522 78.448 41.133 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 86.181 78.207 41.995 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 87.158 77.763 40.927 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 46.102 26.544 28.286 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 46.608 26.822 27.522 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 45.196 26.517 27.977 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 62.127 67.363 40.956 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 61.193 67.385 40.746 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 62.461 66.599 40.485 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 31.795 36.743 19.734 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 32.530 36.186 19.477 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 31.017 36.229 19.517 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 76.903 60.213 61.222 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 77.262 59.494 60.703 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 75.964 60.196 61.039 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 25.699 4.002 8.025 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 25.875 4.544 7.256 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 25.219 3.248 7.683 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 58.494 85.207 35.640 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 58.883 85.846 35.042 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 57.974 84.636 35.074 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 32.323 91.989 45.893 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 33.046 91.388 45.709 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 31.989 92.233 45.030 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 89.474 88.171 44.716 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 89.932 87.382 44.426 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 88.802 88.317 44.051 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 74.607 69.426 29.036 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 73.898 69.275 28.410 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 74.186 69.367 29.894 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 65.985 85.734 38.826 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 66.528 85.252 39.449 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 65.376 86.230 39.372 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 80.036 29.073 23.273 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 80.795 29.613 23.052 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 79.304 29.690 23.303 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 55.107 87.698 -17.385 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 54.526 86.992 -17.668 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 54.708 88.493 -17.736 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 61.219 87.639 -16.748 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 61.508 88.535 -16.573 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 60.526 87.482 -16.107 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 70.300 33.937 48.513 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 69.892 34.609 47.967 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 69.574 33.371 48.778 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 57.988 69.872 61.143 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 58.661 69.604 61.769 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 57.162 69.737 61.607 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 44.966 39.497 -4.981 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 45.747 39.960 -5.285 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 45.029 39.522 -4.026 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 80.197 40.383 61.607 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 80.298 41.078 60.956 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 79.579 39.770 61.210 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 38.246 88.886 8.278 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 37.562 88.632 7.657 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 38.260 88.177 8.921 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 32.298 92.488 66.552 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 32.728 92.954 67.269 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 32.568 92.959 65.764 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 74.453 84.978 31.803 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 74.225 84.230 32.356 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 73.764 85.620 31.973 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 56.745 2.726 43.211 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 57.572 2.643 42.736 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 56.987 3.125 44.046 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 84.204 89.451 -6.846 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 83.540 89.935 -7.336 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 84.641 88.910 -7.504 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 21.554 91.056 42.721 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 21.913 90.559 41.985 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 20.670 90.708 42.837 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 30.463 72.403 51.832 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 30.581 73.265 51.433 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 30.934 71.804 51.253 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 62.845 17.686 -18.171 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 63.478 18.221 -17.693 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 62.900 17.997 -19.074 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 50.867 71.487 52.556 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 51.344 71.955 53.241 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 50.226 72.122 52.234 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 27.856 88.892 33.265 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 27.052 88.390 33.397 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 27.814 89.178 32.352 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 53.705 54.327 56.979 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 53.373 54.872 56.265 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 53.090 54.474 57.698 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 22.199 37.253 -2.446 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 21.979 37.310 -1.516 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 23.069 36.854 -2.463 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 41.090 77.326 11.535 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 41.895 77.205 11.031 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 40.993 76.514 12.031 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 47.070 94.583 12.404 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 46.946 93.716 12.790 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 46.204 94.989 12.443 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 51.934 19.562 17.157 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 51.747 20.328 16.614 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 51.198 19.514 17.767 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 25.769 92.478 19.824 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 26.146 91.661 19.496 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 25.746 92.366 20.774 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 60.034 76.900 6.273 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 59.472 76.135 6.399 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 60.785 76.743 6.845 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 72.528 93.064 -0.458 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 73.051 92.823 0.307 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 71.623 92.914 -0.187 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 60.283 92.597 -8.047 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 60.608 93.063 -7.276 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 60.047 91.729 -7.721 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 53.649 81.753 8.638 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 53.008 81.183 9.063 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 53.918 82.365 9.323 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 74.986 44.415 40.505 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 75.035 43.461 40.440 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 74.161 44.643 40.076 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 58.569 75.475 43.034 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 57.927 76.137 42.777 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 58.335 75.251 43.934 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 32.749 44.167 15.948 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 33.582 43.874 16.318 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 32.738 45.112 16.102 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 23.102 86.643 39.788 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 23.760 86.050 39.425 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 22.327 86.504 39.244 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 64.927 17.516 22.493 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 65.598 17.970 21.982 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 64.156 18.078 22.429 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 76.705 67.720 29.586 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 76.910 67.028 28.957 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 76.328 68.421 29.055 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 65.342 63.225 15.868 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 64.653 63.450 15.244 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 65.235 62.285 16.015 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 62.663 96.753 10.800 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 62.829 95.847 11.060 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 62.571 96.716 9.848 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 43.634 31.129 -13.239 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 43.036 31.161 -12.492 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 43.606 32.012 -13.607 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 75.577 86.883 16.357 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 76.224 86.818 15.655 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 75.911 86.306 17.045 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 45.944 87.065 17.576 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 46.096 86.120 17.570 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 46.804 87.447 17.397 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 31.378 39.383 -0.905 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 31.988 40.119 -0.951 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 31.930 38.626 -0.710 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 33.173 44.323 12.111 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 33.569 44.090 11.272 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 33.829 44.076 12.763 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 43.180 69.463 -9.054 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 43.011 70.391 -9.218 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 43.028 69.354 -8.115 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 82.331 87.172 40.534 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 81.404 87.239 40.304 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 82.791 87.234 39.697 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 57.414 21.806 39.303 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 56.745 21.245 39.696 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 57.697 21.331 38.522 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 50.608 21.045 5.925 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 51.444 21.480 5.759 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 50.806 20.393 6.598 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 59.384 11.123 62.035 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 58.651 11.059 61.424 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 60.157 11.202 61.476 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 71.744 26.099 -2.063 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 72.535 25.961 -1.542 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 72.059 26.482 -2.882 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 22.455 80.294 38.267 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 21.787 80.949 38.470 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 22.005 79.654 37.716 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 69.536 79.658 17.628 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 70.432 79.922 17.420 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 69.553 78.702 17.590 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 71.001 71.024 42.816 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 71.219 70.315 42.211 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 71.306 71.818 42.376 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 57.410 93.379 -11.355 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 57.594 92.691 -10.715 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 57.209 92.907 -12.163 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 24.064 3.691 -17.818 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 23.133 3.906 -17.760 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 24.382 3.755 -16.918 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 40.350 64.192 58.041 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 40.772 65.016 58.283 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 41.065 63.641 57.722 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 87.991 72.589 65.538 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 88.075 71.637 65.581 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 87.190 72.737 65.036 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 44.250 85.636 5.943 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 43.969 84.779 5.622 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 44.841 85.437 6.669 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 64.854 67.997 3.075 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 65.020 68.916 3.283 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 65.613 67.531 3.425 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 51.621 23.919 -16.648 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 52.020 23.412 -15.941 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 52.292 24.555 -16.894 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 23.411 24.828 35.201 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 23.769 24.227 34.549 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 24.144 25.010 35.789 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 64.162 90.992 -13.226 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 64.004 90.364 -13.931 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 65.115 91.034 -13.150 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 60.524 83.946 31.460 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 60.438 82.994 31.495 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 59.704 84.275 31.827 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 88.528 16.864 -12.161 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 88.977 17.455 -12.766 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 89.066 16.876 -11.370 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 60.499 84.851 -1.655 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 60.770 84.911 -2.571 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 59.543 84.864 -1.686 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 73.949 0.399 8.615 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 74.665 0.951 8.929 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 73.382 0.996 8.127 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 61.246 16.494 15.239 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 61.290 17.140 15.945 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 61.926 16.766 14.622 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 59.165 92.350 3.162 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 59.361 91.413 3.159 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 59.657 92.696 3.906 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 87.552 14.762 46.318 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 87.204 14.902 47.199 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 88.466 15.039 46.375 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 74.361 94.412 24.276 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 74.237 93.959 25.110 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 73.730 95.131 24.297 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 55.087 11.398 36.110 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 55.663 10.666 36.330 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 54.244 11.164 36.498 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 51.057 13.358 -13.678 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 51.175 14.308 -13.680 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 51.440 13.067 -14.506 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 80.330 80.920 7.111 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 80.175 79.977 7.166 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 81.002 81.015 6.436 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 42.185 95.993 30.195 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 43.029 95.921 30.642 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 42.103 96.924 29.987 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 72.858 68.902 -10.000 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 73.264 68.126 -10.385 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 71.918 68.765 -10.116 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 48.919 46.544 3.927 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 49.074 47.477 3.780 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 49.013 46.432 4.873 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 63.535 3.117 29.414 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 62.912 3.796 29.672 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 64.372 3.408 29.777 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 70.670 86.046 50.522 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 70.926 85.358 49.908 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 69.806 86.328 50.221 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 42.499 22.096 35.439 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 43.074 22.434 36.126 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 41.614 22.235 35.777 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 27.821 40.947 7.018 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 26.915 41.161 7.239 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 28.045 41.551 6.311 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 63.863 56.173 36.833 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 63.572 55.342 36.459 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 63.130 56.772 36.689 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 60.211 68.887 25.302 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 59.318 69.224 25.233 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 60.109 67.935 25.307 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 30.131 55.450 52.765 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 30.674 56.129 52.364 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 29.678 55.896 53.480 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 61.035 45.682 11.761 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 60.391 44.976 11.818 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 60.659 46.392 12.281 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 36.762 84.694 -5.291 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 37.168 84.740 -6.156 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 36.190 83.928 -5.334 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 54.426 68.713 50.712 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 54.871 69.508 50.416 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 53.827 68.494 49.998 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 23.455 71.053 -19.166 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 22.500 71.107 -19.130 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 23.730 71.035 -18.250 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 58.809 76.788 16.482 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 59.597 77.281 16.709 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 58.095 77.270 16.901 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 24.567 73.338 15.354 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 23.827 73.250 15.954 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 24.975 72.472 15.347 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 43.764 23.781 -3.339 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 44.350 23.737 -4.095 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 43.363 22.913 -3.296 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 55.973 82.929 13.680 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 55.274 82.366 13.346 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 55.855 82.921 14.630 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 40.582 63.954 -18.170 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 39.640 63.786 -18.191 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 40.925 63.321 -17.539 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 26.665 72.853 4.985 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 27.321 72.862 5.682 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 26.897 73.596 4.428 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 49.620 2.816 24.213 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 49.623 2.887 23.259 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 48.694 2.862 24.454 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 24.626 27.908 39.033 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 24.611 26.952 38.998 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 24.387 28.185 38.149 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 63.142 86.879 39.640 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 62.675 86.978 40.469 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 62.576 86.318 39.111 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 71.478 58.417 27.162 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 71.681 58.648 28.069 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 70.651 57.937 27.216 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 20.218 71.829 51.738 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 21.175 71.814 51.754 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 19.992 71.774 50.810 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 21.399 20.825 58.295 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 22.225 20.343 58.268 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 21.396 21.248 59.153 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 55.780 58.807 20.173 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 54.840 58.900 20.325 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 55.982 59.465 19.508 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 50.355 59.066 5.230 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 51.052 58.522 4.864 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 50.797 59.870 5.504 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 46.966 75.070 4.697 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 47.834 74.666 4.691 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 46.381 74.383 4.376 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 83.901 76.957 -1.718 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 84.012 76.669 -2.624 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 83.159 77.561 -1.747 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 88.095 24.540 4.617 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 88.929 24.513 5.085 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 88.078 23.728 4.110 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 53.728 85.408 40.193 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 54.160 86.234 39.975 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 54.343 84.960 40.773 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 31.575 19.593 53.817 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 32.053 19.216 54.556 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 31.032 20.278 54.207 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 23.021 85.665 57.287 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 22.806 86.179 58.065 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 23.158 84.777 57.617 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 81.791 20.532 -2.483 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 82.559 20.986 -2.135 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 82.076 20.195 -3.332 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 63.790 49.893 57.903 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 62.884 49.633 57.740 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 63.776 50.849 57.867 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 27.627 65.554 27.692 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 27.870 66.130 28.417 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 28.308 65.697 27.034 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 53.821 96.007 26.206 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 52.952 96.187 25.847 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 54.191 96.872 26.384 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 65.505 57.977 40.587 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 64.657 57.595 40.360 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 66.031 57.881 39.793 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 22.047 64.477 61.978 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 22.937 64.139 61.881 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 21.488 63.703 61.911 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 88.133 14.251 -17.247 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 87.639 13.692 -17.848 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 87.464 14.739 -16.768 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 61.486 27.227 64.885 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 62.247 27.302 64.309 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 61.836 27.364 65.765 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 49.993 34.613 52.291 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 49.614 35.490 52.359 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 49.339 34.105 51.810 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 87.178 33.927 21.724 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 88.008 33.482 21.892 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 86.917 34.279 22.575 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 82.406 81.239 66.579 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 82.787 81.899 66.000 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 82.641 81.529 67.461 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 30.120 21.980 41.307 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 30.905 22.318 41.737 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 29.600 22.759 41.111 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 24.122 92.953 31.201 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 24.961 92.510 31.334 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 24.229 93.803 31.628 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 59.183 89.563 27.770 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 59.992 89.455 28.271 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 59.159 88.804 27.187 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 84.989 55.673 54.861 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 84.361 55.210 54.305 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 84.644 55.572 55.748 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 44.713 93.494 8.463 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 44.113 92.759 8.338 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 45.494 93.102 8.854 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 58.859 23.404 -5.627 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 58.128 22.995 -5.165 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 59.585 22.790 -5.517 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 75.286 53.159 13.706 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 74.392 53.427 13.497 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 75.310 53.129 14.663 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 75.315 2.780 39.232 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 76.062 2.607 38.658 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 75.382 2.116 39.918 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 67.363 38.935 -14.660 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 68.056 38.419 -15.071 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 66.690 39.015 -15.336 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 37.048 36.588 2.075 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 37.618 37.223 2.507 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 36.178 36.761 2.436 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 80.511 10.117 59.817 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 80.859 10.999 59.684 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 80.530 9.717 58.948 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 88.230 75.827 30.931 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 88.709 76.054 30.134 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 87.312 75.996 30.716 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 71.667 65.619 41.475 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 72.076 66.032 40.714 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 71.077 64.963 41.104 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 26.689 10.194 65.110 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 27.503 10.106 65.605 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 26.051 9.677 65.602 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 62.555 74.498 -5.375 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 62.253 74.541 -4.467 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 62.070 73.765 -5.755 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 79.703 1.664 53.535 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 80.221 1.794 54.329 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 80.178 2.146 52.857 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 37.245 83.555 16.036 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 36.504 83.646 15.437 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 37.180 82.658 16.364 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 30.455 89.592 -4.041 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 30.859 88.785 -4.359 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 31.059 89.917 -3.374 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 71.271 79.029 35.485 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 71.376 78.315 34.856 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 71.403 79.825 34.969 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 68.566 15.532 -12.517 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 69.346 15.320 -13.029 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 68.274 14.691 -12.165 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 34.740 87.882 18.296 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 34.869 87.296 19.042 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 35.494 88.472 18.321 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 71.260 79.184 6.445 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 70.666 79.821 6.050 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 70.708 78.425 6.633 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 66.015 71.924 56.520 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 65.629 72.691 56.944 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 66.320 72.247 55.672 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 68.432 65.501 -6.962 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 67.827 65.790 -6.279 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 68.331 64.550 -6.985 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 86.195 25.051 8.066 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 85.664 25.039 7.269 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 85.619 25.424 8.733 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 28.773 65.378 -18.408 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 29.408 65.175 -19.095 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 27.996 65.677 -18.880 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 29.199 57.697 6.737 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 29.671 56.876 6.875 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 29.183 58.113 7.599 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 24.976 81.804 23.148 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 24.290 81.318 22.690 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 24.544 82.605 23.445 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 45.607 63.805 -10.664 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 45.337 63.525 -9.789 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 44.925 63.468 -11.244 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 74.428 79.133 42.464 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 74.547 78.382 41.883 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 73.980 79.785 41.926 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 32.192 30.932 53.310 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 31.550 30.250 53.117 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 32.984 30.654 52.849 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 61.576 85.402 37.974 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 60.619 85.423 37.944 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 61.787 84.518 38.273 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 58.970 20.625 48.877 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 58.371 20.282 48.214 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 58.752 21.555 48.939 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 41.896 75.798 -4.075 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 42.354 74.962 -3.989 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 41.267 75.802 -3.354 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 28.389 71.297 2.617 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 27.896 72.075 2.879 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 27.768 70.575 2.715 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 21.725 53.554 36.750 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 21.272 53.076 37.445 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 21.221 53.363 35.959 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 64.822 84.061 50.176 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 63.868 84.133 50.200 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 65.048 84.170 49.252 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 41.278 25.842 44.579 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 41.875 25.959 43.840 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 41.345 26.659 45.073 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 25.311 54.756 9.037 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 25.137 54.335 9.879 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 25.364 55.690 9.242 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 88.085 62.968 10.496 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 88.459 63.494 9.789 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 88.280 63.463 11.292 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 59.169 91.608 -4.966 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 59.793 90.891 -5.081 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 59.676 92.303 -4.547 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 71.732 33.002 26.099 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 71.074 33.649 25.844 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 71.712 32.350 25.399 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 25.712 45.835 55.111 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 26.597 45.699 55.450 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 25.729 45.449 54.236 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 43.445 14.914 26.918 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 44.313 15.095 27.279 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 43.523 15.126 25.988 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 49.454 91.162 -16.942 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 49.485 92.053 -17.291 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 49.703 90.606 -17.680 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 34.026 33.535 36.879 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 34.775 34.129 36.907 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 33.516 33.755 37.658 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 73.451 80.407 8.518 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 74.364 80.345 8.236 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 72.979 79.812 7.936 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 52.422 23.037 17.446 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 52.796 23.459 16.672 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 51.525 23.369 17.491 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 67.413 15.207 57.532 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 67.996 14.690 58.088 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 67.930 15.392 56.748 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 33.446 87.618 24.555 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 33.795 87.764 23.676 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 33.582 86.684 24.715 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 32.142 54.796 20.672 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 32.964 54.310 20.602 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 31.961 54.826 21.612 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 60.677 78.701 17.092 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 61.013 79.456 16.610 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 61.203 78.672 17.891 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 79.926 54.988 58.795 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 79.496 55.693 58.310 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 79.340 54.811 59.531 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 88.420 92.766 16.343 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 88.039 91.951 16.669 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 88.667 93.248 17.132 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 33.060 67.160 21.386 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 33.790 67.384 20.809 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 33.179 67.722 22.152 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 66.143 60.495 51.633 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 65.446 60.072 51.132 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 66.294 61.325 51.182 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 44.324 1.599 17.509 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 44.855 1.146 16.854 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 44.871 2.328 17.800 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 40.989 35.157 -13.903 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 41.783 35.213 -14.435 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 40.952 35.994 -13.440 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 74.792 93.696 -6.037 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 74.409 94.444 -5.579 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 75.521 93.422 -5.481 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 74.515 67.261 62.586 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 75.121 66.737 62.062 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 73.678 66.801 62.516 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 77.139 59.447 29.529 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 77.195 60.400 29.453 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 76.633 59.175 28.763 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 35.416 90.931 21.825 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 36.135 91.220 22.388 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 35.478 91.490 21.051 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 71.607 21.128 55.106 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 70.929 20.765 55.676 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 72.333 21.333 55.696 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 51.132 33.578 60.235 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 50.437 34.222 60.097 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 51.798 34.049 60.736 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 88.820 78.205 46.719 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 89.657 78.657 46.609 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 88.829 77.904 47.628 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 75.260 49.898 -12.745 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 74.401 50.315 -12.678 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 75.467 49.627 -11.851 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 65.037 11.886 -5.255 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 65.969 11.681 -5.185 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 64.971 12.443 -6.031 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 84.865 16.776 -7.567 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 85.313 16.749 -6.722 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 85.100 15.950 -7.990 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 35.266 79.276 4.993 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 35.142 78.362 5.249 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 34.822 79.352 4.149 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 79.391 70.024 4.719 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 78.554 69.583 4.574 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 79.993 69.322 4.963 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 47.523 14.825 64.071 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 46.612 14.611 64.272 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 48.010 14.031 64.293 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 74.134 49.713 41.811 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 73.302 49.321 41.547 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 74.216 49.501 42.741 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 21.138 15.599 8.263 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 21.283 16.329 7.661 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 20.525 15.942 8.913 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 41.196 82.010 46.083 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 40.692 81.543 46.749 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 41.512 82.797 46.528 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 67.902 41.952 63.404 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 67.349 42.594 62.958 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 68.793 42.279 63.284 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 58.005 75.646 -3.020 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 58.104 75.653 -3.972 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 57.064 75.737 -2.875 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 81.225 52.524 -18.688 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 80.278 52.616 -18.577 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 81.582 52.635 -17.807 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 48.329 74.817 16.993 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 48.221 75.682 17.389 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 48.806 74.310 17.650 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 71.723 88.403 51.604 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 71.608 88.310 52.549 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 71.249 87.660 51.230 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 41.801 28.674 12.630 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 41.413 28.477 13.483 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 42.383 27.934 12.455 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 25.069 90.664 -5.778 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 25.591 90.266 -5.081 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 25.275 90.148 -6.557 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 31.323 21.832 -16.581 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 30.462 21.444 -16.426 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 31.161 22.775 -16.603 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 22.974 9.145 6.082 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 23.535 9.887 5.855 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 22.085 9.456 5.912 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 58.764 9.040 14.991 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 58.376 8.438 15.627 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 59.640 8.689 14.832 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 26.406 43.868 13.794 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 26.266 42.927 13.687 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 26.736 43.961 14.688 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 31.456 27.689 12.191 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 30.966 27.822 13.003 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 32.364 27.585 12.474 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 30.628 74.366 8.736 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 30.168 74.196 9.558 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 30.878 75.289 8.787 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 45.284 38.219 48.642 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 45.526 39.052 49.047 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 45.084 38.443 47.734 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 52.835 80.631 35.361 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 52.480 80.703 36.247 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 53.561 80.012 35.442 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 46.214 28.480 -14.709 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 46.334 29.159 -14.045 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 46.161 27.664 -14.210 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 63.385 90.985 42.837 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 62.717 91.629 42.602 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 63.760 90.712 42.000 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 27.417 21.123 0.712 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 27.942 21.831 0.340 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 26.881 21.547 1.382 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 48.353 74.110 41.180 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 47.949 74.969 41.053 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 47.791 73.506 40.695 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 51.469 32.832 6.143 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 51.066 32.376 6.882 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 51.809 33.644 6.518 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 20.557 71.177 -18.422 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 20.660 70.226 -18.415 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 20.642 71.434 -17.504 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 88.008 62.929 3.491 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 88.860 63.364 3.519 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 87.657 63.032 4.375 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 85.565 89.636 41.616 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 86.228 89.044 41.969 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 85.915 89.910 40.768 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 31.393 61.310 59.750 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 32.086 61.951 59.589 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 31.753 60.482 59.432 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 62.265 76.377 -7.462 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 62.700 75.732 -6.904 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 62.603 77.221 -7.161 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 46.275 16.707 49.782 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 46.476 16.262 48.959 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 45.411 16.378 50.028 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 54.842 87.316 28.048 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 55.231 87.637 28.862 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 54.076 87.873 27.913 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 41.572 57.021 61.668 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 41.261 57.308 62.527 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 42.509 57.215 61.675 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 28.929 67.246 2.728 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 29.243 67.014 3.602 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 29.333 66.600 2.149 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 75.318 93.680 18.521 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 75.038 92.804 18.257 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 74.834 93.855 19.328 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 61.700 84.260 22.101 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 60.761 84.344 22.262 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 62.017 83.701 22.810 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 53.804 74.640 -5.494 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 54.014 73.919 -6.086 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 53.338 74.226 -4.767 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 34.755 72.623 6.719 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 34.318 72.112 7.400 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 34.082 72.759 6.052 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 82.424 3.224 -0.034 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 83.060 3.526 -0.682 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 81.979 4.020 0.255 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 75.405 46.930 7.790 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 74.508 46.819 8.107 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 75.686 47.769 8.154 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 47.953 3.749 29.268 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 48.741 4.047 28.813 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 47.561 3.108 28.675 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 84.830 63.182 20.938 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 83.966 62.832 21.155 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 85.349 63.050 21.731 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 74.079 44.777 -1.533 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 73.354 45.360 -1.308 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 73.852 43.942 -1.125 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 39.692 84.583 -7.855 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 38.752 84.606 -8.033 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 39.804 83.850 -7.249 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 39.921 17.456 51.156 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 40.211 17.749 50.292 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 40.273 18.108 51.761 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 70.671 1.095 24.448 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 70.008 0.633 24.960 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 70.563 0.760 23.558 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 40.534 62.330 1.760 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 41.123 62.100 2.478 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 39.696 61.933 1.999 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 22.901 38.996 34.744 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 23.447 38.216 34.646 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 22.079 38.669 35.111 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 90.408 76.875 -1.830 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 90.365 76.447 -0.975 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 90.079 76.219 -2.444 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 55.943 30.349 22.101 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 55.763 31.282 22.215 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 55.188 29.910 22.494 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 68.529 59.698 20.751 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 68.942 60.248 20.085 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 68.494 58.828 20.355 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 39.764 60.805 10.361 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 40.117 61.681 10.512 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 40.386 60.218 10.790 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 78.595 5.023 -16.238 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 79.458 4.628 -16.113 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 78.218 5.056 -15.359 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 28.406 9.899 56.436 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 29.164 9.348 56.631 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 28.737 10.553 55.821 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 87.936 95.004 20.960 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 87.591 94.262 20.463 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 87.812 94.757 21.877 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 36.132 95.169 66.890 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 35.180 95.073 66.853 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 36.426 94.982 65.998 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 38.166 80.919 13.749 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 38.333 80.262 13.073 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 37.827 80.420 14.491 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 36.472 74.453 50.234 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 36.261 73.592 50.595 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 36.925 74.907 50.944 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 77.545 52.903 59.489 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 77.727 53.760 59.873 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 78.179 52.315 59.899 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 68.981 77.234 -19.626 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 69.394 76.625 -19.013 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 69.097 78.094 -19.224 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 90.652 18.113 41.387 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 90.708 17.180 41.593 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 89.994 18.167 40.694 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 62.869 92.445 47.605 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 62.706 92.521 48.545 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 62.416 91.643 47.346 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 88.007 32.364 26.619 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 87.238 32.847 26.316 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 88.640 33.042 26.855 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 48.464 3.077 3.280 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 49.399 3.141 3.477 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 48.417 3.107 2.325 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 63.529 63.180 41.618 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 63.373 62.264 41.392 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 63.976 63.145 42.464 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 60.902 79.710 57.218 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 61.102 79.567 56.293 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 59.947 79.779 57.249 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 78.529 62.635 39.146 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 77.947 62.553 39.902 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 77.949 62.869 38.421 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 64.289 52.382 22.400 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 64.209 51.900 23.223 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 63.449 52.831 22.302 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 25.207 85.158 -10.780 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 24.757 84.505 -11.316 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 24.510 85.742 -10.479 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 34.373 2.444 -5.999 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 33.878 1.859 -6.571 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 34.964 2.913 -6.588 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 44.750 13.312 52.302 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 44.528 13.917 53.009 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 44.403 13.727 51.512 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 66.413 90.441 0.532 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 66.008 89.628 0.230 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 65.697 91.075 0.546 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 78.371 93.580 12.740 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 79.267 93.295 12.923 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 77.828 93.058 13.330 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 57.110 75.340 40.416 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 56.432 74.707 40.180 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 57.571 74.935 41.151 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 66.348 59.823 46.928 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 67.222 60.197 46.817 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 66.412 58.946 46.550 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 71.221 71.047 37.030 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 70.461 71.448 36.609 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 71.824 70.861 36.310 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 75.292 11.721 -17.235 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 75.306 10.884 -16.771 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 74.365 11.884 -17.407 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 24.457 12.657 52.744 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 25.232 12.407 52.241 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 24.066 13.373 52.243 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 25.697 6.662 9.645 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 25.111 7.201 10.176 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 25.640 5.789 10.035 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 51.159 80.854 55.988 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 51.640 81.614 56.314 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 51.114 80.259 56.736 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 57.511 29.681 8.971 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 56.812 30.328 9.063 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 58.264 30.076 9.409 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 40.376 79.815 31.606 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 40.347 80.562 32.205 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 40.933 80.108 30.885 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 77.953 3.353 51.332 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 78.104 2.567 50.807 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 77.002 3.395 51.433 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 56.074 0.956 -2.280 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 56.475 0.399 -1.613 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 56.772 1.556 -2.544 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 21.157 83.934 17.982 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 21.737 84.222 18.686 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 21.721 83.885 17.211 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 79.672 70.078 53.128 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 79.303 70.849 53.560 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 78.975 69.771 52.548 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 54.689 75.645 5.507 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 53.870 75.185 5.319 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 55.157 75.065 6.108 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 54.689 63.025 60.528 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 54.677 63.923 60.860 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 54.165 62.530 61.157 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 75.430 84.771 29.277 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 74.914 84.958 30.061 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 74.909 84.131 28.793 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 78.112 1.894 31.906 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 77.225 1.974 31.556 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 78.122 1.040 32.338 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 86.078 43.037 52.715 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 85.135 43.141 52.841 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 86.462 43.807 53.133 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 87.351 62.115 19.370 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 87.758 61.289 19.631 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 87.956 62.489 18.730 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 71.065 40.883 49.049 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 71.146 41.733 48.617 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 71.418 40.257 48.416 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 47.057 87.987 45.706 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 47.611 88.717 45.430 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 46.584 87.732 44.914 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 46.771 18.295 0.766 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 46.814 18.185 1.716 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 47.427 18.965 0.573 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 24.587 73.561 10.187 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 24.760 74.475 10.414 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 24.989 73.058 10.894 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 50.126 92.992 15.021 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 50.631 93.805 15.003 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 50.780 92.300 14.921 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 44.278 55.696 33.225 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 43.459 55.738 33.720 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 44.865 56.298 33.681 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 70.917 35.798 0.109 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 71.214 36.670 0.368 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 70.602 35.401 0.920 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 81.225 2.659 3.847 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 81.305 1.778 3.481 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 80.308 2.895 3.705 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 82.716 65.764 44.747 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 81.762 65.708 44.810 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 82.873 66.378 44.029 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 55.241 72.282 23.606 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 56.186 72.209 23.473 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 55.103 73.200 23.842 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 29.761 21.457 55.327 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 29.692 22.068 56.060 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 29.124 20.771 55.525 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 42.678 1.614 40.482 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 42.976 0.792 40.093 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 41.815 1.409 40.843 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 74.647 82.368 -13.467 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 74.943 83.246 -13.709 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 75.430 81.823 -13.538 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 60.775 5.262 25.903 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 61.369 5.600 26.574 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 60.763 4.316 26.048 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 75.657 49.036 50.683 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 74.771 49.380 50.565 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 76.229 49.732 50.359 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 41.309 44.970 28.769 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 41.555 44.044 28.759 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 42.050 45.419 28.363 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 22.428 52.567 49.103 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 22.084 51.811 48.626 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 22.095 52.460 49.994 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 26.568 59.290 58.643 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 26.020 58.514 58.764 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 27.224 59.230 59.337 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 53.819 48.380 -7.746 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 52.895 48.622 -7.678 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 54.139 48.403 -6.844 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 70.612 2.923 12.030 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 70.962 2.886 11.139 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 69.686 3.136 11.915 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 86.467 48.860 15.876 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 86.020 48.064 15.589 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 86.889 49.197 15.086 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 53.598 36.377 42.198 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 53.262 36.085 41.351 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 52.863 36.837 42.604 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 61.226 54.731 62.373 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 60.880 54.022 61.831 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 61.285 55.480 61.780 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 89.288 50.301 45.114 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 90.230 50.232 44.961 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 88.892 49.794 44.405 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 60.722 40.556 -4.145 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 61.513 40.983 -3.814 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 60.017 40.899 -3.596 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 47.150 9.820 0.292 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 46.560 10.259 -0.320 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 47.860 10.446 0.434 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 28.655 39.968 -7.199 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 28.862 40.640 -6.550 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 29.078 39.176 -6.868 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 39.514 56.782 12.904 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 40.393 56.828 12.529 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 39.364 57.653 13.271 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 74.398 45.966 56.389 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 74.578 46.903 56.310 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 73.648 45.817 55.814 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 29.551 61.519 -2.787 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 30.248 60.870 -2.881 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 29.108 61.280 -1.973 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 63.083 83.813 45.919 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 62.869 82.891 45.779 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 62.235 84.238 46.050 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 61.768 80.447 2.285 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 62.390 80.715 2.961 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 60.916 80.466 2.721 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 60.700 70.580 -3.748 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 60.546 69.670 -4.001 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 60.527 70.600 -2.806 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 40.737 93.576 52.169 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 41.504 93.173 51.765 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 40.041 93.475 51.519 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 74.377 96.354 -11.320 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 74.164 96.600 -12.220 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 73.806 95.608 -11.134 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 55.401 54.843 50.398 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 55.383 53.931 50.107 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 55.891 55.303 49.716 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 81.224 31.302 -9.547 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 81.068 30.361 -9.631 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 81.961 31.369 -8.941 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 49.393 52.470 -12.026 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 48.694 52.767 -12.608 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 49.468 53.161 -11.368 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 86.915 66.966 10.651 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 86.869 67.589 11.376 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 86.262 66.299 10.865 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 83.552 94.551 6.291 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 83.589 94.721 5.350 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 84.033 93.732 6.406 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 22.669 53.094 5.631 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 23.623 53.058 5.562 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 22.363 52.335 5.134 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 73.857 47.672 38.814 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 74.186 48.423 38.320 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 73.861 46.951 38.185 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 84.462 50.306 27.316 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 83.569 50.190 27.641 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 84.453 49.911 26.444 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 52.730 24.367 31.384 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 52.038 25.027 31.339 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 52.264 23.540 31.509 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 46.412 86.167 -14.677 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 45.800 86.770 -15.098 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 46.925 86.719 -14.087 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 61.614 59.252 24.650 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 61.027 59.662 24.015 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 61.686 58.343 24.360 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 22.200 50.638 19.297 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 22.197 50.849 20.230 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 22.857 51.225 18.921 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 86.038 64.452 7.681 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 86.961 64.476 7.932 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 85.617 63.926 8.361 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 87.696 43.439 49.697 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 86.949 43.831 50.151 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 88.443 43.978 49.956 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 56.942 71.626 26.776 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 57.405 71.394 25.971 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 56.063 71.265 26.660 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 52.342 68.318 31.810 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 52.633 69.225 31.906 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 52.895 67.961 31.116 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 86.292 34.647 29.517 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 85.499 34.321 29.091 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 86.755 33.858 29.799 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 74.926 84.854 48.929 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 75.586 85.055 48.266 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 75.241 85.290 49.721 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 24.902 71.871 12.395 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 25.177 72.533 13.028 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 24.729 71.091 12.922 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 90.493 78.539 6.160 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 91.089 79.201 6.510 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 89.746 78.549 6.758 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 77.174 93.118 -8.145 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 76.507 92.833 -8.769 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 77.274 92.379 -7.545 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 78.667 31.111 24.607 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 78.897 32.031 24.480 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 79.423 30.735 25.058 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 28.364 8.092 51.248 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 27.731 8.779 51.457 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 28.529 8.195 50.310 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 80.739 64.178 22.762 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 80.861 64.304 21.821 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 79.857 64.505 22.936 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 81.025 73.981 35.748 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 81.540 73.286 36.159 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 80.990 73.738 34.823 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 36.595 59.095 17.822 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 37.271 59.573 18.303 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 36.987 58.240 17.644 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 69.879 35.787 63.854 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 70.308 35.782 62.998 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 68.944 35.741 63.655 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 30.142 90.241 1.623 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 29.527 89.972 0.941 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 30.369 91.143 1.399 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 29.150 20.124 22.403 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 28.984 20.096 23.346 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 29.771 20.843 22.290 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 63.913 71.213 -7.631 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 64.294 71.979 -8.061 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 64.478 71.056 -6.875 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 36.008 79.330 33.069 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 35.327 78.657 33.059 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 36.829 78.841 33.105 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 45.341 73.714 46.633 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 45.253 72.872 46.186 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 44.803 73.624 47.420 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 62.136 54.999 -4.656 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 61.504 54.359 -4.981 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 62.259 54.769 -3.735 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 61.661 53.188 22.654 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 61.036 52.494 22.868 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 61.207 53.728 22.007 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 58.140 20.537 24.093 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 57.449 20.226 23.508 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 58.002 21.483 24.146 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 33.413 74.516 41.664 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 33.966 74.199 42.377 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 33.083 73.722 41.244 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 27.568 22.473 6.658 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 28.090 22.867 5.960 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 28.203 22.257 7.341 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 89.699 79.110 0.929 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 89.996 78.249 0.636 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 89.493 78.991 1.856 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 37.048 76.772 -14.837 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 37.659 76.111 -14.511 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 36.341 76.785 -14.191 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 69.956 64.767 62.319 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 70.096 65.649 62.664 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 70.832 64.460 62.083 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 78.042 58.779 19.118 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 78.819 59.171 19.515 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 77.815 59.370 18.400 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 75.434 6.526 -19.438 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 74.859 7.089 -19.957 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 76.267 6.996 -19.408 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 70.309 60.825 34.765 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 70.825 61.609 34.952 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 69.406 61.138 34.714 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 29.568 48.078 -7.074 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 28.841 48.220 -6.467 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 30.132 48.842 -6.956 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 28.325 26.363 37.158 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 28.897 26.912 37.694 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 28.335 26.778 36.295 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 89.564 46.190 50.767 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 89.485 46.057 51.711 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 88.687 46.453 50.488 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 56.638 16.196 62.245 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 56.519 15.441 62.822 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 57.010 15.829 61.443 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 77.732 3.204 -5.945 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 78.438 2.560 -5.888 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 78.092 3.991 -5.534 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 44.147 80.077 -14.304 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 43.384 79.562 -14.043 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 44.477 79.635 -15.087 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 42.031 93.949 3.600 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 41.608 94.087 4.447 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 41.533 94.495 2.991 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 47.754 66.550 64.447 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 48.085 67.394 64.754 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 46.859 66.506 64.783 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 38.696 68.876 31.630 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 39.335 69.003 32.332 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 39.190 69.033 30.825 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 69.708 62.037 1.035 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 70.371 61.736 1.656 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 69.151 62.625 1.545 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 62.190 3.527 40.104 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 61.812 4.340 40.437 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 62.142 3.612 39.152 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 53.021 8.270 28.951 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 53.189 8.763 28.148 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 53.456 7.428 28.811 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 83.818 41.057 41.785 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 83.391 41.913 41.764 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 83.484 40.641 42.579 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 24.626 8.045 59.072 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 24.701 8.984 58.905 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 24.420 7.665 58.218 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 28.504 8.353 -13.975 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 29.290 7.846 -13.774 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 28.555 9.115 -13.398 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 22.171 18.171 51.463 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 22.485 18.604 50.669 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 22.865 17.553 51.689 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 74.811 71.167 36.685 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 74.358 71.875 37.141 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 74.258 70.977 35.927 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 21.481 89.413 -7.655 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 22.021 89.991 -7.117 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 20.669 89.900 -7.790 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 67.013 68.528 -3.840 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 66.961 67.713 -3.341 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 66.193 68.561 -4.333 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 72.938 79.860 13.520 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 72.042 79.653 13.252 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 73.324 79.013 13.740 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 47.203 16.489 30.829 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 46.990 17.116 30.138 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 47.672 17.005 31.485 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 33.652 3.184 25.050 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 33.400 2.372 24.609 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 33.787 3.811 24.340 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 89.628 75.240 47.670 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 88.758 75.408 47.307 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 90.110 74.824 46.956 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 33.713 80.816 29.429 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 33.879 79.963 29.831 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 32.760 80.863 29.352 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 58.957 79.336 -15.830 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 59.254 79.269 -16.738 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 59.522 78.732 -15.347 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 60.671 16.562 10.658 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 60.483 17.488 10.810 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 59.844 16.198 10.340 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 86.059 0.440 32.544 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 85.595 1.217 32.233 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 86.097 -0.138 31.782 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 32.984 36.068 13.364 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 33.782 35.565 13.525 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 32.968 36.722 14.063 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 31.431 26.109 -13.324 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 30.721 25.469 -13.374 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 31.112 26.777 -12.718 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 80.790 0.611 58.389 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 81.296 0.958 57.654 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 81.365 0.714 59.146 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 67.644 4.006 -12.118 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 68.591 4.120 -12.203 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 67.285 4.886 -12.228 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 81.579 16.773 -4.737 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 81.877 17.092 -5.588 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 82.361 16.795 -4.185 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 83.722 42.528 33.216 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 84.578 42.845 33.503 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 83.646 41.656 33.602 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 58.558 29.306 6.346 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 58.104 29.648 7.116 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 59.216 29.970 6.140 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 41.926 15.086 16.009 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 42.531 15.468 16.645 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 42.273 15.351 15.157 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 26.928 89.699 19.585 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 27.506 89.119 20.081 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 26.093 89.231 19.548 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 43.530 16.024 1.541 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 44.270 16.320 2.071 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 43.912 15.823 0.686 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 67.369 81.011 38.217 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 68.194 80.807 37.776 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 67.518 81.864 38.624 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 32.234 15.518 30.468 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 31.951 16.335 30.058 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 31.522 15.289 31.065 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 26.684 38.654 38.455 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 26.981 38.876 37.573 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 25.740 38.812 38.437 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 72.100 51.771 -10.849 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 71.274 51.528 -11.266 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 71.949 51.625 -9.915 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 31.854 75.169 15.284 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 32.553 75.815 15.377 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 32.242 74.470 14.758 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 70.307 59.215 54.506 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 69.792 59.622 55.203 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 70.095 59.724 53.723 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 53.773 15.709 43.284 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 53.488 15.555 42.384 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 53.807 14.838 43.678 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 87.313 41.485 15.033 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 88.197 41.355 14.689 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 87.075 40.637 15.408 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 81.359 3.162 -3.052 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 80.915 3.410 -2.241 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 82.286 3.327 -2.879 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 63.603 85.214 26.273 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 63.677 84.515 26.922 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 63.245 84.784 25.496 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 45.476 11.169 42.707 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 45.308 10.289 42.370 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 45.947 11.611 42.001 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 60.792 87.040 57.715 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 61.528 86.431 57.769 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 60.093 86.618 58.216 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 87.133 21.982 -16.455 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 88.051 22.244 -16.522 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 87.046 21.640 -15.565 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 82.558 84.965 23.969 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 83.034 84.392 24.570 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 83.147 85.071 23.222 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 86.219 81.585 19.566 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 86.656 80.772 19.820 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 85.952 81.983 20.394 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 33.580 83.797 41.747 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 33.526 82.847 41.644 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 34.493 83.961 41.983 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 23.740 75.147 30.597 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 24.213 75.267 31.421 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 23.573 74.205 30.551 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 30.739 74.324 -3.835 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 31.373 74.212 -4.543 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 30.436 73.436 -3.643 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 43.099 52.366 16.762 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 42.534 52.592 17.501 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 43.905 52.858 16.917 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 75.375 33.562 63.632 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 74.449 33.801 63.593 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 75.837 34.399 63.676 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 74.723 61.212 11.641 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 75.067 60.786 12.426 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 74.958 60.622 10.925 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 20.841 58.461 15.319 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 20.297 58.186 16.057 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 21.726 58.511 15.679 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 52.524 73.938 5.657 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 52.259 74.190 6.541 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 52.486 72.981 5.659 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 81.839 71.307 36.751 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 82.740 71.014 36.891 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 81.490 70.703 36.095 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 88.779 25.517 35.249 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 88.196 25.057 35.853 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 88.281 26.286 34.973 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 67.900 3.154 63.382 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 68.343 3.813 62.848 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 68.329 3.209 64.236 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 43.259 94.956 10.833 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 43.392 94.981 9.885 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 42.465 95.470 10.977 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 67.762 76.262 59.876 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 67.040 76.538 60.440 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 68.005 77.052 59.393 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 33.431 69.442 6.261 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 34.096 68.908 6.695 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 32.649 68.891 6.254 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 80.949 46.669 -14.239 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 80.813 47.604 -14.084 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 80.240 46.418 -14.831 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 53.409 73.319 0.237 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 53.584 73.276 1.177 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 54.012 72.684 -0.149 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 35.429 53.825 9.804 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 35.058 53.123 10.339 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 36.338 53.894 10.094 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 74.444 85.251 63.141 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 73.999 86.087 63.001 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 74.740 85.286 64.051 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 56.904 84.057 26.991 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 56.504 84.844 26.620 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 56.429 83.332 26.583 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 81.192 19.429 5.690 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 81.640 19.575 6.523 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 81.329 20.239 5.198 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 79.227 50.860 7.043 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 80.145 51.012 6.819 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 78.762 51.610 6.671 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 65.244 87.536 66.883 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 65.382 86.662 67.248 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 66.122 87.914 66.828 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 52.973 80.329 45.013 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 52.594 80.797 44.269 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 52.363 79.610 45.180 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 22.639 53.771 63.858 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 22.651 54.536 64.433 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 23.144 53.109 64.330 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 46.004 81.185 3.981 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 45.537 80.809 3.235 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 46.929 81.046 3.779 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 55.316 22.374 -3.184 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 55.296 23.150 -2.625 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 55.049 22.692 -4.046 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 20.431 64.142 3.807 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 20.914 64.569 3.099 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 21.088 63.617 4.264 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 51.200 95.170 30.994 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 50.466 94.601 30.764 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 51.730 95.212 30.198 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 59.315 75.729 -8.468 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 59.347 74.919 -8.976 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 60.160 75.765 -8.020 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 47.109 1.178 41.785 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 46.856 0.270 41.623 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 46.296 1.674 41.690 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 25.663 62.114 -1.068 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 24.741 62.339 -1.191 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 25.931 62.614 -0.297 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 62.081 67.694 59.296 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 61.675 67.019 58.752 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 62.833 67.258 59.697 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 51.919 88.427 2.306 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 52.367 88.332 3.146 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 52.621 88.395 1.655 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 66.693 65.590 -13.593 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 66.862 65.886 -12.699 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 65.768 65.785 -13.740 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 89.336 94.617 32.299 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 88.424 94.784 32.058 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 89.308 93.795 32.788 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 65.210 11.858 2.233 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 65.791 12.493 2.651 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 64.422 11.861 2.775 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 46.185 36.705 57.840 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 46.320 36.796 58.783 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 45.340 37.123 57.677 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 67.834 31.809 -13.579 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 67.027 32.068 -13.135 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 68.482 32.454 -13.295 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 64.813 41.374 10.798 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 65.478 41.152 11.450 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 64.329 42.101 11.188 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 31.816 65.483 -15.580 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 31.984 66.221 -16.167 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 31.064 65.759 -15.056 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 69.479 81.586 20.621 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 68.620 81.199 20.787 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 70.064 80.835 20.514 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 78.925 40.260 42.465 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 78.611 40.739 43.232 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 79.205 40.941 41.854 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 25.940 70.852 62.189 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 26.636 70.510 61.627 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 25.360 71.325 61.592 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 39.324 93.864 38.040 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 38.810 93.474 38.748 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 40.081 93.286 37.947 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 72.960 3.400 9.893 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 73.770 2.904 9.768 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 73.119 3.924 10.679 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 31.456 60.836 0.555 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 31.351 59.889 0.473 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 31.416 61.001 1.497 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 68.517 56.304 -17.271 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 68.653 56.294 -16.324 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 68.084 55.471 -17.461 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 62.619 78.916 -6.626 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 62.176 79.762 -6.552 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 63.552 79.131 -6.603 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 78.303 28.626 27.754 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 78.438 29.564 27.887 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 78.974 28.208 28.293 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 20.394 56.927 -4.438 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 20.896 56.648 -3.672 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 20.939 56.679 -5.185 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 62.225 92.664 31.955 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 61.544 92.038 32.203 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 62.986 92.409 32.476 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 83.656 1.637 -11.343 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 83.145 1.281 -10.617 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 84.499 1.186 -11.288 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 88.149 93.302 66.926 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 88.456 93.569 66.060 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 87.699 94.073 67.270 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 83.697 87.531 -12.517 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 84.437 87.098 -12.091 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 83.401 86.905 -13.178 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 77.340 84.748 32.299 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 76.441 85.074 32.326 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 77.875 85.494 32.569 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 68.723 34.391 44.442 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 69.676 34.461 44.503 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 68.406 34.669 45.301 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 22.822 83.792 -5.369 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 22.727 84.626 -4.908 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 22.576 83.131 -4.723 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 22.890 94.114 29.107 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 23.327 93.648 29.820 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 23.369 93.852 28.321 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 58.524 40.168 1.454 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 57.827 40.551 1.986 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 58.068 39.606 0.828 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 37.983 78.893 -12.479 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 38.206 79.765 -12.805 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 37.030 78.846 -12.552 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 34.416 53.522 -2.153 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 34.832 53.354 -1.307 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 33.486 53.616 -1.949 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 48.456 88.417 17.075 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 48.672 89.153 17.647 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 49.264 87.906 17.024 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 86.720 77.765 4.101 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 86.478 78.257 4.886 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 86.998 76.910 4.430 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 42.454 66.408 51.226 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 42.582 66.999 51.969 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 42.864 66.858 50.488 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 51.697 77.565 15.446 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 52.372 78.215 15.643 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 51.229 77.927 14.693 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 32.903 96.107 -16.798 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 33.427 95.309 -16.717 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 32.078 95.813 -17.185 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 67.096 9.149 61.061 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 66.605 9.936 61.296 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 67.655 8.980 61.819 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 81.570 20.435 43.415 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 82.362 20.707 42.952 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 81.228 21.242 43.801 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 81.890 92.662 13.852 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 81.680 91.751 13.647 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 82.354 92.619 14.688 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 67.676 11.463 -5.687 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 67.991 12.106 -6.323 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 68.283 11.538 -4.950 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 58.552 20.031 52.517 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 58.102 19.657 53.275 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 58.079 20.842 52.332 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 29.769 94.917 61.400 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 29.063 95.554 61.510 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 29.600 94.253 62.068 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 51.685 16.011 0.949 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 52.165 16.009 1.778 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 52.361 15.899 0.281 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 23.604 20.053 -13.446 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 23.369 20.662 -14.146 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 23.954 20.610 -12.751 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 38.764 0.572 23.383 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 38.697 -0.351 23.630 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 37.858 0.881 23.363 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 73.622 14.113 5.137 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 73.484 14.096 4.190 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 74.044 14.956 5.302 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 48.966 78.142 57.988 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 49.004 78.254 57.038 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 48.533 78.934 58.306 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 28.797 84.575 57.863 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 29.636 84.175 58.091 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 28.893 84.828 56.945 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 34.852 23.336 28.493 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 34.220 23.292 29.210 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 35.679 23.570 28.916 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 36.068 69.493 26.335 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 36.638 68.920 26.848 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 36.585 69.716 25.561 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 73.982 76.807 12.777 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 73.670 76.547 11.910 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 74.836 77.207 12.614 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 75.008 4.095 51.556 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 75.341 4.991 51.612 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 74.135 4.186 51.176 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 31.759 78.175 26.288 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 32.556 78.573 26.639 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 31.047 78.700 26.654 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 53.522 51.952 20.983 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 52.764 51.486 20.629 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 53.308 52.878 20.870 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 37.413 70.851 29.879 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 38.062 70.524 29.256 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 37.571 70.347 30.677 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 55.397 72.295 62.790 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 54.960 72.279 63.642 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 55.457 71.374 62.535 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 87.386 6.682 48.028 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 87.982 6.145 48.550 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 87.912 6.968 47.281 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 56.011 87.365 50.552 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 56.383 86.544 50.874 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 56.770 87.880 50.277 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 57.927 64.815 26.937 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 57.247 64.375 27.447 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 57.713 64.612 26.026 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 53.855 31.831 -1.350 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 53.405 31.191 -0.799 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 54.264 32.436 -0.731 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 74.505 4.880 11.764 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 74.550 5.443 10.991 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 75.417 4.668 11.961 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 60.000 42.813 -12.863 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 59.840 42.287 -12.080 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 59.399 42.457 -13.518 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 65.703 67.267 30.325 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 66.434 66.802 29.916 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 64.990 67.198 29.690 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 80.923 91.913 39.898 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 81.051 91.134 39.356 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 80.002 92.142 39.775 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 49.829 25.893 39.112 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 49.047 26.289 38.729 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 50.098 25.230 38.476 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 77.310 89.973 -3.931 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 78.007 89.782 -3.303 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 77.055 90.875 -3.738 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 41.507 53.970 -1.023 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 42.071 54.725 -0.859 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 40.709 54.343 -1.398 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 37.304 89.701 47.979 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 38.091 90.189 48.219 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 36.839 90.279 47.373 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 77.385 75.062 -2.335 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 76.874 74.749 -3.081 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 76.735 75.435 -1.739 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 84.930 31.489 7.112 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 85.463 31.255 6.353 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 84.636 32.382 6.933 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 80.937 46.990 41.546 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 81.768 46.528 41.657 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 80.327 46.529 42.122 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 42.045 94.336 56.781 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 41.460 94.492 56.039 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 42.817 93.923 56.395 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 62.929 68.741 -1.543 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 62.075 68.316 -1.467 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 62.881 69.486 -0.943 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 76.729 38.601 41.930 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 77.435 39.017 42.425 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 76.724 39.058 41.089 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 64.114 1.624 13.232 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 63.817 1.045 12.530 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 63.407 1.604 13.877 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 48.702 78.104 4.703 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 48.740 78.214 5.654 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 49.463 77.562 4.494 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 30.294 84.469 2.525 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 31.107 84.972 2.498 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 30.563 83.568 2.348 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 20.462 77.430 19.072 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 20.744 78.321 19.279 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 20.255 77.454 18.138 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 66.532 30.291 -19.304 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 66.174 31.104 -19.661 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 65.852 29.638 -19.467 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 34.714 14.639 13.869 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 34.128 14.397 14.586 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 35.551 14.821 14.294 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 74.393 26.325 31.661 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 74.990 26.674 30.999 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 74.117 27.091 32.163 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 73.081 87.780 43.107 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 72.595 86.971 42.952 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 73.394 87.703 44.009 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 43.227 13.689 48.223 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 43.623 12.926 47.801 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 42.914 14.229 47.497 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 82.984 6.258 41.348 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 83.039 6.402 40.403 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 82.883 7.135 41.718 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 39.568 75.898 66.114 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 40.304 75.289 66.174 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 39.474 76.069 65.177 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 49.400 66.036 6.021 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 49.190 65.680 6.885 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 50.134 65.503 5.714 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 50.324 79.447 6.855 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 51.004 79.753 6.255 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 50.517 78.518 6.983 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 77.248 63.429 13.607 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 76.544 63.211 14.217 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 76.886 63.233 12.742 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 64.737 93.069 24.628 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 64.741 93.253 25.567 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 65.662 93.049 24.383 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 83.006 41.209 -16.773 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 83.899 41.143 -17.111 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 82.938 42.108 -16.450 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 54.951 26.255 19.024 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 54.533 27.022 18.632 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 55.060 26.487 19.946 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 75.341 67.035 31.938 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 75.619 67.431 31.112 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 75.518 66.101 31.828 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 80.094 52.643 12.417 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 79.618 51.915 12.015 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 80.346 52.316 13.281 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 47.831 57.720 9.690 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 48.280 58.179 8.979 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 48.219 58.077 10.489 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 22.168 46.589 66.771 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 21.579 47.343 66.814 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 22.870 46.798 67.387 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 67.860 6.559 8.307 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 67.158 6.886 8.870 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 67.406 6.106 7.597 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 48.996 91.737 34.725 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 49.055 90.810 34.497 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 48.091 91.857 35.014 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 70.090 91.768 55.028 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 70.787 91.398 55.570 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 70.379 91.614 54.129 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 35.109 21.698 -13.880 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 35.082 22.408 -14.522 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 34.367 21.139 -14.110 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 40.319 15.296 -18.058 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 40.656 15.082 -17.188 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 41.099 15.361 -18.609 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 21.776 58.118 56.264 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 21.655 58.832 55.638 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 22.565 57.667 55.965 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 44.376 42.618 1.772 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 44.364 43.572 1.696 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 44.111 42.446 2.676 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 88.910 9.849 0.351 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 89.638 10.430 0.571 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 89.305 8.978 0.303 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 20.823 50.177 -1.591 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 21.354 50.761 -2.131 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 20.000 50.649 -1.464 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 77.318 41.562 19.111 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 78.197 41.448 19.472 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 77.460 41.962 18.253 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 52.561 94.454 40.812 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 52.290 93.832 41.487 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 52.124 94.150 40.017 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 51.110 96.375 24.830 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 50.441 95.951 24.292 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 50.684 96.518 25.675 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 81.652 81.182 18.301 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 82.004 80.957 19.162 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 80.758 80.841 18.310 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 86.093 85.362 62.386 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 85.751 84.514 62.103 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 86.960 85.166 62.740 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 21.785 7.500 -14.953 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 21.216 7.138 -15.632 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 21.333 8.289 -14.655 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 68.320 75.808 10.488 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 67.555 76.266 10.837 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 67.954 75.077 9.991 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 62.401 68.354 62.470 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 62.835 67.904 63.195 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 63.111 68.796 62.004 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 48.555 67.544 10.104 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 49.070 67.577 10.910 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 47.937 68.270 10.184 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 43.457 70.900 59.889 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 43.144 70.222 60.487 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 42.700 71.470 59.755 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 41.242 84.489 -16.731 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 40.289 84.566 -16.689 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 41.433 83.642 -16.327 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 34.332 20.266 33.218 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 33.814 20.633 32.501 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 35.032 20.904 33.359 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 69.479 85.995 -15.656 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 69.464 85.546 -14.810 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 68.567 85.991 -15.945 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 69.862 76.695 53.517 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 69.600 77.385 54.126 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 69.073 76.164 53.402 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 21.612 68.599 48.481 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 22.544 68.755 48.327 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 21.212 68.657 47.614 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 26.852 62.795 -12.414 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 27.759 62.716 -12.119 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 26.377 62.136 -11.906 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 61.283 4.543 -6.706 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 60.937 3.674 -6.912 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 60.997 4.708 -5.807 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 75.804 33.324 -6.615 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 75.729 32.484 -6.161 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 76.180 33.915 -5.963 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 87.188 20.531 6.019 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 87.996 20.042 6.175 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 87.465 21.298 5.517 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 41.751 89.690 11.269 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 42.127 89.102 11.924 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 42.508 90.119 10.870 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 27.516 37.406 63.180 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 27.955 37.635 62.362 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 26.962 38.163 63.375 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 47.141 57.189 61.512 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 47.897 57.033 60.946 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 46.986 56.349 61.942 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 80.810 68.946 39.056 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 81.637 68.606 38.715 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 80.278 69.110 38.277 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 84.110 95.928 3.796 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 84.821 95.416 3.411 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 83.739 96.415 3.060 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 81.792 53.574 31.828 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 81.674 53.840 32.740 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 81.623 54.369 31.323 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 71.810 65.317 -18.203 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 71.779 64.556 -18.782 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 71.296 65.985 -18.656 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 74.833 84.235 -15.795 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 75.775 84.232 -15.962 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 74.519 85.041 -16.205 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 80.480 42.890 -0.511 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 79.622 43.002 -0.919 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 80.584 43.662 0.046 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 50.741 85.921 20.888 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 50.472 86.528 21.578 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 51.168 85.203 21.355 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 71.502 94.273 64.709 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 72.366 94.066 65.064 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 70.951 93.537 64.973 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 47.337 95.833 23.145 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 48.127 95.749 22.611 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 46.618 95.829 22.514 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 31.642 60.364 24.550 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 31.322 60.802 23.761 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 32.566 60.609 24.603 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 62.399 48.277 13.203 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 62.483 48.948 13.880 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 61.460 48.094 13.161 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 50.907 69.091 55.072 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 50.807 69.449 54.190 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 50.128 68.550 55.202 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 89.971 43.180 17.430 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 89.905 42.372 16.921 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 90.239 43.844 16.795 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 65.766 1.600 60.868 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 66.257 0.880 61.262 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 66.069 1.628 59.960 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 70.188 58.492 41.010 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 69.714 59.304 40.833 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 69.502 57.838 41.147 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 21.175 44.981 -12.816 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 21.093 44.094 -13.164 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 20.292 45.206 -12.523 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 25.230 86.874 -1.949 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 25.677 87.701 -2.126 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 25.264 86.782 -0.997 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 24.493 31.838 12.058 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 25.180 32.416 12.390 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 23.711 32.389 12.025 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 69.924 67.276 -19.470 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 69.540 66.625 -20.057 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 69.246 67.439 -18.815 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 89.602 75.038 4.594 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 90.362 74.467 4.706 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 89.277 75.183 5.482 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 69.688 51.326 12.109 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 68.961 51.339 12.732 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 69.322 51.696 11.306 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 31.450 91.668 -5.702 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 30.926 91.125 -5.113 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 30.837 91.946 -6.382 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 36.916 59.130 6.537 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 37.654 59.527 6.998 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 36.260 58.981 7.218 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 88.967 68.849 42.679 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 88.332 68.136 42.602 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 89.773 68.493 42.306 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 24.638 39.915 42.125 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 23.897 39.878 41.520 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 25.323 40.373 41.638 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 80.695 23.214 61.461 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 80.813 24.159 61.553 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 81.301 22.834 62.097 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 66.993 43.124 33.669 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 67.486 42.435 33.224 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 66.485 43.543 32.974 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 68.354 55.395 -14.357 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 68.507 55.536 -13.423 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 68.778 54.557 -14.546 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 68.373 27.278 -15.666 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 68.215 27.584 -14.773 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 67.876 27.882 -16.218 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 32.299 94.965 43.326 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 31.863 95.803 43.481 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 31.813 94.572 42.602 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 67.167 73.197 31.981 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 67.036 72.251 31.923 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 66.373 73.573 31.600 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 40.434 94.578 19.895 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 39.810 94.163 20.490 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 40.772 93.859 19.362 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 88.852 63.143 13.185 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 89.700 62.707 13.104 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 88.351 62.586 13.781 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 27.817 50.777 -14.232 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 28.424 51.319 -14.737 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 28.364 50.366 -13.562 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 22.421 80.461 59.987 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 23.052 79.741 60.020 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 21.567 80.033 60.046 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 47.992 21.853 30.609 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 47.373 21.147 30.796 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 48.090 21.842 29.657 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 87.571 59.886 50.075 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 87.644 60.840 50.116 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 87.244 59.634 50.939 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 54.270 19.402 52.624 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 54.604 19.974 51.933 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 53.593 18.878 52.196 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 89.943 51.747 8.827 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 90.284 51.439 9.667 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 90.333 51.160 8.180 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 81.691 4.114 -6.247 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 81.228 4.442 -7.018 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 81.577 4.800 -5.589 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 74.884 35.950 30.378 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 74.962 36.294 31.268 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 75.451 35.179 30.370 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 60.075 86.358 1.941 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 60.178 86.419 2.891 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 59.138 86.214 1.810 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 84.613 31.027 -16.134 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 84.436 31.798 -15.595 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 85.548 31.084 -16.334 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 81.471 57.423 18.647 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 81.507 57.581 17.704 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 81.126 58.238 19.014 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 48.557 42.669 -14.667 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 48.583 42.531 -15.613 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 48.749 41.808 -14.294 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 47.778 9.665 10.867 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 47.050 10.256 11.058 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 48.301 9.661 11.669 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 61.916 90.484 5.271 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 61.468 91.320 5.399 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 61.211 89.852 5.134 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 49.418 76.388 44.558 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 48.780 76.425 43.845 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 48.887 76.297 45.350 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 39.043 30.607 35.423 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 38.969 31.464 35.004 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 39.985 30.446 35.476 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 84.135 75.233 -3.791 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 83.530 74.757 -3.224 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 84.937 74.710 -3.780 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 36.925 84.808 -8.311 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 36.627 85.626 -8.709 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 36.244 84.172 -8.532 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 71.798 1.069 13.498 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 71.080 1.626 13.198 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 72.498 1.216 12.862 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 40.565 83.306 42.603 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 40.571 84.156 42.163 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 40.853 83.496 43.496 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 82.973 59.426 49.705 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 83.867 59.336 49.376 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 82.525 59.950 49.042 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 54.425 22.692 -5.809 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 54.538 21.747 -5.907 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 53.485 22.808 -5.670 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 51.150 67.118 58.919 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 51.288 68.038 59.145 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 50.313 67.108 58.454 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 88.744 24.623 56.282 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 89.286 25.364 56.550 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 88.163 24.469 57.027 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 82.413 58.230 -1.779 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 81.840 58.338 -1.020 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 82.640 59.123 -2.037 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 35.566 21.569 22.323 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 35.170 21.296 21.496 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 35.996 20.781 22.656 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 69.692 65.767 43.506 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 70.390 66.101 42.943 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 68.909 65.785 42.955 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 24.955 55.111 -5.344 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 24.392 54.343 -5.244 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 24.361 55.857 -5.260 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 67.372 93.439 0.452 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 66.622 92.851 0.541 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 67.133 94.212 0.965 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 78.955 28.908 -19.250 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 78.156 28.953 -18.725 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 78.751 29.405 -20.042 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 52.717 30.229 7.584 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 53.650 30.063 7.717 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 52.355 30.287 8.469 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 87.849 75.934 40.928 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 88.552 76.422 40.499 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 87.923 75.047 40.577 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 80.344 61.438 -15.746 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 80.512 62.374 -15.638 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 79.999 61.357 -16.636 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 37.589 20.870 64.586 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 37.458 20.619 65.501 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 37.334 20.095 64.086 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 36.477 12.042 25.659 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 35.853 11.732 26.315 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 36.253 12.964 25.531 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 62.232 71.277 -14.229 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 61.281 71.267 -14.126 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 62.570 71.328 -13.335 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 66.409 1.280 22.981 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 65.964 2.120 23.098 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 66.094 0.957 22.136 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 77.570 25.946 6.393 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 77.181 25.231 6.897 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 78.173 26.370 7.005 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 72.520 0.483 17.309 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 72.957 1.172 16.809 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 72.557 -0.286 16.741 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 76.496 70.306 -17.967 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 77.242 69.848 -17.581 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 76.391 71.091 -17.430 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 65.985 7.279 25.437 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 66.166 6.768 26.226 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 65.043 7.182 25.298 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 36.373 90.320 27.008 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 35.465 90.091 26.810 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 36.888 89.603 26.638 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 70.658 21.481 3.295 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 70.851 21.916 2.464 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 69.886 21.937 3.631 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 42.525 1.640 59.571 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 41.924 1.109 59.049 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 43.028 1.003 60.078 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 46.611 80.417 -12.104 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 47.338 79.846 -12.352 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 45.838 79.999 -12.483 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 82.577 63.798 -8.934 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 81.944 63.247 -9.393 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 82.579 64.621 -9.423 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 62.619 16.024 4.215 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 62.732 15.791 5.136 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 61.685 16.214 4.128 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 69.081 83.053 39.486 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 69.641 82.472 40.001 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 68.524 83.486 40.134 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 60.012 58.189 46.333 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 59.690 58.136 47.233 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 59.293 58.590 45.845 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 79.868 49.744 64.261 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 79.152 50.376 64.194 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 79.441 48.922 64.503 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 31.568 60.996 62.897 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 31.532 61.585 62.144 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 32.280 60.390 62.695 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 45.716 36.058 -16.293 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 46.519 35.729 -16.696 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 45.907 36.077 -15.356 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 77.849 58.882 38.731 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 76.902 58.781 38.631 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 78.033 59.760 38.398 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 68.853 33.862 33.007 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 68.769 34.663 32.490 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 68.017 33.783 33.465 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 33.155 79.100 32.773 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 33.704 79.841 33.029 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 32.350 79.500 32.444 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 77.872 71.382 60.721 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 77.047 71.864 60.658 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 78.487 71.890 60.191 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 24.763 10.410 47.408 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 23.975 10.658 46.924 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 25.055 11.222 47.823 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 78.026 78.467 49.950 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 77.685 78.537 50.841 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 78.236 77.539 49.845 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 57.193 19.314 20.989 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 57.019 20.160 20.577 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 57.466 18.747 20.268 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 32.970 84.085 24.772 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 32.131 83.634 24.680 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 33.173 84.026 25.706 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 37.540 29.279 -0.316 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 38.487 29.310 -0.454 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 37.417 29.601 0.576 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 43.234 73.076 9.977 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 42.379 72.703 10.189 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 43.837 72.333 10.016 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 79.503 49.926 -0.717 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 79.136 49.961 0.167 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 78.864 50.388 -1.260 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 74.990 77.777 2.814 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 74.607 76.953 2.513 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 75.810 77.853 2.326 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 88.479 30.452 -2.384 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 88.725 30.691 -1.490 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 88.948 31.078 -2.937 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 79.259 77.688 -19.242 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 78.962 78.308 -18.577 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 80.044 77.290 -18.866 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 79.645 27.692 11.674 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 79.469 26.784 11.427 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 79.079 28.211 11.101 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 21.752 50.525 -19.054 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 21.245 49.764 -19.337 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 22.442 50.612 -19.712 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 61.978 80.268 10.368 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 61.962 80.238 9.411 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 62.801 79.842 10.607 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 26.897 70.437 51.839 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 27.507 70.132 51.168 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 27.426 70.995 52.409 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 87.772 65.623 26.884 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 87.429 65.420 26.014 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 88.305 64.862 27.116 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 81.470 5.437 1.333 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 81.965 6.213 1.071 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 80.584 5.761 1.496 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 42.820 93.378 -13.390 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 41.978 93.459 -13.838 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 43.044 94.274 -13.137 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 72.381 79.959 22.644 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 72.008 79.268 23.191 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 71.734 80.094 21.952 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 84.107 91.452 28.236 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 84.283 90.512 28.290 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 83.711 91.572 27.373 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 54.478 81.420 21.040 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 54.939 80.618 21.285 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 54.331 81.875 21.870 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 51.018 95.218 18.426 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 51.803 94.820 18.050 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 51.115 96.153 18.249 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 88.612 65.323 52.687 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 87.992 65.227 51.964 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 88.116 65.071 53.465 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 30.539 64.704 7.922 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 31.115 64.812 8.678 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 29.656 64.707 8.291 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 75.330 82.670 40.448 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 74.627 82.109 40.121 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 75.672 82.205 41.212 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 35.591 76.271 9.395 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 36.313 75.836 8.941 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 36.012 76.760 10.102 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 79.560 94.169 -15.807 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 78.969 94.920 -15.765 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 80.415 94.523 -15.561 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 57.328 64.675 22.008 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 58.122 64.984 21.571 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 56.966 64.019 21.412 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 89.106 70.065 4.769 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 89.891 70.484 5.121 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 88.962 69.308 5.337 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 65.894 45.049 -1.195 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 66.600 44.728 -0.633 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 65.908 45.999 -1.079 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 83.095 89.068 42.411 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 83.995 89.348 42.240 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 82.871 88.513 41.665 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 73.546 55.404 -1.806 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 73.417 55.507 -0.864 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 73.598 56.299 -2.141 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 89.793 23.632 64.952 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 89.508 24.001 65.788 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 90.290 24.337 64.536 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 87.450 34.804 7.802 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 88.231 34.251 7.805 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 86.844 34.367 8.400 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 44.636 90.331 20.462 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 43.945 89.682 20.328 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 45.423 89.813 20.632 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 29.144 58.607 9.307 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 29.066 59.529 9.555 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 29.898 58.289 9.803 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 83.271 2.005 59.075 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 82.944 1.459 59.790 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 84.217 1.860 59.076 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 60.418 77.010 -2.489 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 59.556 76.630 -2.657 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 60.232 77.840 -2.051 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 34.045 68.741 35.307 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 34.237 68.774 34.370 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 34.868 68.989 35.729 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 88.444 39.260 -11.163 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 89.052 39.388 -10.434 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 88.986 38.905 -11.868 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 83.978 39.666 38.425 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 84.157 39.712 39.364 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 84.726 40.101 38.016 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 49.684 88.472 5.678 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 49.272 87.794 6.215 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 50.549 88.594 6.068 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 87.397 56.029 34.615 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 87.426 55.605 35.473 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 86.652 55.624 34.172 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 21.208 80.035 19.895 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 21.921 80.118 20.528 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 20.467 80.478 20.307 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 31.449 22.945 34.748 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 32.287 22.504 34.892 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 30.958 22.349 34.182 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 51.631 79.472 64.865 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 52.469 79.042 65.036 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 51.634 80.240 65.436 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 50.739 79.994 28.916 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 50.813 79.498 28.101 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 50.266 79.411 29.510 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 25.393 28.788 41.389 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 24.700 28.755 42.049 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 24.973 28.481 40.585 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 85.769 54.520 1.093 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 85.199 55.068 0.553 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 86.649 54.863 0.938 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 25.472 68.598 -2.225 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 25.096 67.737 -2.404 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 25.693 68.575 -1.294 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 30.239 73.609 -11.055 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 31.092 73.317 -10.733 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 30.418 74.447 -11.480 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 89.634 40.507 39.046 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 89.010 40.276 39.735 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 89.473 39.867 38.352 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 62.066 84.897 -10.246 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 62.980 84.618 -10.206 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 61.974 85.522 -9.527 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 65.805 66.370 43.164 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 64.919 66.508 43.500 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 65.810 66.809 42.313 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 48.637 81.792 45.727 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 49.248 81.122 46.034 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 48.229 82.129 46.524 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 28.577 57.080 22.998 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 29.338 57.522 23.373 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 28.480 57.466 22.128 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 69.785 87.946 12.288 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 70.251 87.142 12.516 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 70.351 88.649 12.608 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 65.468 9.611 56.324 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 65.628 9.481 57.258 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 64.993 10.440 56.274 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 64.443 21.957 52.467 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 63.590 21.623 52.745 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 64.240 22.591 51.779 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 22.487 73.847 8.384 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 22.152 72.988 8.124 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 23.230 73.651 8.955 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 89.079 71.703 20.559 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 88.399 71.229 20.080 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 89.672 71.019 20.871 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 36.070 54.836 16.277 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 36.765 55.118 15.682 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 36.425 54.995 17.152 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 25.038 69.462 10.309 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 25.047 70.291 9.831 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 25.526 69.643 11.113 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 84.646 79.203 64.555 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 85.286 78.967 65.227 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 83.823 79.304 65.032 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 51.192 38.944 28.875 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 51.648 38.160 28.568 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 51.039 39.458 28.082 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 61.719 74.416 60.521 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 62.066 75.223 60.140 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 62.413 73.770 60.390 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 35.606 58.689 -10.713 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 36.127 59.039 -9.990 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 34.869 58.251 -10.287 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 87.422 77.361 17.257 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 87.840 77.976 17.859 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 88.087 76.691 17.098 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 31.432 41.858 53.496 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 32.066 41.632 52.816 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 31.615 42.776 53.698 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 70.599 4.238 14.991 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 70.744 4.610 14.121 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 71.157 3.460 15.017 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 27.230 20.164 46.613 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 27.325 20.980 47.104 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 27.267 20.431 45.694 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 24.351 78.342 59.610 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 24.189 77.598 59.031 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 25.168 78.723 59.287 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 81.022 69.582 14.624 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 80.896 68.634 14.652 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 80.785 69.882 15.502 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 62.106 18.897 55.959 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 61.929 18.169 56.555 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 62.733 18.544 55.327 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 69.907 42.647 -9.441 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 69.413 42.841 -8.644 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 69.241 42.401 -10.082 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 67.743 68.225 13.452 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 67.462 67.893 12.599 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 68.618 68.579 13.296 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 29.963 76.726 53.837 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 30.889 76.539 53.685 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 29.679 77.187 53.047 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 36.263 51.905 17.224 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 37.152 51.761 17.550 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 36.290 52.777 16.831 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 30.435 9.477 -10.270 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 30.339 8.573 -10.570 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 29.778 9.966 -10.765 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 53.042 88.377 -1.376 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 53.521 88.240 -2.193 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 52.388 87.678 -1.361 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 88.124 66.142 41.951 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 88.736 66.067 41.219 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 87.402 65.558 41.722 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 58.560 66.038 49.836 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 58.520 65.083 49.775 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 57.651 66.308 49.971 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 72.423 81.395 55.328 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 72.067 81.955 56.019 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 72.775 80.636 55.793 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 63.193 44.909 0.457 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 64.138 44.900 0.303 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 63.057 45.631 1.071 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 85.831 52.523 16.333 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 85.820 51.594 16.103 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 85.740 52.535 17.285 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 71.140 71.807 20.210 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 70.239 71.605 19.958 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 71.628 71.005 20.023 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 57.213 73.119 50.773 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 57.621 73.341 51.610 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 57.835 72.524 50.353 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 84.110 44.375 59.398 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 84.541 44.776 60.153 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 84.439 43.476 59.385 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 33.569 35.694 -14.397 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 34.347 35.138 -14.444 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 32.889 35.194 -14.847 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 88.147 55.630 -5.237 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 88.829 56.274 -5.048 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 88.026 55.160 -4.412 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 74.462 54.674 36.104 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 74.587 53.771 35.811 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 74.984 55.198 35.496 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 71.983 83.511 62.194 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 72.236 82.597 62.064 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 72.774 84.010 61.990 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 62.503 75.481 2.429 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 62.900 75.552 3.298 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 61.949 74.702 2.481 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 28.944 42.305 -6.114 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 29.696 42.734 -5.706 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 28.293 43.001 -6.209 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 42.535 0.676 21.385 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 42.319 0.429 20.486 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 42.639 -0.157 21.845 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 28.622 48.390 20.424 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 28.847 47.877 19.648 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 29.463 48.706 20.755 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 36.845 39.960 23.101 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 37.577 39.555 23.566 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 37.057 40.893 23.085 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 63.272 24.391 60.118 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 62.539 24.565 60.709 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 62.860 24.175 59.281 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 48.917 54.670 51.395 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 49.372 55.178 50.724 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 48.198 54.244 50.927 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 36.611 87.282 34.126 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 36.548 87.181 33.176 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 35.756 87.004 34.453 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 33.781 34.883 19.243 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 33.949 34.648 20.155 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 34.564 34.596 18.773 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 86.158 72.946 59.739 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 86.345 73.737 59.235 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 86.325 72.227 59.129 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 33.510 23.224 22.585 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 34.284 22.700 22.794 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 33.839 24.120 22.512 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 37.533 90.981 -12.104 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 37.065 91.051 -12.936 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 38.219 91.647 -12.157 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 89.493 43.657 13.313 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 89.893 44.129 14.043 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 89.183 44.344 12.723 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 81.250 50.001 27.750 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 80.470 49.688 27.292 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 81.088 50.933 27.892 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 86.468 64.595 45.472 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 85.942 63.907 45.064 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 85.849 65.077 46.021 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 53.040 48.267 59.381 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 52.707 48.247 58.484 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 53.957 48.528 59.291 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 47.858 50.727 55.715 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 48.771 51.011 55.758 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 47.832 50.114 54.980 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 79.907 33.502 -9.660 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 79.031 33.182 -9.442 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 80.453 32.716 -9.672 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 69.824 1.907 -13.738 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 70.081 2.493 -13.027 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 70.372 1.131 -13.619 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 68.501 26.232 0.794 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 68.151 26.835 0.138 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 68.341 26.668 1.631 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 83.766 53.760 -1.769 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 84.301 54.452 -2.158 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 83.614 53.143 -2.484 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 43.379 5.514 38.492 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 43.974 5.814 37.805 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 43.834 5.715 39.310 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 55.740 80.519 -9.534 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 54.791 80.615 -9.618 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 56.010 80.088 -10.346 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 74.009 77.251 6.019 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 73.244 76.788 6.362 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 74.726 76.992 6.597 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 54.851 6.755 48.063 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 55.191 7.633 48.232 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 55.260 6.206 48.732 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 86.504 35.012 54.635 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 86.561 34.262 55.228 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 87.415 35.230 54.436 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 69.638 85.803 55.219 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 70.145 85.259 54.615 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 69.813 85.429 56.083 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 30.214 59.775 51.416 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 30.393 60.502 50.819 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 29.358 59.445 51.144 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 90.162 6.620 37.020 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 90.324 5.677 37.010 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 90.189 6.878 36.099 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 72.720 95.755 49.085 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 72.265 95.389 49.843 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 72.738 95.042 48.448 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 63.310 65.061 62.361 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 64.218 65.002 62.659 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 63.372 65.085 61.406 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 83.305 35.712 -14.573 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 82.383 35.941 -14.694 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 83.761 36.173 -15.278 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 72.131 78.407 -4.244 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 71.919 77.947 -3.432 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 73.085 78.486 -4.232 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 31.038 2.910 14.167 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 30.689 2.359 13.465 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 31.879 2.511 14.389 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 35.798 68.307 7.254 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 36.355 68.735 7.905 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 36.402 67.782 6.729 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 54.891 67.478 17.807 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 55.277 67.017 17.063 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 54.015 67.725 17.508 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 49.029 56.888 -14.437 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 49.675 57.066 -15.121 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 48.774 57.753 -14.117 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 21.071 79.360 -18.507 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 21.730 79.006 -17.910 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 20.340 79.604 -17.940 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 25.736 64.626 8.093 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 25.143 65.346 8.312 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 26.009 64.805 7.193 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 45.769 40.079 27.454 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 46.250 40.167 26.631 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 45.647 39.136 27.561 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 74.864 25.882 -14.723 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 75.014 26.242 -15.598 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 75.452 26.380 -14.155 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 33.543 78.810 2.589 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 32.594 78.754 2.704 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 33.773 78.019 2.102 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 65.582 53.641 -6.828 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 65.611 54.338 -6.171 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 65.360 54.090 -7.644 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 48.628 83.357 -13.633 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 48.573 84.053 -12.978 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 48.680 82.550 -13.121 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 90.278 85.322 26.654 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 91.086 85.828 26.570 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 89.605 85.974 26.851 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 72.398 74.631 25.284 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 71.955 75.280 25.830 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 71.876 73.835 25.385 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 25.299 48.280 -19.445 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 25.324 47.557 -20.072 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 26.138 48.727 -19.560 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 45.583 31.710 55.461 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 45.006 32.406 55.146 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 46.286 32.170 55.918 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 85.569 80.417 -6.452 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 85.753 80.991 -5.709 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 84.639 80.549 -6.633 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 53.504 37.807 -14.106 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 52.915 37.803 -13.351 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 54.064 38.572 -13.969 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 88.380 45.277 -12.364 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 87.527 45.162 -11.944 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 88.493 46.226 -12.422 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 63.805 37.156 4.945 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 63.340 37.230 5.778 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 63.260 37.637 4.322 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 44.762 61.698 46.473 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 43.912 61.762 46.038 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 45.397 61.682 45.756 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 28.169 82.395 49.974 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 28.984 82.419 50.476 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 27.532 82.843 50.530 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 65.062 58.587 37.530 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 64.384 59.128 37.935 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 64.621 57.762 37.328 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 55.087 50.589 -9.035 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 54.718 49.757 -8.739 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 54.343 51.065 -9.404 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 32.257 82.317 54.470 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 31.902 82.096 53.610 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 33.198 82.418 54.323 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 71.807 35.563 9.249 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 71.953 36.102 10.026 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 70.868 35.380 9.256 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 68.995 57.344 48.447 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 68.478 56.539 48.428 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 68.864 57.734 47.582 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 25.334 51.211 15.464 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 25.600 51.100 14.551 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 25.928 51.877 15.809 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 81.158 82.171 35.204 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 80.969 81.332 34.784 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 80.704 82.818 34.664 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 22.562 86.025 12.444 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 23.249 86.341 13.031 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 22.921 86.150 11.565 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 21.248 83.777 46.379 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 21.929 83.117 46.510 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 21.721 84.609 46.366 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 21.020 48.484 41.759 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 21.571 48.758 41.026 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 20.135 48.449 41.395 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 81.990 50.445 33.624 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 82.582 50.398 32.874 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 81.520 51.271 33.508 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 73.315 25.568 51.452 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 74.085 26.108 51.277 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 72.633 25.932 50.888 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 47.610 90.255 -19.284 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 47.136 90.512 -18.493 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 46.927 89.966 -19.889 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 52.325 67.186 62.080 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 52.622 66.749 61.282 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 51.740 67.878 61.770 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 52.518 78.923 61.351 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 52.930 78.630 60.538 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 52.532 79.879 61.296 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 65.919 93.163 -16.354 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 66.300 93.203 -17.231 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 66.458 93.756 -15.831 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 32.402 65.922 41.799 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 33.186 65.909 41.250 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 31.947 65.107 41.587 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 81.169 65.366 64.098 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 80.423 65.041 63.593 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 81.601 64.577 64.425 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 39.391 47.881 54.609 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 39.529 48.782 54.899 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 39.505 47.354 55.400 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 53.346 10.258 47.197 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 52.754 10.642 47.844 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 54.050 9.870 47.716 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 50.254 96.224 52.681 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 50.772 95.850 53.394 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 50.340 97.170 52.793 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 77.876 13.978 -3.439 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 77.269 14.421 -4.032 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 77.529 14.154 -2.564 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 69.619 94.428 -5.824 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 69.574 94.890 -4.987 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 68.956 93.741 -5.755 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 72.097 41.666 55.708 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 71.158 41.671 55.895 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 72.470 42.287 56.334 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 78.854 88.607 18.186 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 78.842 87.664 18.027 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 78.345 88.723 18.988 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 58.078 71.863 39.456 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 57.845 71.544 38.584 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 57.251 71.874 39.938 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 71.931 82.438 0.856 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 72.412 82.121 0.092 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 71.240 82.991 0.493 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 90.297 26.798 -12.226 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 89.592 27.200 -11.719 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 91.024 27.418 -12.161 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 52.023 25.158 61.974 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 51.774 26.070 62.125 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 52.391 25.153 61.090 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 31.042 83.146 -14.024 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 30.812 84.006 -14.376 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 31.900 82.953 -14.402 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 64.143 51.954 38.295 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 63.628 52.417 38.956 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 63.513 51.738 37.608 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 30.193 24.446 -16.430 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 30.061 24.984 -17.210 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 30.670 25.014 -15.825 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 69.271 9.293 -1.145 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 69.017 9.979 -0.528 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 69.534 8.558 -0.591 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 85.386 1.183 -15.073 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 85.951 0.693 -15.670 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 85.143 0.549 -14.397 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 43.380 82.592 -8.757 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 43.909 81.856 -9.064 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 43.331 82.473 -7.808 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 29.748 76.042 22.209 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 29.395 76.606 21.520 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 28.978 75.745 22.693 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 37.424 7.568 -12.694 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 37.586 7.122 -13.525 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 38.293 7.829 -12.388 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 53.987 72.612 -7.484 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 53.197 72.071 -7.478 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 53.923 73.120 -8.293 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 90.119 62.570 6.594 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 90.155 62.059 7.402 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 90.685 62.096 5.985 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 41.839 47.928 -18.162 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 42.072 48.827 -18.394 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 42.665 47.446 -18.211 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 36.794 46.730 1.582 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 36.497 46.751 2.492 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 37.011 47.641 1.380 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 76.558 75.374 34.624 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 76.517 76.197 34.137 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 75.672 75.016 34.565 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 58.197 96.079 -11.094 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 57.696 95.284 -11.273 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 57.592 96.794 -11.293 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 79.778 68.706 11.201 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 80.702 68.484 11.087 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 79.552 68.352 12.062 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 40.651 82.903 -0.381 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 41.433 83.232 0.061 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 40.033 83.633 -0.351 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 21.429 72.306 -16.209 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 20.830 72.000 -15.528 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 21.730 73.159 -15.897 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 87.281 56.450 -16.020 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 86.376 56.241 -16.251 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 87.452 55.935 -15.231 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 21.090 17.331 35.913 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 20.179 17.204 35.647 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 21.154 18.265 36.111 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 65.911 6.364 39.751 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 65.523 6.483 40.618 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 66.827 6.616 39.862 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 47.140 81.082 54.631 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 46.605 81.579 55.249 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 47.915 81.627 54.491 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 23.687 78.562 45.853 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 23.450 78.681 46.772 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 24.554 78.158 45.878 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 61.041 65.522 63.427 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 61.767 65.132 62.939 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 61.444 66.225 63.936 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 68.041 48.141 -6.187 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 68.209 47.271 -5.825 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 67.087 48.209 -6.215 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 38.777 93.856 50.214 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 38.241 93.739 49.430 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 38.989 94.790 50.222 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 37.759 7.053 -8.125 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 37.143 6.342 -8.302 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 38.560 6.796 -8.582 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 23.951 70.765 -3.035 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 24.498 70.002 -2.851 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 24.558 71.418 -3.383 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 60.211 49.990 51.803 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 59.348 50.339 52.027 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 60.644 49.861 52.646 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 89.812 93.901 14.186 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 89.399 93.397 14.887 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 90.743 93.691 14.256 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 23.053 34.061 -11.323 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 23.012 33.287 -10.762 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 22.204 34.082 -11.765 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 34.025 83.404 -14.762 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 33.719 84.309 -14.698 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 34.449 83.354 -15.618 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 26.503 95.218 -5.190 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 27.424 95.332 -5.425 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 26.518 94.614 -4.448 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 87.306 7.308 -3.686 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 88.188 7.677 -3.641 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 86.853 7.675 -2.926 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 82.663 67.840 64.209 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 82.888 67.764 63.282 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 82.075 67.103 64.374 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 73.681 50.799 0.585 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 73.103 51.265 -0.019 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 73.087 50.329 1.171 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 23.988 88.884 31.720 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 23.385 89.612 31.865 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 24.123 88.869 30.772 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 31.470 10.931 -3.827 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 30.703 10.813 -4.386 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 31.357 11.800 -3.443 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 47.737 76.931 26.286 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 48.310 76.799 27.041 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 48.025 76.276 25.649 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 53.750 62.086 4.314 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 54.533 61.785 3.852 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 53.489 62.881 3.851 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 77.796 92.922 48.167 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 77.974 92.090 47.728 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 77.759 93.564 47.458 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 70.897 72.237 52.925 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 70.378 71.881 52.204 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 71.419 72.932 52.525 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 30.884 37.605 7.642 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 31.762 37.602 7.260 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 30.672 38.532 7.750 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 57.734 94.166 6.940 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 58.184 94.078 6.099 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 57.655 93.269 7.265 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 22.322 23.370 8.667 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 23.233 23.364 8.961 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 21.845 23.803 9.374 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 32.450 93.276 21.843 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 32.281 92.528 21.271 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 31.959 93.996 21.448 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 32.229 91.435 7.903 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 32.308 91.976 8.688 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 31.300 91.205 7.863 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 34.831 14.564 27.520 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 35.236 14.792 26.683 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 33.890 14.609 27.351 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 25.156 53.858 11.955 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 25.690 54.395 12.540 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 24.273 53.910 12.320 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 82.768 91.466 26.066 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 82.709 90.623 25.618 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 81.873 91.647 26.355 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 24.760 35.714 -9.876 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 25.054 36.385 -10.493 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 23.976 35.344 -10.281 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 31.843 45.488 -8.654 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 31.121 45.120 -9.164 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 31.428 46.136 -8.084 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 39.613 23.789 44.395 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 38.879 24.196 43.935 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 40.297 24.459 44.396 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 34.709 78.375 -16.201 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 34.749 77.450 -15.958 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 33.896 78.692 -15.808 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 45.207 80.891 43.448 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 45.562 81.701 43.814 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 44.303 80.863 43.761 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 34.274 5.681 28.871 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 33.776 4.941 28.522 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 33.614 6.353 29.043 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 24.212 42.025 -19.455 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 24.890 41.386 -19.234 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 23.903 41.759 -20.321 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 77.987 81.026 -9.692 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 78.064 80.211 -10.188 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 77.194 81.440 -10.033 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 68.283 78.639 58.829 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 68.995 79.111 59.260 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 68.642 78.388 57.978 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 52.193 12.403 39.879 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 51.982 11.871 40.646 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 51.365 12.479 39.403 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 38.198 33.141 -14.935 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 38.102 32.407 -14.327 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 38.852 32.844 -15.568 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 62.701 19.659 40.497 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 62.074 18.956 40.671 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 62.551 19.892 39.581 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 26.630 59.639 40.878 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 27.007 60.519 40.888 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 25.717 59.767 41.137 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 47.323 3.039 39.306 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 47.085 2.332 39.906 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 48.257 2.911 39.142 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 85.132 54.998 48.216 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 85.028 54.201 48.736 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 85.979 54.893 47.782 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 28.507 54.665 -6.423 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 27.754 54.418 -6.959 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 28.174 55.347 -5.840 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 67.854 44.853 22.925 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 68.456 45.505 23.284 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 67.136 44.815 23.557 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 51.813 74.758 -18.866 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 52.736 74.884 -18.649 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 51.593 73.904 -18.493 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 51.100 10.603 41.832 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 50.447 10.243 42.432 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 51.941 10.338 42.204 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 82.331 5.237 -14.944 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 82.162 4.815 -14.101 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 83.237 5.006 -15.150 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 75.841 64.351 10.827 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 74.985 64.674 10.546 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 76.385 65.136 10.891 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 64.141 25.661 36.853 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 65.042 25.369 36.710 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 63.818 25.880 35.979 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 63.889 27.515 14.313 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 63.480 28.379 14.264 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 64.161 27.327 13.415 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 24.600 39.424 65.837 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 25.176 39.942 65.275 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 23.734 39.814 65.716 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 86.772 24.511 46.195 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 87.140 24.165 47.008 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 86.643 23.740 45.643 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 57.921 72.431 0.258 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 57.241 72.774 0.838 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 58.308 71.704 0.746 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 80.973 78.580 52.934 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 80.207 78.012 53.024 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 81.091 78.963 53.803 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 47.577 76.813 7.235 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 48.481 77.023 7.472 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 47.656 76.117 6.583 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 66.356 84.822 7.933 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 65.406 84.715 7.893 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 66.490 85.769 7.959 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 40.936 88.564 49.950 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 41.339 88.081 49.229 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 41.672 88.842 50.494 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 77.901 8.610 37.584 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 76.959 8.442 37.551 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 78.182 8.583 36.669 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 30.453 41.329 33.059 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 30.493 41.057 33.976 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 31.285 41.038 32.687 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 72.890 18.432 33.247 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 72.739 18.640 32.325 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 73.291 19.223 33.609 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 72.860 68.414 -15.759 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 73.053 68.990 -15.019 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 71.907 68.332 -15.759 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 57.512 1.714 32.992 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 57.008 0.928 33.202 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 58.274 1.389 32.511 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 21.314 37.591 9.138 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 22.150 37.879 8.772 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 20.726 38.336 9.011 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 38.648 8.397 63.111 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 38.095 8.491 62.335 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 39.468 8.032 62.778 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 21.141 56.378 38.071 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 21.745 56.865 38.630 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 20.339 56.306 38.588 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 43.937 91.737 -19.389 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 44.470 91.347 -18.696 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 43.479 90.997 -19.786 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 63.494 23.111 47.455 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 64.136 23.510 46.868 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 62.775 22.847 46.881 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 47.943 68.205 0.470 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 47.403 67.977 1.227 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 48.768 68.511 0.847 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 34.188 58.314 -6.204 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 33.695 58.100 -5.412 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 34.201 59.271 -6.227 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 52.397 71.580 -9.751 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 52.006 71.300 -8.923 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 51.993 71.016 -10.410 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 72.818 91.807 50.009 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 73.772 91.838 49.944 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 72.540 91.328 49.228 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 66.347 41.952 39.542 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 66.916 41.826 38.783 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 66.731 41.401 40.224 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 54.397 2.417 0.604 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 54.716 3.319 0.628 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 53.964 2.293 1.449 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 23.378 10.663 -13.996 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 23.968 11.369 -14.259 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 23.632 9.921 -14.545 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 29.113 95.202 -3.306 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 28.619 95.989 -3.077 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 28.800 94.535 -2.696 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 84.273 41.600 13.307 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 84.970 41.239 12.758 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 84.268 41.043 14.085 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 55.431 44.332 54.758 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 55.779 44.895 55.450 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 54.694 44.824 54.397 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 26.656 70.982 -5.226 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 27.332 70.712 -4.604 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 26.690 70.322 -5.919 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 57.988 85.367 -3.051 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 57.412 84.616 -2.908 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 57.577 85.852 -3.767 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 33.295 95.303 -19.745 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 32.796 95.967 -20.220 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 33.656 95.768 -18.991 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 88.385 68.901 -13.081 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 88.187 69.511 -12.371 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 87.573 68.847 -13.585 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 85.843 65.740 -7.872 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 84.975 65.380 -8.059 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 85.768 66.670 -8.086 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 74.753 6.553 50.328 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 75.335 6.086 49.729 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 73.940 6.663 49.835 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 68.446 75.817 42.777 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 68.640 76.288 41.967 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 69.235 75.917 43.308 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 26.263 54.988 26.470 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 27.202 54.809 26.522 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 26.166 55.540 25.695 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 87.914 32.035 -14.325 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 87.714 32.849 -13.863 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 87.897 32.275 -15.252 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 82.606 78.705 -8.924 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 82.628 79.171 -8.088 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 81.727 78.328 -8.966 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 73.362 75.744 10.492 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 73.501 75.033 9.867 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 72.412 75.851 10.527 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 68.365 75.665 24.078 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 68.237 74.943 23.464 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 68.457 75.241 24.932 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 63.227 16.082 11.641 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 62.390 16.061 11.177 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 63.192 15.332 12.235 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 43.259 33.032 54.160 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 42.400 33.002 54.582 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 43.163 32.481 53.383 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 40.332 41.159 42.490 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 39.576 41.715 42.303 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 40.071 40.289 42.190 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 29.645 17.549 67.128 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 29.019 16.835 67.007 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 29.124 18.345 67.020 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 30.567 1.563 -12.914 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 31.425 1.377 -13.295 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 29.979 1.629 -13.666 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 51.434 75.644 55.273 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 51.322 75.383 56.187 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 51.793 76.530 55.318 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 72.817 25.340 62.817 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 73.564 24.751 62.710 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 72.843 25.904 62.045 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 49.202 24.641 50.789 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 49.397 23.743 51.056 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 49.149 24.601 49.834 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 59.434 55.400 -16.514 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 58.501 55.357 -16.726 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 59.499 56.097 -15.860 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 86.458 21.146 -13.617 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 86.029 21.936 -13.289 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 85.738 20.568 -13.870 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 42.184 54.950 -16.341 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 41.950 54.381 -17.074 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 41.460 54.854 -15.722 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 66.999 56.549 51.329 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 66.095 56.513 51.018 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 67.308 55.645 51.276 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 50.027 61.825 49.716 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 49.270 62.327 49.412 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 50.152 61.151 49.049 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 28.293 72.028 37.783 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 28.870 71.897 38.535 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 28.053 72.954 37.823 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 65.133 62.131 62.747 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 65.481 61.610 62.024 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 65.564 62.981 62.660 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 52.428 3.398 32.038 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 51.717 4.022 31.888 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 52.767 3.624 32.904 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 60.514 31.290 6.683 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 60.444 32.244 6.700 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 61.042 31.074 7.452 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 25.042 55.168 65.841 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 24.219 55.047 66.315 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 24.850 55.851 65.198 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 25.682 90.356 58.491 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 25.023 91.019 58.697 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 25.343 89.915 57.712 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 82.285 80.122 -13.766 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 81.567 79.797 -14.309 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 81.888 80.268 -12.907 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 32.312 45.737 2.560 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 32.002 44.839 2.439 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 32.997 45.845 1.900 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 45.662 15.617 -7.719 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 46.363 14.966 -7.739 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 46.114 16.458 -7.794 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 42.804 44.835 34.394 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 42.346 44.687 33.567 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 42.913 45.784 34.442 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 54.513 86.075 47.905 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 54.993 86.561 47.234 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 54.266 86.738 48.551 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 88.327 72.928 -16.623 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 88.153 73.665 -16.037 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 88.275 72.156 -16.059 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 68.127 62.370 -1.693 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 67.232 62.683 -1.560 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 68.401 62.054 -0.832 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 42.265 60.709 49.151 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 41.535 61.187 49.545 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 42.966 61.357 49.081 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 83.415 38.383 56.435 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 83.537 39.261 56.074 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 82.656 38.464 57.013 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 24.336 56.602 1.370 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 25.209 56.225 1.472 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 23.738 55.880 1.561 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 72.015 43.421 48.566 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 72.665 43.644 49.232 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 72.446 43.615 47.734 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 65.531 39.531 8.726 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 65.486 39.942 9.589 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 64.621 39.320 8.514 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 33.821 32.039 2.077 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 33.376 31.382 2.612 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 33.215 32.779 2.052 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 67.000 83.082 21.546 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 66.502 82.681 20.834 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 66.885 84.024 21.419 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 63.203 49.284 -14.975 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 63.213 49.932 -14.271 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 62.795 48.511 -14.584 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 21.332 4.609 -16.142 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 21.020 4.602 -15.237 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 20.608 4.239 -16.647 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 37.661 36.807 -4.080 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 38.153 36.856 -3.261 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 38.007 36.031 -4.522 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 43.994 50.861 65.274 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 43.912 51.711 64.841 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 44.905 50.605 65.130 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 43.515 86.169 20.365 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 42.712 85.680 20.189 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 44.059 86.022 19.591 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 79.022 59.024 -17.785 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 78.798 58.927 -16.859 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 78.905 59.957 -17.964 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 29.233 91.961 67.222 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 29.316 91.073 66.877 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 30.059 92.386 66.990 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 85.229 13.169 -12.069 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 86.162 13.376 -12.131 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 84.827 13.651 -12.792 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 35.030 69.582 55.137 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 34.944 70.331 54.547 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 34.136 69.403 55.428 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 66.648 40.185 61.143 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 66.549 39.247 61.305 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 65.782 40.552 61.319 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 51.695 89.904 52.201 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 52.325 89.299 51.810 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 50.905 89.805 51.669 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 31.667 8.489 3.673 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 32.294 7.765 3.680 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 31.692 8.836 4.565 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 47.952 40.512 29.674 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 47.427 40.476 28.874 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 48.644 41.144 29.479 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 67.767 40.999 -5.592 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 67.282 41.635 -6.119 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 68.601 41.429 -5.405 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 87.318 62.173 51.584 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 87.102 63.079 51.360 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 88.213 62.217 51.920 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 77.237 3.801 11.814 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 77.590 2.912 11.784 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 77.741 4.282 11.158 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 82.871 51.798 -3.669 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 83.718 51.732 -4.110 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 82.385 52.446 -4.179 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 56.114 72.789 2.134 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 55.288 73.010 2.564 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 56.543 72.180 2.735 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 77.764 27.675 4.035 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 77.673 28.412 4.639 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 77.797 26.903 4.600 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 74.242 20.998 -17.162 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 74.844 21.729 -17.302 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 74.389 20.419 -17.910 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 47.720 59.721 -15.480 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 47.641 59.600 -14.533 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 48.570 60.146 -15.597 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 66.558 94.115 -7.522 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 66.858 94.834 -6.966 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 66.819 93.324 -7.052 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 25.821 78.886 12.202 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 25.137 79.130 12.824 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 26.602 79.346 12.511 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 75.562 80.879 51.377 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 74.902 81.104 52.033 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 76.232 80.400 51.865 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 84.852 78.395 29.164 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 85.420 77.692 29.480 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 83.976 78.012 29.157 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 34.503 75.254 3.130 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 34.196 75.963 3.695 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 34.572 75.653 2.262 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 32.464 60.348 43.311 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 32.920 59.953 44.053 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 33.065 60.239 42.574 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 36.984 56.632 31.983 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 36.973 57.549 32.258 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 37.787 56.546 31.469 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 37.643 63.033 34.340 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 38.108 63.230 35.153 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 38.286 63.198 33.650 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 27.245 82.856 39.318 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 27.176 83.799 39.467 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 26.351 82.578 39.118 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 40.611 79.442 -16.206 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 40.648 78.782 -16.898 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 41.154 79.084 -15.503 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 26.416 94.173 3.125 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 25.951 93.688 2.443 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 26.019 95.044 3.113 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 86.495 40.181 -7.934 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 86.248 39.762 -7.109 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 86.802 41.050 -7.678 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 45.969 77.957 -19.892 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 46.651 77.294 -19.786 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 46.236 78.670 -19.313 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 60.743 34.340 16.896 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 60.008 34.922 17.090 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 60.342 33.577 16.480 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 33.923 78.489 35.136 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 34.490 77.736 34.970 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 33.527 78.684 34.287 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 57.326 48.652 56.200 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 56.628 48.693 55.545 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 57.763 49.501 56.139 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 41.781 91.240 25.087 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 41.677 91.383 24.147 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 41.133 91.818 25.491 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 44.815 26.511 30.902 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 45.214 26.805 30.083 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 44.956 25.564 30.912 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 67.529 92.489 24.177 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 68.377 92.419 24.615 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 67.735 92.440 23.244 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 35.163 55.412 -3.965 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 34.512 56.096 -3.806 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 34.940 54.719 -3.342 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 55.942 83.065 65.439 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 55.898 84.002 65.247 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 55.641 82.991 66.344 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 78.025 12.066 42.327 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 78.395 12.894 42.020 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 77.586 11.700 41.559 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 24.911 32.260 49.450 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 24.574 32.399 48.565 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 25.612 32.905 49.544 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 43.106 2.418 10.719 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 42.475 2.438 11.439 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 43.543 1.571 10.807 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 44.753 69.890 -11.303 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 44.934 70.516 -10.602 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 43.929 69.475 -11.048 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 50.194 92.096 65.289 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 49.623 91.624 64.683 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 50.596 91.411 65.823 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 51.204 5.796 36.165 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 51.424 4.865 36.202 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 52.031 6.231 35.960 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 26.822 25.395 -0.627 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 27.634 25.031 -0.274 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 27.088 25.834 -1.435 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 36.217 94.864 37.681 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 37.062 94.580 37.333 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 35.633 94.867 36.922 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 68.704 3.359 -15.887 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 67.751 3.285 -15.936 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 68.972 2.637 -15.318 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 37.302 0.711 44.206 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 37.150 0.369 43.325 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 36.426 0.856 44.562 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 47.151 43.598 -12.362 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 47.802 43.837 -11.703 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 47.652 43.506 -13.173 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 48.780 73.422 -18.321 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 48.532 73.087 -17.460 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 49.196 72.678 -18.757 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 44.198 94.803 -0.408 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 44.241 95.157 0.480 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 43.452 95.249 -0.808 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 25.185 81.496 -19.684 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 25.170 80.846 -20.386 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 24.742 81.068 -18.952 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 27.472 72.583 31.271 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 27.615 72.373 30.348 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 28.086 73.293 31.454 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 54.807 5.678 23.844 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 54.047 5.099 23.785 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 54.736 6.246 23.077 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 61.608 4.529 0.452 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 62.243 4.721 -0.238 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 61.710 3.592 0.618 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 35.809 94.091 34.677 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 35.300 93.324 34.939 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 36.443 93.754 34.044 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 71.836 86.843 60.514 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 72.480 87.244 61.097 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 71.180 86.468 61.102 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 55.645 91.301 33.638 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 54.736 91.003 33.653 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 55.950 91.187 34.538 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 32.026 82.251 48.930 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 31.233 82.575 48.502 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 32.737 82.497 48.338 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 32.408 72.181 47.853 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 32.424 71.550 47.134 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 33.219 72.680 47.753 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 76.781 43.155 47.731 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 76.318 42.716 47.018 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 76.404 42.781 48.528 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 28.532 81.374 8.457 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 29.011 81.228 9.272 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 28.179 80.514 8.228 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 62.971 4.714 3.135 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 62.641 3.939 3.589 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 62.196 5.104 2.730 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 35.873 90.761 66.705 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 35.213 91.421 66.494 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 36.667 91.067 66.265 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 79.092 87.130 48.498 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 79.384 86.221 48.574 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 79.536 87.586 49.213 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 89.061 83.884 30.657 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 89.956 83.686 30.936 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 88.940 83.370 29.859 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 55.393 32.894 -12.210 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 55.313 32.819 -13.161 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 55.033 33.756 -12.005 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 77.766 96.185 14.624 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 78.616 96.487 14.303 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 77.968 95.720 15.436 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 25.187 13.362 55.423 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 24.965 12.819 54.666 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 26.113 13.573 55.304 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 37.472 42.319 18.576 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 38.247 42.068 19.079 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 37.735 43.114 18.111 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 39.856 88.304 36.961 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 40.737 88.677 36.929 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 39.861 87.744 37.738 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 35.303 87.009 -6.241 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 35.843 86.296 -5.899 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 34.424 86.635 -6.303 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 29.351 14.851 -15.266 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 29.096 14.609 -16.157 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 30.083 14.271 -15.060 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 67.368 65.921 37.996 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 67.807 65.078 37.888 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 67.031 66.130 37.124 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 89.854 28.557 63.760 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 89.571 29.106 64.492 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 90.727 28.882 63.541 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 77.477 89.284 20.474 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 76.567 89.013 20.594 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 77.583 90.036 21.057 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 76.573 70.634 27.216 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 76.246 69.747 27.370 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 76.620 70.711 26.263 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 57.323 2.461 7.541 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 56.682 2.915 8.088 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 58.020 3.103 7.406 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 68.026 50.197 32.356 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 67.736 50.341 31.455 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 67.225 49.989 32.836 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 76.639 28.309 64.313 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 75.934 28.923 64.107 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 76.210 27.605 64.800 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 72.935 30.888 5.512 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 72.677 31.014 6.425 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 73.704 30.320 5.557 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 22.598 10.623 53.134 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 23.297 10.054 53.457 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 22.982 11.499 53.135 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 57.194 94.166 2.162 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 56.363 93.752 2.396 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 57.859 93.634 2.599 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 31.741 72.241 35.368 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 31.462 71.325 35.382 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 32.683 72.202 35.201 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 78.428 76.322 54.393 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 78.058 77.083 54.840 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 77.670 75.865 54.029 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 52.870 88.215 45.714 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 52.777 88.101 44.768 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 51.994 88.051 46.063 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 84.755 25.743 37.766 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 83.848 25.836 37.476 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 84.726 25.056 38.431 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 32.891 9.130 45.716 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 33.597 8.569 46.037 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 33.271 10.009 45.701 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 68.815 21.077 -13.922 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 69.011 21.372 -13.033 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 68.865 20.122 -13.874 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 27.848 45.497 11.964 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 27.633 46.383 11.675 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 27.321 45.366 12.752 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 82.845 31.790 25.437 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 82.920 30.934 25.858 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 82.221 32.271 25.979 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 28.564 89.855 17.420 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 29.010 90.697 17.509 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 27.972 89.816 18.171 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 55.423 21.106 30.826 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 55.751 20.251 31.105 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 55.498 21.092 29.872 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 64.310 27.228 -18.603 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 63.665 27.849 -18.941 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 63.790 26.484 -18.297 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 23.840 57.380 27.371 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 24.133 58.283 27.493 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 22.960 57.360 27.747 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 61.336 28.197 -19.510 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 60.939 28.955 -19.082 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 60.953 27.442 -19.064 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 53.849 24.122 -8.219 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 53.423 24.924 -7.917 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 54.094 23.663 -7.415 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 82.962 53.613 18.011 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 83.259 52.708 18.100 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 82.510 53.636 17.168 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 24.996 79.527 20.420 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 24.567 79.051 19.709 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 24.861 78.978 21.193 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 25.432 35.901 63.992 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 25.215 36.490 64.715 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 26.099 36.371 63.492 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 60.723 10.566 -1.227 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 60.381 11.370 -0.836 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 61.583 10.450 -0.824 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 31.692 62.853 65.037 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 31.707 62.381 65.870 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 31.733 62.166 64.371 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 71.244 49.455 36.612 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 70.442 49.051 36.946 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 70.969 49.913 35.818 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 58.775 8.873 42.762 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 58.599 8.039 43.196 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 59.058 8.630 41.880 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 38.518 44.904 19.837 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 39.264 45.130 19.281 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 38.861 44.946 20.729 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 25.141 93.650 46.838 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 25.930 93.187 46.557 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 25.288 93.836 47.765 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 60.676 54.254 20.484 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 61.143 53.966 19.700 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 59.985 54.828 20.154 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 39.715 76.029 23.332 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 39.138 75.371 23.719 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 40.512 75.548 23.107 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 84.956 81.373 46.084 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 85.413 82.145 45.751 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 84.659 80.913 45.299 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 38.924 78.057 32.973 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 39.565 77.753 33.615 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 39.425 78.617 32.380 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 90.238 90.628 26.808 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 89.736 91.257 26.290 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 90.656 91.157 27.488 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 41.299 18.827 66.412 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 41.163 19.618 65.891 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 40.494 18.321 66.295 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 30.961 81.782 2.140 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 30.631 81.489 2.989 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 31.910 81.673 2.201 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 34.906 82.112 53.707 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 35.171 82.604 52.930 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 35.722 81.957 54.183 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 46.561 57.547 2.296 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 47.504 57.682 2.382 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 46.373 56.797 2.860 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 64.051 3.494 25.664 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 64.428 4.342 25.900 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 64.181 2.949 26.440 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 59.281 61.277 43.120 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 59.551 62.177 42.938 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 58.615 61.088 42.459 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 32.062 6.616 21.124 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 31.134 6.436 20.973 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 32.072 7.460 21.576 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 82.729 44.606 2.653 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 81.909 45.071 2.820 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 82.844 44.042 3.418 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 66.816 32.562 8.629 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 67.726 32.798 8.809 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 66.683 32.803 7.712 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 38.417 7.668 -2.276 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 38.050 8.254 -2.938 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 37.672 7.146 -1.978 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 80.239 18.554 -19.111 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 80.955 17.995 -19.413 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 80.040 18.235 -18.231 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 56.651 91.755 -5.777 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 57.599 91.618 -5.797 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 56.511 92.353 -5.044 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 84.878 67.884 -12.442 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 85.179 67.460 -11.638 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 84.431 68.676 -12.143 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 86.696 87.418 60.463 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 86.151 87.022 61.142 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 87.372 86.764 60.286 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 55.751 8.683 60.471 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 54.796 8.639 60.526 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 55.990 7.982 59.865 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 88.053 66.453 63.712 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 88.283 65.528 63.625 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 88.285 66.674 64.614 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 63.646 75.302 26.688 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 63.480 74.790 27.480 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 62.939 75.057 26.091 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 68.571 76.857 13.762 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 68.084 76.055 13.950 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 68.097 77.542 14.233 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 62.788 56.015 52.837 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 62.122 55.352 53.018 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 63.389 55.591 52.224 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 85.696 22.067 33.089 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 86.245 21.707 33.786 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 86.239 22.741 32.680 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 76.482 59.202 -9.676 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 75.643 59.367 -10.106 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 76.813 60.073 -9.455 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 66.526 39.286 21.695 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 66.303 40.207 21.555 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 65.680 38.843 21.767 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 66.158 9.935 43.605 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 66.042 10.308 42.731 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 65.409 9.350 43.718 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 46.237 80.844 15.109 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 46.252 79.917 14.868 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 45.308 81.047 15.220 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 76.587 58.809 -12.780 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 77.288 58.803 -12.129 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 76.066 59.582 -12.565 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 35.797 38.457 -5.325 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 35.868 39.368 -5.041 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 36.446 37.991 -4.798 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 85.597 39.738 17.873 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 86.109 39.880 17.077 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 85.334 40.616 18.149 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 88.969 41.964 43.904 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 88.724 42.716 43.365 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 89.534 42.330 44.584 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 34.358 90.133 55.108 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 35.298 90.311 55.129 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 34.110 90.257 54.192 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 32.899 36.000 25.298 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 33.677 36.393 24.902 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 32.740 35.210 24.782 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 88.380 63.032 31.066 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 88.287 62.108 31.297 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 87.696 63.186 30.413 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 77.090 57.115 40.648 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 77.489 57.948 40.396 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 76.358 57.006 40.041 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 73.757 51.840 -4.744 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 72.939 51.415 -5.000 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 73.513 52.410 -4.014 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 48.295 82.817 57.610 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 48.243 83.601 58.156 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 49.233 82.658 57.506 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 51.467 2.507 -9.483 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 51.690 1.577 -9.434 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 50.513 2.521 -9.563 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 84.341 80.010 14.936 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 84.160 80.890 14.608 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 83.713 79.884 15.648 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 24.902 86.946 13.203 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 25.209 87.304 14.036 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 25.635 87.075 12.601 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 30.105 63.655 53.207 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 30.966 64.070 53.257 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 29.939 63.338 54.095 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 48.015 91.346 54.933 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 47.496 91.271 54.132 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 47.528 90.839 55.583 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 82.035 66.541 15.774 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 82.106 67.149 16.509 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 82.934 66.255 15.611 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 38.373 55.624 -1.421 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 38.535 56.208 -2.162 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 38.608 56.143 -0.651 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 37.660 75.318 54.988 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 38.194 76.095 55.154 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 38.253 74.583 55.145 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 66.073 33.977 21.729 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 65.686 33.233 22.191 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 65.350 34.349 21.225 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 67.252 65.770 -0.549 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 66.721 66.535 -0.767 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 67.628 65.974 0.308 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 82.784 49.898 38.278 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 82.170 49.979 39.009 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 82.410 50.446 37.589 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 69.981 17.041 50.043 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 70.129 17.834 49.529 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 70.389 17.223 50.890 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 69.101 70.218 -16.045 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 69.705 69.758 -15.461 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 68.599 69.521 -16.468 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 65.284 54.281 25.247 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 64.449 53.910 25.533 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 65.050 55.120 24.850 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 31.861 37.908 3.637 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 32.439 37.273 3.213 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 30.987 37.688 3.317 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 44.072 7.320 -13.695 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 43.503 7.042 -12.977 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 43.973 8.271 -13.725 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 22.543 89.880 20.338 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 21.708 89.808 19.875 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 23.100 90.391 19.750 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 80.933 57.882 39.534 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 81.005 58.776 39.869 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 80.600 57.985 38.642 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 77.453 32.241 -8.805 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 77.390 31.356 -8.444 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 77.212 32.815 -8.078 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 37.250 51.512 -2.272 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 38.005 51.504 -2.862 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 37.302 50.679 -1.805 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 70.684 58.213 22.002 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 69.986 58.838 21.807 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 70.541 57.970 22.917 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 61.853 53.480 39.718 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 61.106 53.386 40.309 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 61.508 53.969 38.971 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 52.553 47.315 -15.711 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 53.347 47.598 -16.166 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 52.817 46.528 -15.236 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 90.181 82.694 63.756 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 90.101 82.833 62.812 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 91.076 82.963 63.963 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 69.768 0.834 50.430 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 70.621 0.408 50.516 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 69.139 0.112 50.416 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 28.366 46.231 55.726 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 29.009 46.757 56.201 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 28.643 46.282 54.811 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 39.167 86.636 66.794 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 38.609 87.160 67.369 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 38.601 85.927 66.491 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 89.016 49.977 -9.316 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 88.977 50.150 -10.257 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 89.919 49.699 -9.160 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 53.147 70.709 56.129 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 52.629 71.067 56.850 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 52.518 70.213 55.605 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 63.438 23.962 50.003 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 63.846 23.877 49.141 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 62.795 24.663 49.896 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 34.756 69.174 3.645 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 34.664 69.677 4.455 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 33.904 68.754 3.526 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 40.721 80.710 -11.668 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 40.865 81.468 -11.101 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 41.171 79.990 -11.226 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 66.142 30.176 45.512 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 65.378 29.959 46.047 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 65.779 30.394 44.653 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 72.546 50.198 61.550 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 71.802 50.699 61.216 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 73.204 50.255 60.858 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 39.940 65.091 47.807 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 40.718 65.358 47.317 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 40.237 65.033 48.715 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 43.634 64.320 40.345 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 43.022 65.032 40.529 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 44.426 64.551 40.829 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 50.554 59.487 47.337 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 49.739 59.892 47.040 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 51.105 59.455 46.555 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 66.797 86.128 -16.453 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 66.554 87.004 -16.755 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 66.454 85.539 -17.125 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 88.943 90.915 57.626 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 89.619 91.574 57.784 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 89.150 90.561 56.762 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 44.225 44.553 58.245 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 43.790 45.357 57.961 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 43.606 44.147 58.852 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 23.375 46.133 38.193 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 23.566 45.362 38.727 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 24.200 46.326 37.747 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 81.823 79.210 43.052 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 81.507 78.389 42.674 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 81.944 79.789 42.299 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 88.390 87.080 16.364 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 89.090 87.022 17.014 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 88.309 86.191 16.018 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 37.536 53.671 66.592 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 36.712 53.310 66.919 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 38.187 52.997 66.787 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 56.527 69.133 53.652 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 56.898 68.251 53.644 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 55.590 68.998 53.793 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 74.026 78.496 62.895 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 73.859 78.133 63.765 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 74.980 78.550 62.837 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 75.246 64.883 7.149 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 75.876 64.387 7.672 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 75.747 65.625 6.809 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 54.546 55.004 -9.248 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 54.475 54.546 -8.411 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 53.718 55.476 -9.335 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 43.226 93.355 65.461 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 43.926 93.920 65.135 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 43.612 92.903 66.211 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 42.085 48.375 31.513 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 41.560 48.615 32.277 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 41.448 48.274 30.806 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 22.611 10.714 45.562 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 22.751 10.542 44.631 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 21.663 10.809 45.650 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 85.868 79.162 -17.323 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 85.782 78.310 -16.896 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 85.402 79.768 -16.747 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 22.943 64.633 -12.201 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 22.762 64.938 -13.090 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 23.893 64.712 -12.109 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 60.512 27.691 28.069 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 59.989 28.001 27.330 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 60.387 28.356 28.747 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 34.562 26.530 43.619 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 34.940 26.042 42.887 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 35.055 26.234 44.385 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 68.329 69.145 -6.595 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 67.659 68.781 -6.017 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 67.838 69.528 -7.322 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 79.944 92.166 52.025 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 80.313 92.984 51.691 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 79.154 92.029 51.502 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 22.199 17.101 2.504 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 23.126 17.219 2.711 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 21.908 17.963 2.207 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 65.207 82.561 19.222 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 64.845 81.992 18.543 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 64.504 82.643 19.866 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 40.708 38.671 64.389 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 41.449 38.070 64.476 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 40.930 39.217 63.635 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 76.520 93.700 22.795 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 76.951 94.274 22.161 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 75.724 94.171 23.043 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 40.852 15.332 38.972 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 41.284 16.088 38.574 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 41.434 14.596 38.781 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 24.744 58.021 65.715 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 24.653 57.468 66.491 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 23.845 58.179 65.426 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 89.207 43.434 4.176 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 88.990 42.739 3.554 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 90.133 43.298 4.375 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 38.969 88.415 59.531 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 38.025 88.263 59.578 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 39.292 87.734 58.941 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 36.126 81.589 -13.798 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 35.501 82.288 -13.992 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 36.697 81.957 -13.125 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 77.017 35.945 63.187 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 77.652 36.603 62.904 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 76.280 36.453 63.525 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 61.764 34.669 -11.865 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 61.017 34.874 -11.302 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 62.294 34.061 -11.349 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 89.263 11.951 49.894 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 89.443 11.735 50.808 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 89.991 12.515 49.632 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 88.317 69.570 64.494 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 87.368 69.647 64.596 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 88.550 68.788 64.995 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 83.356 96.094 16.519 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 83.711 96.729 17.141 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 83.438 96.522 15.666 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 45.717 31.607 49.541 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 45.439 30.879 50.097 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 46.548 31.894 49.919 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 69.678 64.747 30.673 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 69.010 64.548 30.017 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 69.990 63.891 30.966 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 86.137 47.399 58.032 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 86.179 47.046 58.920 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 85.283 47.119 57.702 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 83.520 71.719 -3.233 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 83.230 71.373 -4.077 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 83.692 70.942 -2.701 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 75.645 67.117 -1.442 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 75.357 66.211 -1.549 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 76.512 67.142 -1.848 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 60.194 81.320 12.184 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 60.032 80.590 12.781 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 60.648 80.925 11.439 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 56.653 76.681 62.769 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 56.457 77.435 63.326 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 57.467 76.917 62.325 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 22.606 74.656 65.139 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 23.152 75.405 65.380 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 21.829 75.045 64.737 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 44.518 26.556 4.510 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 45.327 26.740 4.034 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 43.839 27.015 4.016 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 26.424 60.473 13.688 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 25.894 61.269 13.668 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 26.576 60.308 14.618 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 87.749 50.934 58.810 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 88.410 51.469 59.249 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 86.914 51.319 59.074 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 23.776 82.082 45.428 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 24.730 82.070 45.356 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 23.478 81.460 44.764 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 62.816 45.220 56.662 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 61.928 45.311 56.315 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 62.896 44.290 56.874 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 33.613 74.064 13.202 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 33.880 74.050 12.283 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 34.102 73.345 13.604 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 31.542 76.077 19.519 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 32.271 76.066 18.898 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 31.446 75.164 19.791 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 27.450 67.687 59.576 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 27.378 67.445 58.652 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 26.781 67.161 60.014 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 85.095 42.609 18.300 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 84.325 43.075 18.625 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 85.257 42.986 17.435 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 85.046 51.849 59.244 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 84.807 52.641 59.725 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 84.299 51.683 58.669 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 28.841 16.075 -10.949 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 28.745 16.578 -10.141 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 27.945 15.844 -11.196 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 46.831 22.013 53.809 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 47.426 21.292 53.602 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 47.397 22.784 53.860 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 25.029 61.539 41.854 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 25.921 61.845 41.693 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 24.513 62.340 41.947 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 67.246 93.447 64.712 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 66.607 92.876 64.284 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 66.874 94.325 64.634 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 25.145 73.043 -4.181 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 25.733 72.438 -4.634 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 25.605 73.262 -3.371 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 44.703 95.343 31.138 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 45.373 95.397 30.457 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 45.156 95.596 31.942 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 30.532 81.189 -9.636 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 31.145 81.057 -8.913 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 30.496 82.139 -9.749 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 85.794 75.355 16.890 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 86.331 74.676 17.300 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 86.179 76.178 17.190 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 69.911 61.399 52.142 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 69.829 61.916 51.340 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 69.401 60.608 51.972 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 39.408 9.789 57.851 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 40.243 9.464 58.188 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 38.752 9.429 58.447 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 65.467 76.144 -12.131 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 65.290 75.220 -12.307 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 66.410 76.237 -12.263 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 49.290 67.524 -17.395 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 48.591 68.130 -17.150 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 49.850 67.477 -16.620 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 22.695 72.949 -5.537 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 22.417 72.059 -5.319 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 23.577 73.021 -5.172 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 45.007 89.821 -2.611 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 45.522 89.193 -2.106 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 44.363 90.159 -1.989 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 29.026 96.237 50.197 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 29.913 96.564 50.349 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 29.117 95.630 49.462 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 46.016 64.801 -5.851 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 46.385 65.507 -5.321 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 45.792 64.118 -5.218 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 34.592 83.892 38.613 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 33.957 83.350 39.081 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 35.108 83.270 38.100 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 29.977 44.138 -2.786 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 30.322 44.336 -1.916 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 29.062 43.903 -2.633 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 42.062 81.533 5.526 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 41.268 82.057 5.424 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 42.777 82.147 5.361 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 85.436 77.868 57.713 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 85.887 78.490 57.143 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 85.850 77.982 58.568 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 71.635 18.265 61.850 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 70.795 18.585 61.521 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 71.896 17.589 61.226 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 88.515 11.225 -16.257 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 87.930 11.053 -16.995 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 88.067 11.900 -15.747 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 44.084 75.879 10.582 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 43.778 74.985 10.425 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 44.523 76.129 9.769 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 37.113 14.581 17.803 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 37.855 14.082 18.143 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 37.199 15.445 18.206 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 71.217 23.138 43.219 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 71.417 22.959 44.138 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 71.804 22.563 42.729 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 65.278 60.130 -0.204 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 65.884 59.635 0.347 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 64.411 59.810 0.043 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 76.387 71.904 -13.691 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 75.800 71.895 -12.935 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 76.858 71.072 -13.639 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 22.124 5.886 55.433 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 22.228 5.149 54.831 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 23.006 6.050 55.766 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 73.350 82.386 45.153 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 73.699 83.133 44.666 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 73.041 82.761 45.978 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 24.774 49.508 51.280 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 24.138 49.524 50.565 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 24.557 50.274 51.812 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 78.957 83.092 -13.065 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 78.551 83.438 -12.270 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 79.898 83.167 -12.906 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 27.390 50.443 50.537 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 26.459 50.305 50.359 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 27.740 49.563 50.679 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 81.457 37.534 15.525 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 80.829 37.187 16.159 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 82.182 37.857 16.059 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 61.357 78.050 50.093 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 61.054 78.576 49.352 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 60.556 77.700 50.482 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 49.494 65.415 8.630 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 49.109 66.159 9.093 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 50.070 65.003 9.274 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 83.656 15.396 66.401 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 84.262 14.675 66.570 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 83.346 15.658 67.268 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 71.620 4.957 40.765 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 70.894 4.355 40.928 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 71.324 5.793 41.123 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 58.537 83.882 48.435 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 57.851 83.568 47.846 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 59.233 84.185 47.852 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 81.342 94.265 44.080 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 81.481 94.849 44.826 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 81.538 94.803 43.314 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 60.978 50.758 4.737 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 60.843 50.698 5.683 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 61.815 50.320 4.586 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 38.165 82.276 63.379 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 37.378 82.186 63.918 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 38.183 81.480 62.848 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 78.133 40.419 26.696 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 77.213 40.233 26.511 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 78.618 39.882 26.069 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 33.266 39.822 25.650 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 34.221 39.887 25.691 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 33.081 39.580 24.743 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 44.107 14.675 54.524 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 44.805 14.453 55.140 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 43.971 15.615 54.643 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 71.677 89.044 34.420 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 70.780 88.836 34.682 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 71.864 88.442 33.701 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 86.736 64.948 5.038 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 86.430 64.478 5.814 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 86.019 64.865 4.409 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 30.664 17.508 -7.103 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 31.157 18.328 -7.122 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 30.917 17.094 -6.278 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 30.821 53.457 -6.636 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 30.749 52.893 -5.865 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 30.016 53.974 -6.630 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 85.710 80.489 27.022 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 85.030 79.825 26.916 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 86.127 80.275 27.856 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 66.558 46.858 8.526 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 66.783 46.537 9.400 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 65.602 46.921 8.533 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 89.924 57.647 -0.249 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 90.103 57.375 -1.149 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 90.652 57.290 0.259 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 63.437 18.288 66.014 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 62.784 17.980 65.385 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 63.403 19.242 65.948 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 80.912 46.706 38.496 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 80.967 46.687 39.451 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 81.092 45.805 38.227 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 43.078 56.405 -0.278 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 43.162 56.563 0.662 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 42.632 57.182 -0.614 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 35.585 48.208 7.596 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 36.427 48.527 7.924 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 35.250 47.650 8.298 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 43.980 54.108 58.606 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 43.636 54.117 59.499 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 44.869 53.764 58.694 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 23.733 63.904 3.024 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 24.424 64.317 3.541 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 23.269 64.635 2.617 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 56.018 22.168 43.172 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 55.320 22.820 43.240 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 56.774 22.660 42.849 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 58.759 25.239 2.987 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 58.526 26.143 3.200 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 58.039 24.928 2.439 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 38.320 42.681 41.929 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 37.605 42.147 41.581 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 37.930 43.156 42.663 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 23.682 24.368 -13.540 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 24.561 24.278 -13.172 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 23.198 23.620 -13.190 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 21.718 48.032 39.179 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 21.070 47.738 38.538 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 22.460 47.439 39.059 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 58.696 51.162 56.357 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 59.479 51.327 55.830 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 58.146 51.933 56.217 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 43.992 40.284 0.425 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 44.154 41.204 0.637 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 44.126 39.820 1.252 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 66.727 37.011 39.486 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 66.096 37.498 38.957 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 67.405 37.652 39.701 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 53.081 40.453 -6.998 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 53.482 39.917 -7.682 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 52.363 40.908 -7.440 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 39.307 31.619 24.282 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 40.137 31.746 23.822 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 38.899 32.484 24.285 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 49.281 13.933 19.703 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 48.864 14.794 19.697 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 48.853 13.464 20.419 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 81.942 78.704 45.742 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 81.741 78.778 44.809 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 82.381 77.857 45.826 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 49.461 46.385 62.385 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 48.968 46.577 61.587 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 49.954 47.186 62.561 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 49.230 77.234 -15.518 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 48.414 77.160 -16.014 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 49.469 76.329 -15.315 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 25.782 73.819 52.848 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 25.998 73.751 51.917 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 26.610 74.052 53.269 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 76.473 74.466 62.119 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 76.169 75.108 62.760 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 75.837 73.753 62.174 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 67.714 75.741 33.145 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 66.914 75.827 33.665 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 67.651 74.871 32.751 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 44.987 75.148 25.207 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 44.456 74.594 24.634 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 45.785 74.642 25.358 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 51.337 53.382 62.436 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 51.594 53.083 61.564 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 52.158 53.419 62.928 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 66.767 9.031 63.815 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 67.106 8.136 63.796 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 65.817 8.926 63.861 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 25.711 16.624 9.688 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 25.594 15.720 9.396 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 25.977 17.098 8.900 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 36.725 78.014 0.007 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 37.300 77.374 0.427 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 37.237 78.348 -0.730 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 25.003 72.740 65.506 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 24.292 73.352 65.314 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 24.851 72.471 66.411 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 34.654 40.446 37.759 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 35.502 40.775 38.057 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 34.018 41.070 38.108 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 29.610 93.427 25.049 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 29.128 93.563 25.865 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 29.829 92.495 25.052 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 27.779 64.386 52.386 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 28.022 65.296 52.218 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 28.569 63.990 52.753 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 54.333 84.165 3.961 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 54.177 84.939 4.501 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 53.966 83.440 4.468 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 85.267 65.351 22.998 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 85.133 64.906 23.835 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 84.385 65.462 22.641 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 86.727 53.165 -17.587 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 86.187 52.421 -17.321 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 86.162 53.928 -17.464 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 88.163 64.984 -0.815 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 87.778 64.497 -0.087 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 87.863 64.522 -1.598 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 40.995 89.084 21.911 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 40.207 88.770 21.467 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 40.810 90.002 22.107 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 22.077 7.090 3.464 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 21.314 7.633 3.661 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 22.166 6.517 4.226 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 65.273 19.458 41.579 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 65.446 20.392 41.696 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 64.349 19.415 41.331 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 50.073 7.873 -15.360 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 50.019 8.664 -14.823 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 50.646 7.286 -14.866 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 40.103 49.704 -0.456 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 39.290 49.730 0.049 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 40.003 48.946 -1.032 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 86.189 32.012 44.369 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 86.586 31.214 44.718 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 86.432 32.694 44.995 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 30.593 80.117 4.836 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 30.736 79.343 5.380 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 29.686 80.039 4.541 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 72.056 67.753 25.789 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 71.914 68.243 26.599 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 71.205 67.762 25.351 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 31.265 51.647 -12.673 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 30.866 51.914 -13.501 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 32.180 51.918 -12.749 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 56.981 90.323 60.145 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 57.479 89.734 60.712 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 57.378 90.215 59.280 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 55.412 0.848 50.564 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 54.736 1.496 50.366 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 55.783 1.135 51.398 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 86.269 5.777 42.259 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 85.745 5.407 42.969 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 87.076 5.262 42.262 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 27.144 76.353 60.463 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 27.649 77.094 60.798 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 26.332 76.368 60.969 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 68.228 28.213 -18.837 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 67.989 29.127 -18.679 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 68.620 28.216 -19.710 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 61.172 74.435 17.869 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 60.675 74.059 17.142 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 60.595 74.345 18.627 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 60.517 84.835 62.305 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 59.983 84.443 61.614 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 60.090 84.568 63.119 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 70.349 43.047 38.659 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 69.578 43.441 39.067 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 70.022 42.670 37.842 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 88.375 91.331 20.387 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 88.043 90.907 19.596 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 87.600 91.717 20.796 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 87.532 10.926 44.890 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 86.755 10.391 44.726 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 87.328 11.407 45.692 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 74.506 37.464 12.038 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 73.622 37.683 11.745 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 74.404 37.234 12.961 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 81.659 87.823 -5.865 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 81.909 88.455 -6.539 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 82.485 87.580 -5.447 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 62.266 37.752 23.401 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 61.312 37.685 23.425 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 62.446 38.680 23.552 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 45.128 72.410 34.372 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 45.404 71.495 34.309 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 45.904 72.912 34.124 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 70.269 73.816 40.829 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 69.699 73.797 40.060 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 69.717 74.165 41.528 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 50.113 92.324 -2.568 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 50.478 92.615 -1.732 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 50.860 91.960 -3.042 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 28.459 62.973 45.360 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 28.557 63.390 44.504 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 28.259 63.694 45.956 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 37.172 92.063 51.718 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 36.448 91.844 51.131 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 37.644 92.762 51.265 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 36.916 76.320 44.020 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 37.860 76.280 43.869 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 36.700 75.474 44.412 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 30.243 18.423 50.972 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 30.210 18.994 51.739 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 30.751 18.915 50.328 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 88.282 61.839 38.877 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 88.607 61.406 38.087 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 87.484 62.285 38.596 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 50.140 88.515 -0.691 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 50.639 89.104 -0.125 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 50.566 87.664 -0.587 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 29.580 79.378 27.852 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 28.947 79.178 27.163 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 29.845 80.282 27.680 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 80.423 73.879 52.152 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 79.485 73.884 52.343 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 80.810 74.429 52.833 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 39.216 49.404 41.067 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 38.558 49.997 41.430 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 39.219 48.655 41.663 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 22.964 37.693 39.625 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 23.438 37.336 40.376 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 22.065 37.800 39.937 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 42.028 73.237 55.964 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 41.835 72.642 55.240 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 42.121 74.095 55.551 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 37.060 66.625 16.279 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 37.581 66.452 17.063 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 37.618 66.344 15.554 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 31.177 68.601 40.927 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 31.583 67.734 40.929 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 31.888 69.199 41.159 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 39.853 3.220 -2.085 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 39.015 3.077 -2.524 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 39.961 4.171 -2.076 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 83.293 52.722 8.156 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 82.894 52.549 9.009 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 84.203 52.940 8.356 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 26.674 65.489 45.418 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 27.248 65.505 46.184 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 25.810 65.274 45.771 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 34.881 61.975 56.605 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 35.536 62.623 56.342 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 34.089 62.228 56.131 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 52.322 56.701 50.723 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 52.112 57.477 50.202 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 53.278 56.689 50.761 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 84.333 52.329 56.018 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 83.599 52.896 56.255 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 85.099 52.756 56.403 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 24.546 44.686 60.071 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 23.763 44.482 60.581 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 25.269 44.332 60.589 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 20.415 15.710 63.388 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 21.351 15.870 63.264 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 20.367 15.173 64.179 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 37.612 4.194 -15.764 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 36.692 4.454 -15.715 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 37.599 3.344 -16.204 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 37.059 74.201 23.177 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 37.705 73.496 23.129 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 36.408 73.975 22.513 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 85.940 57.207 -5.691 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 86.588 56.510 -5.592 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 85.155 56.760 -6.009 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 30.185 69.706 46.500 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 29.935 70.598 46.739 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 30.756 69.811 45.740 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 80.301 67.729 58.434 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 80.783 68.009 57.656 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 80.249 66.777 58.354 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 90.183 66.190 36.413 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 89.552 66.290 35.700 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 90.331 67.082 36.729 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 50.472 72.062 7.549 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 50.963 72.882 7.503 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 50.680 71.706 8.413 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 50.631 15.341 -18.452 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 51.494 15.257 -18.858 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 50.274 14.453 -18.460 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 44.215 8.304 45.195 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 44.941 7.681 45.242 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 44.019 8.374 44.261 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 48.410 71.429 3.749 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 48.328 71.576 2.807 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 48.846 70.580 3.823 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 26.797 7.659 -10.765 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 27.341 6.900 -10.557 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 26.918 8.252 -10.023 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 42.226 80.494 64.851 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 41.804 81.219 64.390 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 42.191 80.744 65.775 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 83.877 57.855 44.726 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 83.195 58.035 45.374 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 84.581 57.443 45.227 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 44.171 30.217 -9.752 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 44.511 30.349 -8.867 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 44.043 29.271 -9.822 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 59.601 57.607 32.934 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 59.274 57.874 32.075 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 58.812 57.447 33.452 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 86.143 55.409 64.632 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 86.924 54.934 64.915 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 85.689 54.800 64.051 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 77.601 31.581 -1.125 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 78.177 30.880 -0.821 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 76.728 31.317 -0.835 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 84.304 67.757 -4.449 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 85.117 67.645 -4.942 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 83.741 68.270 -5.029 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 78.354 89.056 5.051 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 78.582 89.590 4.290 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 79.096 89.158 5.648 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 86.471 2.522 9.199 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 86.822 2.274 8.344 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 85.979 3.326 9.033 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 40.944 40.923 -9.671 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 40.592 40.052 -9.488 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 40.181 41.440 -9.930 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 89.730 48.377 6.649 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 90.455 48.944 6.912 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 88.972 48.960 6.606 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 73.484 26.913 60.282 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 74.324 26.616 59.933 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 73.297 27.720 59.803 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 59.167 89.705 -11.112 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 58.609 90.161 -10.482 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 58.559 89.368 -11.771 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 68.103 81.213 63.164 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 68.370 81.175 62.246 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 67.260 81.666 63.151 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 22.776 85.205 0.904 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 23.010 84.445 0.370 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 22.344 84.834 1.673 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 75.831 85.022 -4.385 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 75.160 85.095 -5.064 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 76.000 84.082 -4.316 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 58.135 85.266 -8.397 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 57.435 84.678 -8.115 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 58.638 84.754 -9.030 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 49.792 88.202 56.310 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 50.313 88.774 55.746 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 49.096 87.874 55.740 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 37.120 18.628 30.986 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 36.214 18.758 30.703 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 37.621 19.276 30.491 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 30.540 78.290 65.504 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 30.216 77.930 66.329 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 31.241 77.693 65.240 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 84.560 35.969 58.959 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 84.193 35.729 59.810 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 84.853 36.873 59.071 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 33.214 74.181 -5.342 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 33.720 73.987 -6.131 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 33.479 75.069 -5.101 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 27.763 85.827 19.040 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 27.920 86.418 19.776 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 28.635 85.537 18.774 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 37.964 56.844 57.084 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 37.913 57.727 56.718 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 38.777 56.840 57.589 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 58.759 7.397 40.357 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 58.846 7.531 39.414 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 57.845 7.139 40.479 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 46.948 32.870 -2.174 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 47.610 33.096 -2.828 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 46.148 33.291 -2.488 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 80.164 79.228 60.948 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 79.655 78.916 61.696 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 80.279 78.454 60.397 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 72.357 37.992 -11.487 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 72.385 38.536 -10.700 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 73.008 37.308 -11.328 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 41.209 59.562 0.509 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 41.082 60.508 0.585 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 41.472 59.285 1.386 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 86.141 28.683 29.342 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 86.906 28.748 28.770 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 86.030 29.565 29.696 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 51.783 53.485 46.860 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 52.340 52.937 46.306 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 51.035 53.704 46.305 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 24.582 75.143 36.666 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 24.237 75.063 37.555 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 24.550 74.253 36.315 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 75.764 81.596 29.101 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 76.073 80.690 29.067 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 75.348 81.675 29.960 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 75.514 72.520 58.130 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 75.015 72.137 58.851 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 75.238 72.026 57.358 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 72.795 78.437 47.408 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 72.999 78.872 46.580 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 72.865 79.129 48.066 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 53.641 88.360 50.608 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 54.529 88.042 50.773 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 53.742 89.002 49.905 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 28.726 68.823 0.413 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 28.750 68.463 1.299 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 29.635 69.055 0.223 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 71.395 29.324 42.009 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 70.461 29.500 42.125 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 71.762 30.157 41.714 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 64.548 4.873 5.613 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 63.849 4.554 6.183 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 64.130 4.985 4.760 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 29.820 45.342 -12.984 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 29.591 45.274 -12.057 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 30.555 45.954 -13.006 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 48.700 50.295 50.776 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 48.663 49.943 51.666 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 48.005 49.833 50.307 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 61.247 36.395 33.540 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 61.174 35.633 32.965 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 60.861 37.113 33.038 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 46.933 60.526 1.838 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 47.766 60.937 2.070 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 46.558 60.255 2.676 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 57.265 52.365 35.885 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 57.004 52.634 36.765 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 56.626 52.782 35.306 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 72.308 59.465 51.216 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 71.952 60.120 51.816 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 72.727 58.820 51.786 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 60.525 2.846 44.348 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 61.180 2.172 44.530 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 60.230 2.659 43.457 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 39.704 80.907 48.191 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 39.446 80.006 48.384 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 39.182 81.440 48.792 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 73.160 41.384 -14.725 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 73.641 42.172 -14.470 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 73.837 40.718 -14.844 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 42.444 81.701 -2.897 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 42.630 80.995 -2.278 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 42.976 82.435 -2.591 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 54.374 94.859 -10.820 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 54.500 94.263 -11.558 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 53.530 95.277 -10.991 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 58.115 81.485 32.541 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 57.251 81.300 32.172 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 58.293 80.742 33.118 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 41.336 20.088 -17.661 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 40.956 19.322 -18.090 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 40.910 20.120 -16.804 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 77.618 27.992 -11.162 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 77.291 28.773 -11.609 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 77.274 27.261 -11.674 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 47.243 49.640 -6.065 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 47.496 49.842 -5.164 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 48.057 49.363 -6.487 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 52.544 20.753 -15.492 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 52.814 21.552 -15.040 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 53.362 20.287 -15.666 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 73.882 62.858 3.742 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 73.502 62.884 4.620 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 73.727 63.734 3.388 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 73.467 36.245 -15.299 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 74.379 36.049 -15.515 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 72.985 36.064 -16.106 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 33.952 46.863 33.151 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 33.790 46.176 33.797 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 34.888 47.050 33.230 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 22.583 90.795 45.389 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 22.077 91.055 44.619 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 23.215 90.157 45.057 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 89.714 79.217 36.995 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 90.071 79.453 36.139 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 89.149 78.464 36.820 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 68.608 33.596 55.491 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 68.989 33.383 54.639 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 68.378 34.523 55.427 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 32.325 60.677 52.881 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 31.502 61.004 52.518 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 32.989 60.932 52.240 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 42.615 21.414 32.550 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 42.505 21.482 33.499 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 43.560 21.326 32.425 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 48.855 93.464 18.520 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 49.711 93.887 18.455 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 48.246 94.092 18.131 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 87.840 86.366 19.659 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 87.475 86.129 18.806 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 88.662 86.812 19.453 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 58.363 44.794 45.788 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 59.062 45.403 45.551 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 58.371 44.137 45.092 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 43.448 69.440 63.633 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 44.218 68.935 63.371 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 42.833 69.334 62.907 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 23.851 67.082 26.296 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 23.247 66.363 26.484 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 24.490 66.706 25.691 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 56.372 64.033 52.240 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 56.754 63.354 51.685 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 55.867 64.579 51.637 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 31.007 25.820 44.739 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 31.177 26.510 44.097 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 31.367 25.028 44.341 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 23.908 92.204 -12.830 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 24.010 93.156 -12.848 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 24.771 91.866 -13.072 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 88.608 4.224 44.767 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 89.075 5.058 44.809 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 88.205 4.130 45.630 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 65.034 78.324 -14.544 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 64.493 77.701 -14.059 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 64.461 78.651 -15.238 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 79.073 6.187 51.726 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 80.028 6.128 51.738 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 78.779 5.290 51.565 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 38.435 41.529 45.805 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 38.384 42.323 45.273 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 38.010 40.856 45.272 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 41.186 53.909 36.150 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 41.475 54.769 35.844 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 41.109 53.384 35.353 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 64.993 2.055 46.842 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 65.349 1.183 46.670 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 65.193 2.556 46.051 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 84.524 62.012 -10.549 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 85.303 62.564 -10.609 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 84.260 62.068 -9.631 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 38.165 80.115 27.899 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 38.174 80.256 28.846 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 39.042 80.367 27.611 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 71.418 80.071 -1.222 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 70.990 79.249 -1.462 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 72.013 79.833 -0.511 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 41.109 75.756 54.820 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 41.119 75.792 53.863 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 40.377 76.317 55.074 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 73.621 51.608 54.877 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 72.885 51.906 54.342 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 74.144 51.068 54.284 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 25.371 71.650 8.212 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 25.665 72.365 7.648 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 24.866 72.081 8.902 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 39.586 79.279 -4.915 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 39.826 78.806 -4.118 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 40.417 79.608 -5.258 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 48.061 83.488 -2.562 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 49.013 83.521 -2.660 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 47.862 82.557 -2.467 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 23.088 75.609 49.115 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 22.471 74.877 49.102 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 23.416 75.664 48.218 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 73.820 11.513 59.649 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 74.600 10.962 59.589 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 73.092 10.894 59.711 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 86.727 90.878 48.643 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 85.896 90.555 48.295 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 87.383 90.270 48.303 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 89.706 83.707 14.280 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 90.574 83.838 13.896 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 89.576 82.759 14.261 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 65.766 11.487 -19.299 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 65.313 11.857 -20.057 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 65.158 11.615 -18.571 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 70.534 65.042 48.934 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 70.654 64.276 48.373 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 69.585 65.160 48.980 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 50.855 2.395 54.370 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 50.387 2.943 55.000 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 51.255 3.017 53.762 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 76.610 93.344 9.125 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 77.231 93.620 8.450 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 76.832 92.428 9.294 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 68.390 58.976 51.150 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 67.583 59.480 51.250 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 68.104 58.063 51.149 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 71.518 24.586 22.859 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 72.449 24.568 22.637 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 71.074 24.334 22.049 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 64.852 15.615 -0.556 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 64.545 15.629 0.350 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 65.698 16.061 -0.530 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 82.737 64.826 9.293 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 82.351 63.953 9.360 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 82.914 64.939 8.360 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 60.421 12.580 -15.945 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 59.838 11.906 -16.295 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 60.188 12.640 -15.018 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 59.753 9.116 23.604 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 60.616 9.479 23.805 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 59.398 9.700 22.933 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 25.331 59.134 -8.133 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 24.929 58.544 -7.496 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 26.221 58.799 -8.242 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 79.208 67.869 45.287 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 78.983 68.481 44.587 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 79.032 67.004 44.917 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 23.615 5.220 1.561 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 23.397 6.113 1.829 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 23.207 5.122 0.701 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 79.842 75.050 17.761 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 79.257 74.623 18.386 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 80.577 74.444 17.666 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 54.940 73.499 52.714 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 55.009 73.195 51.809 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 54.190 74.094 52.711 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 76.644 44.533 56.766 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 77.465 44.707 56.306 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 75.996 45.069 56.311 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 89.204 93.817 18.644 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 89.195 94.743 18.886 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 89.224 93.350 19.480 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 57.195 81.750 -15.693 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 56.315 81.456 -15.929 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 57.406 82.420 -16.344 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 40.112 51.947 -14.552 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 40.489 51.619 -15.368 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 40.842 52.378 -14.107 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 60.902 0.421 29.560 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 61.322 0.337 28.704 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 59.965 0.454 29.365 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 83.745 70.587 40.109 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 83.331 70.200 39.338 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 84.430 69.964 40.352 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 72.254 75.786 7.189 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 71.620 76.250 7.736 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 72.507 75.024 7.711 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 39.661 31.134 57.468 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 39.393 30.530 58.160 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 39.024 30.994 56.767 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 70.796 11.438 49.638 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 71.657 11.649 49.276 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 70.463 12.273 49.967 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 82.326 96.418 60.926 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 81.659 96.810 61.490 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 82.697 95.709 61.451 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 42.472 51.212 58.740 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 42.439 51.956 58.139 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 41.554 51.022 58.936 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 84.741 88.912 3.257 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 84.170 88.249 2.869 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 84.838 88.642 4.170 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 73.465 86.150 35.322 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 72.751 85.941 35.924 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 73.062 86.702 34.653 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 36.124 54.776 42.938 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 35.680 54.239 42.281 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 36.898 55.114 42.488 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 70.160 71.372 56.954 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 69.908 71.431 57.876 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 69.442 71.793 56.481 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 89.885 51.752 19.154 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 89.207 51.226 18.729 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 90.707 51.325 18.912 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 80.745 87.124 -15.507 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 81.682 87.315 -15.564 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 80.618 86.372 -16.085 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 39.550 23.653 25.217 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 38.611 23.580 25.048 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 39.932 23.859 24.363 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 40.924 80.254 27.214 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 41.694 79.726 27.427 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 40.858 80.206 26.260 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 81.651 62.773 41.614 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 82.608 62.755 41.616 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 81.429 63.703 41.661 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 66.820 89.712 -8.930 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 66.284 90.504 -8.904 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 66.480 89.217 -9.675 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 84.235 52.138 52.387 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 83.887 51.736 53.184 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 85.183 52.152 52.520 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 63.733 59.966 65.377 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 63.685 60.920 65.318 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 62.992 59.722 65.932 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 25.029 46.081 -5.364 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 24.256 46.073 -5.929 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 24.869 46.797 -4.749 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 70.865 75.132 -13.389 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 71.155 75.135 -12.477 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 70.738 74.206 -13.598 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 28.589 48.792 43.930 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 28.483 49.743 43.962 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 29.535 48.657 43.883 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 48.361 95.601 9.277 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 48.536 96.410 8.796 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 48.731 95.754 10.147 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 24.220 82.977 0.600 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 24.839 82.419 0.129 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 24.443 82.857 1.523 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 49.819 76.855 49.303 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 49.303 76.907 48.499 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 50.573 76.313 49.071 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 63.197 93.709 36.074 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 62.536 93.885 35.405 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 63.226 94.508 36.600 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 86.251 73.747 28.419 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 86.019 73.410 27.553 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 86.980 73.196 28.703 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 39.040 4.149 10.981 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 38.872 3.484 11.649 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 39.992 4.159 10.887 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 53.996 27.996 65.269 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 54.791 28.294 64.827 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 53.295 28.521 64.883 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 57.986 75.431 33.366 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 57.736 75.455 32.443 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 58.177 74.509 33.540 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 41.245 58.866 54.253 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 41.017 59.254 53.408 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 41.792 59.526 54.680 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 60.480 1.768 -7.553 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 60.811 0.879 -7.420 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 59.545 1.653 -7.722 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 29.524 40.573 -12.058 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 28.831 40.063 -12.477 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 30.260 39.965 -11.988 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 35.683 94.760 47.025 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 35.797 95.194 46.179 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 35.998 95.399 47.666 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 60.813 1.528 41.256 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 61.243 0.684 41.397 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 61.420 2.016 40.700 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 76.124 28.043 29.717 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 75.602 28.685 29.236 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 77.014 28.160 29.385 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 55.064 34.654 51.534 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 54.786 34.171 50.755 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 54.257 34.792 52.031 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 79.696 57.572 51.921 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 80.298 57.283 52.607 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 79.058 56.862 51.848 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 75.995 52.730 32.412 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 75.732 52.890 31.505 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 76.933 52.917 32.426 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 88.229 3.858 67.210 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 89.069 4.313 67.265 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 87.888 4.086 66.345 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 45.391 42.222 9.124 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 45.778 41.530 9.661 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 46.133 42.770 8.869 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 77.957 93.827 17.461 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 77.075 93.822 17.833 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 78.538 93.835 18.221 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 60.123 19.111 21.545 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 59.236 19.378 21.302 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 60.090 18.155 21.561 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 57.863 24.250 35.833 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 57.688 23.827 34.992 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 57.730 25.183 35.664 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 68.492 63.655 2.622 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 68.610 64.062 3.479 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 67.548 63.507 2.554 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 76.833 7.544 63.947 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 76.288 7.734 63.183 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 76.878 6.589 63.979 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 87.064 64.253 -5.897 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 86.355 64.486 -6.497 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 87.763 63.931 -6.465 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 57.895 80.631 51.793 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 57.108 81.148 51.619 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 58.579 81.052 51.272 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 59.339 65.378 41.414 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 58.388 65.290 41.466 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 59.516 65.536 40.486 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 47.501 42.790 -8.233 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 48.437 42.692 -8.409 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 47.440 43.583 -7.700 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 41.385 92.389 1.020 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 42.116 92.648 1.580 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 41.237 93.146 0.453 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 44.778 40.423 33.962 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 44.920 39.502 33.743 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 45.149 40.906 33.224 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 90.267 18.738 -18.851 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 89.806 18.438 -19.634 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 89.676 18.528 -18.129 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 61.491 2.010 24.810 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 62.149 2.684 24.640 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 61.995 1.203 24.911 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 90.199 34.292 57.168 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 91.005 33.839 57.415 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 89.637 34.221 57.940 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 67.540 78.202 44.564 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 68.059 77.412 44.718 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 67.102 78.043 43.728 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 60.783 8.618 48.030 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 60.689 7.777 47.583 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 61.569 8.518 48.566 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 64.572 3.606 -4.230 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 65.527 3.667 -4.196 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 64.353 3.786 -5.144 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 63.282 19.744 -4.341 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 63.683 19.989 -5.175 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 63.512 18.822 -4.226 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 76.023 5.358 3.033 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 75.964 4.435 3.278 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 75.787 5.834 3.829 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 59.903 75.357 -19.711 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 59.145 75.048 -19.215 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 60.607 75.411 -19.065 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 36.850 57.996 14.025 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 37.526 58.645 13.827 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 36.892 57.889 14.975 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 80.886 57.054 -4.222 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 80.562 57.439 -5.036 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 81.373 57.761 -3.799 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 81.559 61.020 47.872 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 81.968 61.515 47.162 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 80.660 61.347 47.905 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 25.639 61.985 46.124 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 26.497 62.408 46.174 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 25.730 61.194 46.655 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 43.022 52.391 40.740 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 42.930 52.924 39.951 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 42.273 52.636 41.284 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 41.745 3.209 61.678 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 42.630 3.559 61.787 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 41.817 2.599 60.944 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 47.341 80.783 -2.371 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 47.294 80.565 -3.301 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 47.964 80.153 -2.008 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 32.465 45.588 27.546 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 33.149 44.941 27.717 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 32.903 46.270 27.036 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 30.010 33.871 -17.568 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 30.784 34.361 -17.290 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 29.925 34.066 -18.501 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 41.433 67.680 36.136 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 42.287 67.988 35.833 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 41.526 66.729 36.192 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 73.897 21.768 56.432 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 74.312 22.368 57.051 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 74.627 21.312 56.013 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 30.645 76.951 -3.837 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 31.553 77.196 -3.656 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 30.660 75.996 -3.893 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 50.123 13.392 47.237 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 49.377 12.896 46.899 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 50.624 13.633 46.458 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 31.127 17.577 -11.057 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 31.044 18.299 -10.433 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 30.276 17.140 -11.033 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 40.793 62.522 54.876 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 40.062 62.261 55.436 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 40.981 61.745 54.349 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 73.116 45.010 -6.657 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 73.480 44.253 -6.199 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 72.671 45.512 -5.974 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 22.976 0.542 -15.110 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 23.832 0.200 -15.366 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 23.175 1.309 -14.573 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 68.444 78.848 41.483 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 67.945 78.453 40.769 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 69.360 78.728 41.231 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 35.218 72.771 47.818 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 35.605 73.587 48.138 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 35.388 72.136 48.514 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 51.653 7.459 26.388 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 50.833 7.187 25.976 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 51.437 8.278 26.835 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 49.680 68.505 -2.279 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 49.299 68.136 -1.481 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 50.180 69.263 -1.977 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 37.646 63.453 17.968 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 38.298 62.853 17.606 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 36.816 63.162 17.591 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 53.769 36.328 0.587 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 53.051 36.313 1.221 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 53.351 36.551 -0.244 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 26.340 87.025 37.967 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 25.550 87.425 37.604 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 26.721 86.540 37.235 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 87.761 86.870 39.804 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 87.013 86.457 40.235 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 87.485 86.974 38.893 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 76.937 66.902 11.989 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 76.518 67.761 11.939 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 77.105 66.771 12.923 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 27.051 24.034 19.881 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 27.269 23.369 20.534 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 26.107 24.162 19.973 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 53.855 74.307 -13.788 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 54.787 74.112 -13.885 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 53.481 73.512 -13.409 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 38.751 27.850 62.048 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 38.113 27.140 62.112 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 38.919 28.105 62.955 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 57.117 87.340 -9.983 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 57.504 87.031 -10.802 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 57.206 86.600 -9.382 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 61.287 2.842 4.115 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 61.564 2.025 4.529 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 60.412 3.004 4.467 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 28.705 93.455 27.796 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 27.969 93.004 28.209 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 29.457 93.247 28.350 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 84.822 57.612 11.485 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 85.747 57.859 11.491 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 84.691 57.193 10.635 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 22.228 54.300 -8.842 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 22.095 55.147 -8.416 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 21.372 53.873 -8.797 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 32.372 68.738 56.298 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 32.349 68.099 55.586 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 31.453 68.958 56.454 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 87.011 79.199 15.253 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 87.067 78.828 16.134 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 86.164 79.645 15.234 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 24.567 60.061 18.832 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 24.570 60.786 19.457 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 23.734 59.615 18.986 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 90.056 59.690 13.204 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 90.317 59.407 14.080 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 90.555 60.492 13.051 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 86.166 80.680 30.094 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 85.526 80.042 29.780 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 86.979 80.181 30.181 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 21.239 59.364 51.052 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 20.366 59.297 51.439 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 21.324 60.285 50.806 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 83.659 90.144 10.132 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 83.958 90.308 9.237 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 83.010 90.828 10.297 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 27.526 11.346 61.009 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 27.452 11.395 61.963 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 26.825 10.750 60.745 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 26.561 66.275 66.911 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 25.778 66.210 66.364 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 26.469 67.113 67.363 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 69.969 89.032 42.268 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 69.367 88.769 41.572 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 70.835 88.791 41.939 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 63.076 85.093 57.488 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 63.737 84.799 58.114 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 63.553 85.664 56.886 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 57.510 26.215 61.419 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 57.198 26.031 62.305 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 57.904 27.086 61.480 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 74.770 93.400 27.346 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 74.600 92.523 27.688 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 74.537 93.987 28.066 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 58.612 9.901 48.681 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 59.382 9.438 48.350 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 58.967 10.681 49.109 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 22.224 70.417 -5.167 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 21.537 69.864 -4.795 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 22.797 70.618 -4.426 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 81.923 83.496 59.197 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 81.319 83.439 59.937 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 82.577 82.818 59.367 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 69.100 68.428 60.957 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 69.547 69.157 60.527 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 69.793 67.963 61.425 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 89.562 41.388 66.434 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 90.020 42.228 66.467 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 89.167 41.297 67.301 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 52.546 54.750 -1.550 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 51.917 54.178 -1.110 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 53.054 55.141 -0.839 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 64.830 4.945 11.212 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 65.148 5.165 12.088 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 64.051 4.412 11.367 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 40.362 30.908 2.154 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 41.150 31.032 2.684 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 40.425 30.006 1.839 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 76.047 81.134 10.836 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 76.050 81.157 9.879 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 75.147 81.348 11.079 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 88.224 26.643 31.486 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 87.759 27.474 31.577 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 89.112 26.891 31.230 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 61.554 88.084 36.038 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 62.295 88.667 35.876 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 61.942 87.311 36.447 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 28.681 15.924 59.885 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 29.618 15.970 59.697 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 28.267 16.384 59.155 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 72.930 69.478 31.278 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 72.294 70.146 31.023 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 72.402 68.779 31.663 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 85.924 14.596 -3.053 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 85.230 14.910 -2.473 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 86.735 14.888 -2.637 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 51.588 29.759 -10.821 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 50.874 29.452 -11.379 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 51.160 30.020 -10.005 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 28.137 49.890 53.922 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 27.307 49.413 53.928 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 28.375 49.967 54.846 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 69.233 53.152 66.486 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 69.578 54.037 66.366 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 68.290 53.275 66.596 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 27.543 0.505 60.967 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 27.276 1.210 61.557 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 27.041 -0.256 61.259 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 62.652 89.044 56.596 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 62.774 88.725 55.701 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 62.066 88.405 57.001 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 32.493 36.259 -17.419 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 32.472 36.134 -16.470 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 32.996 37.063 -17.545 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 36.636 73.114 65.697 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 35.755 73.418 65.478 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 37.021 73.834 66.196 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 43.139 68.699 -6.428 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 42.913 67.914 -6.926 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 43.479 68.367 -5.597 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 72.241 80.523 16.419 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 72.153 81.434 16.141 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 71.693 80.031 15.806 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 61.443 93.588 54.421 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 61.901 92.825 54.068 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 60.930 93.921 53.684 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 67.028 85.944 -11.167 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 66.356 86.620 -11.080 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 66.944 85.637 -12.069 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 50.781 57.232 -20.054 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 51.145 56.545 -19.495 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 50.081 57.622 -19.530 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 52.900 0.737 54.992 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 52.257 0.307 55.556 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 52.375 1.224 54.357 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 62.102 4.279 64.132 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 61.717 4.902 63.515 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 62.594 3.669 63.582 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 47.047 26.392 37.987 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 46.259 26.680 38.449 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 47.011 26.849 37.147 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 64.241 78.170 47.562 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 63.824 78.715 46.895 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 64.848 78.760 48.009 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 63.813 90.526 3.085 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 63.291 90.730 3.861 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 63.400 89.744 2.718 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 25.716 49.565 47.949 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 25.328 50.377 48.274 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 26.617 49.802 47.727 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 35.817 30.611 15.415 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 35.706 30.189 16.266 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 34.968 31.013 15.233 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 32.305 55.515 46.704 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 32.304 55.884 47.587 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 33.207 55.624 46.400 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 27.331 35.064 -17.410 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 28.164 34.593 -17.432 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 26.995 34.917 -16.526 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 49.161 16.296 62.348 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 48.737 16.208 61.494 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 48.620 15.773 62.940 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 32.639 19.760 21.547 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 33.198 19.999 20.807 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 31.907 19.285 21.152 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 44.618 64.186 64.704 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 44.905 65.025 65.065 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 43.704 64.107 64.978 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 64.016 7.940 54.621 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 64.478 8.451 55.286 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 63.931 8.536 53.877 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 64.017 46.131 12.312 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 64.036 45.632 13.129 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 63.134 46.497 12.275 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 44.145 88.907 66.610 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 44.601 88.114 66.891 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 44.625 89.197 65.834 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 82.426 49.204 56.335 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 82.207 48.518 56.964 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 82.221 50.022 56.789 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 38.011 86.943 -11.172 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 38.774 86.624 -10.692 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 37.777 87.762 -10.735 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 44.215 44.597 66.691 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 44.419 45.438 67.098 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 43.880 44.825 65.824 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 63.635 75.939 36.080 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 63.117 76.216 36.836 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 63.063 75.336 35.605 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 66.211 82.387 -0.291 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 65.971 82.056 -1.157 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 66.557 83.263 -0.457 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 59.311 95.867 -18.685 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 58.602 95.354 -19.072 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 59.075 96.777 -18.866 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 86.756 86.334 29.183 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 87.552 86.677 29.589 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 86.736 85.411 29.435 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 73.494 61.601 66.482 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 73.505 60.777 66.968 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 72.835 62.134 66.927 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 63.604 60.401 45.860 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 64.249 59.987 46.434 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 63.493 59.783 45.138 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 58.305 8.188 -4.777 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 58.503 7.847 -5.649 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 59.160 8.291 -4.360 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 53.028 95.461 50.832 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 52.243 95.858 51.209 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 53.628 95.368 51.571 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 83.601 73.716 61.193 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 84.147 73.019 60.830 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 82.975 73.263 61.756 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 42.766 20.024 57.274 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 43.185 20.867 57.104 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 43.473 19.464 57.594 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 63.606 57.181 46.803 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 62.813 57.548 47.195 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 63.988 56.641 47.495 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 34.007 61.587 24.112 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 34.746 61.516 23.508 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 34.370 62.022 24.884 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 46.986 85.533 31.085 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 46.130 85.951 31.000 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 46.982 84.840 30.424 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 67.208 6.311 -17.960 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 67.205 5.849 -17.122 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 66.617 7.052 -17.827 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 66.467 6.720 -12.054 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 65.723 6.472 -11.505 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 66.070 7.037 -12.866 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 84.123 51.076 31.165 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 84.265 51.997 30.946 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 84.936 50.640 30.911 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 38.530 74.386 5.426 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 38.309 73.504 5.126 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 38.958 74.251 6.271 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 82.350 74.566 0.427 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 83.217 74.811 0.103 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 81.971 74.039 -0.276 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 77.914 1.293 11.295 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 77.370 0.548 11.039 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 78.743 0.902 11.569 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 70.205 32.641 -0.875 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 69.511 33.263 -0.655 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 70.257 32.668 -1.831 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 55.319 47.633 -9.981 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 54.812 47.717 -9.173 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 54.705 47.872 -10.675 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 58.071 89.814 45.475 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 57.296 90.045 45.988 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 57.864 90.098 44.585 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 34.501 13.324 -9.397 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 34.116 13.279 -8.522 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 34.315 12.470 -9.785 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 36.116 87.475 44.602 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 36.036 88.292 45.093 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 35.943 87.722 43.694 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 68.332 19.529 4.018 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 69.016 18.977 3.638 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 68.674 20.420 3.945 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 39.008 16.970 65.693 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 38.677 16.107 65.443 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 38.702 17.094 66.591 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 44.253 2.186 4.183 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 44.207 2.534 5.074 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 43.338 2.092 3.916 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 62.799 87.484 42.631 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 63.529 87.901 43.088 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 62.939 86.546 42.759 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 51.969 83.167 63.614 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 51.134 83.622 63.722 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 51.968 82.498 64.299 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 76.955 90.905 44.137 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 76.013 90.954 43.977 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 77.299 91.733 43.800 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 65.017 49.990 -7.396 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 65.073 49.449 -6.608 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 65.215 50.876 -7.094 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 87.707 0.425 64.273 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 86.773 0.332 64.463 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 87.772 1.247 63.787 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 33.672 13.461 32.012 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 33.282 14.085 31.400 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 34.383 13.948 32.430 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 42.279 29.289 41.518 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 42.064 30.114 41.954 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 41.502 29.083 40.998 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 25.949 76.069 48.141 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 25.158 76.011 47.605 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 26.643 76.295 47.521 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 73.446 88.408 15.715 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 74.025 89.168 15.657 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 74.002 87.708 16.058 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 39.115 89.719 11.216 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 39.991 89.867 10.860 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 39.121 88.804 11.497 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 65.744 27.437 -2.291 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 66.232 28.104 -1.807 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 65.126 27.934 -2.827 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 42.674 89.197 -15.674 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 43.309 89.709 -16.174 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 43.022 88.305 -15.685 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 85.163 88.531 21.585 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 84.511 88.463 22.283 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 85.442 87.629 21.428 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 78.573 54.559 39.016 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 78.867 54.693 38.115 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 77.782 55.093 39.092 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 59.808 76.699 1.139 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 60.031 76.776 2.067 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 59.164 75.991 1.105 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 76.029 65.410 44.511 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 75.261 64.844 44.431 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 75.972 65.766 45.398 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 36.519 57.049 63.562 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 35.630 56.845 63.853 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 36.591 56.635 62.702 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 76.715 86.714 -18.197 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 76.320 86.443 -17.368 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 76.424 87.618 -18.317 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 26.792 1.137 18.923 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 25.838 1.193 18.984 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 26.977 0.197 18.920 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 42.262 62.209 -8.204 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 41.680 62.881 -7.848 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 42.825 61.965 -7.469 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 27.505 67.963 63.472 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 27.808 67.810 64.367 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 28.251 68.370 63.032 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 59.774 76.001 -13.466 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 60.349 75.435 -12.951 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 60.370 76.591 -13.928 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 74.606 84.767 -1.924 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 73.710 84.732 -2.258 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 75.133 85.030 -2.678 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 64.806 4.970 -15.267 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 64.955 5.845 -14.910 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 64.020 5.061 -15.805 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 52.650 4.783 48.505 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 53.082 5.621 48.344 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 51.747 5.016 48.724 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 80.168 65.080 40.917 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 79.378 64.602 41.170 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 79.970 65.428 40.048 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 24.923 53.829 -2.294 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 25.045 54.562 -2.897 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 25.347 54.111 -1.484 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 44.081 71.010 -18.121 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 44.697 71.743 -18.119 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 44.573 70.281 -17.744 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 42.125 4.152 34.223 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 41.492 4.224 33.508 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 42.744 4.867 34.068 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 76.446 51.091 42.205 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 75.566 50.739 42.068 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 76.703 51.432 41.348 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 22.131 58.664 65.637 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 21.744 58.786 66.504 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 21.458 58.970 65.029 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 56.014 70.002 48.261 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 55.491 70.529 48.865 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 56.634 70.623 47.877 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 61.032 51.829 34.070 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 60.545 51.581 33.284 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 60.529 52.553 34.445 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 85.195 7.450 -6.920 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 85.788 8.200 -6.952 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 84.416 7.779 -6.471 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 59.373 83.608 10.710 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 58.465 83.812 10.936 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 59.549 82.777 11.152 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 44.147 59.978 51.806 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 44.867 60.208 51.219 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 43.853 59.120 51.501 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 80.701 57.757 -19.951 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 80.060 58.153 -19.360 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 81.302 57.286 -19.374 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 31.249 84.188 -18.803 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 30.659 84.731 -18.280 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 32.126 84.497 -18.575 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 37.769 63.818 7.043 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 38.262 64.413 7.607 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 38.426 63.211 6.701 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 41.386 26.974 60.934 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 41.912 27.613 61.415 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 40.589 26.878 61.456 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 48.440 3.935 -11.238 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 47.609 3.932 -10.764 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 48.195 4.087 -12.151 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 89.481 75.172 -12.905 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 90.173 75.081 -13.560 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 89.452 74.322 -12.467 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 69.602 3.013 -18.370 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 69.339 3.173 -17.464 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 68.782 2.826 -18.828 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 30.392 11.017 60.305 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 29.660 10.751 60.862 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 30.453 11.965 60.425 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 47.046 1.678 24.810 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 47.171 1.581 25.754 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 47.251 0.815 24.451 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 23.180 33.335 33.666 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 23.088 32.946 32.797 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 22.312 33.252 34.060 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 70.906 9.900 46.565 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 71.793 9.585 46.735 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 70.358 9.424 47.190 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 58.971 8.059 -8.974 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 58.787 7.271 -9.484 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 58.120 8.489 -8.880 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 60.260 29.961 10.154 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 60.257 29.236 10.778 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 60.907 30.575 10.502 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 45.310 82.255 62.284 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 44.969 81.797 61.516 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 45.930 81.638 62.675 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 77.291 90.468 52.009 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 77.202 91.357 52.354 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 77.832 90.013 52.655 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 72.483 64.322 61.525 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 73.136 64.016 62.155 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 72.316 63.565 60.965 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 58.031 73.032 62.182 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 57.689 73.707 62.767 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 57.319 72.395 62.108 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 29.510 35.501 39.446 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 29.658 35.920 38.598 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 29.771 36.162 40.088 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 79.328 58.021 28.214 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 78.835 58.708 27.765 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 79.528 58.393 29.073 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 72.900 32.561 0.998 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 71.955 32.523 0.851 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 73.221 31.704 0.719 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 54.787 67.397 57.688 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 55.078 66.496 57.829 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 54.461 67.406 56.788 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 55.657 80.360 60.958 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 55.505 79.868 60.151 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 55.617 79.701 61.652 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 24.908 96.284 45.581 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 24.962 95.472 46.086 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 24.546 96.924 46.194 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 56.099 4.320 47.121 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 55.852 5.225 46.931 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 56.655 4.064 46.385 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 80.254 70.645 17.225 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 79.637 70.106 17.720 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 79.712 71.326 16.826 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 89.995 64.679 32.620 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 90.032 64.082 33.368 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 89.576 64.170 31.927 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 63.643 80.897 32.118 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 63.000 81.342 31.565 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 64.439 81.422 32.031 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 52.698 73.950 -2.872 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 51.868 74.405 -2.730 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 52.736 73.297 -2.173 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 41.401 90.986 -12.337 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 42.238 91.059 -11.878 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 41.320 91.809 -12.820 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 28.439 95.788 22.437 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 28.720 96.069 21.566 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 28.722 94.876 22.498 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 47.073 23.596 -16.619 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 47.498 24.353 -16.217 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 46.138 23.743 -16.478 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 55.990 91.287 2.508 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 55.089 90.995 2.648 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 56.528 90.615 2.927 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 81.289 85.071 14.509 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 80.486 85.278 14.987 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 81.466 84.155 14.723 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 60.290 10.790 59.655 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 59.561 10.636 59.054 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 61.048 10.920 59.084 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 81.794 74.849 49.303 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 81.806 75.723 49.694 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 81.408 74.290 49.977 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 73.551 83.929 2.735 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 73.268 84.843 2.710 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 73.105 83.519 1.994 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 46.300 95.825 45.140 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 45.784 95.053 45.371 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 45.650 96.482 44.889 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 46.435 69.603 -8.209 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 46.259 68.681 -8.026 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 45.570 69.989 -8.350 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 33.785 39.504 23.093 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 34.733 39.602 23.178 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 33.505 40.286 22.617 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 44.459 60.148 3.795 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 43.646 59.657 3.917 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 45.135 59.594 4.186 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 48.512 17.800 36.367 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 48.560 16.863 36.178 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 47.817 18.125 35.796 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 89.226 19.487 58.400 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 89.509 18.573 58.421 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 90.036 19.986 58.296 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 80.515 54.460 -14.705 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 80.828 55.020 -13.994 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 79.890 55.005 -15.183 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 61.021 69.729 -9.473 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 61.739 69.333 -8.977 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 60.329 69.864 -8.826 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 62.794 11.026 33.084 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 62.959 10.138 33.400 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 61.864 11.174 33.258 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 27.813 82.098 35.175 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 27.613 81.256 34.766 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 28.156 81.870 36.039 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 62.976 75.995 43.763 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 62.492 75.797 42.962 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 63.537 76.735 43.529 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 29.810 66.039 44.549 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 29.715 66.991 44.505 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 30.712 65.901 44.838 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 61.082 77.620 54.291 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 60.277 78.113 54.131 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 60.848 76.711 54.103 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 84.939 82.924 -8.891 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 85.823 82.846 -8.532 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 84.372 82.976 -8.122 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 53.966 80.943 13.144 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 53.023 80.815 13.034 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 54.362 80.173 12.735 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 70.343 62.041 -8.436 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 70.417 61.186 -8.861 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 71.019 62.575 -8.852 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 34.553 88.487 5.550 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 33.792 88.009 5.219 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 34.246 88.897 6.358 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 54.729 2.231 27.241 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 54.388 2.760 27.963 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 55.464 2.738 26.897 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 89.875 64.846 56.358 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 89.942 65.018 57.297 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 90.603 65.333 55.972 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 48.087 66.385 -4.303 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 48.201 65.542 -3.864 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 48.174 67.034 -3.605 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 60.044 79.550 47.434 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 59.694 80.045 48.175 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 59.293 79.426 46.853 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 57.265 19.318 26.437 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 56.843 19.676 25.656 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 58.188 19.553 26.340 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 31.731 75.238 36.509 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 32.280 75.435 35.750 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 31.738 74.282 36.568 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 79.579 63.479 -6.724 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 78.847 63.337 -7.324 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 80.189 64.030 -7.214 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 79.772 14.171 51.004 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 79.218 13.391 51.021 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 79.708 14.490 50.104 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 43.185 11.774 12.525 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 43.459 12.361 13.230 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 43.422 10.900 12.834 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 75.992 71.603 -2.383 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 76.791 71.107 -2.566 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 76.130 71.967 -1.509 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 41.685 6.237 51.281 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 42.259 6.983 51.103 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 42.281 5.495 51.383 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 86.242 37.393 56.818 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 85.311 37.547 56.660 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 86.528 36.866 56.072 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 21.012 68.488 67.314 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 20.198 68.568 66.816 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 21.704 68.550 66.655 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 24.421 84.453 -18.043 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 23.656 83.881 -18.102 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 25.054 84.072 -18.652 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 88.275 92.563 60.256 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 88.275 91.712 59.817 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 88.599 92.378 61.138 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 69.636 48.523 -3.078 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 69.661 48.243 -2.163 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 68.785 48.951 -3.175 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 68.235 78.636 3.334 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 67.465 78.711 2.771 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 67.954 78.068 4.051 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 65.112 9.999 50.162 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 65.092 10.827 49.682 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 64.500 9.433 49.691 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 57.186 6.558 33.537 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 58.085 6.517 33.864 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 56.986 5.659 33.274 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 60.272 81.581 64.183 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 61.076 81.609 63.664 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 59.730 80.921 63.751 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 58.467 63.684 34.278 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 57.910 63.519 35.038 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 58.345 62.915 33.720 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 31.581 73.239 20.161 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 31.353 73.401 21.077 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 31.676 72.288 20.103 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 70.509 57.929 -18.305 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 69.669 57.491 -18.441 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 70.869 57.519 -17.518 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 28.325 91.537 50.143 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 29.073 91.423 49.557 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 27.589 91.147 49.672 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 73.109 37.337 43.097 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 73.555 38.171 43.243 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 72.479 37.521 42.400 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 62.281 68.701 -13.643 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 62.829 68.820 -12.868 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 62.425 69.491 -14.163 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 61.575 30.824 44.882 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 60.903 30.704 44.212 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 61.467 30.074 45.467 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 26.902 37.188 56.491 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 26.670 38.109 56.614 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 26.871 36.813 57.371 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 60.809 17.001 30.852 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 61.254 16.759 31.664 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 61.261 17.791 30.557 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 65.359 72.316 41.087 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 65.121 71.588 40.513 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 66.284 72.171 41.287 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 80.497 83.639 61.458 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 80.451 82.724 61.736 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 79.935 84.107 62.076 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 21.865 39.984 41.093 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 21.350 39.285 41.497 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 21.283 40.358 40.431 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 24.376 68.970 46.375 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 23.799 69.622 45.976 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 25.164 68.983 45.831 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 30.059 84.888 18.167 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 30.208 84.028 18.562 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 30.933 85.270 18.089 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 68.200 29.299 6.074 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 68.422 29.890 6.793 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 67.913 29.877 5.368 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 45.330 91.050 31.800 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 44.472 90.875 32.187 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 45.139 91.560 31.013 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 73.169 90.315 42.583 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 73.688 90.418 41.786 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 73.114 89.368 42.713 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 78.484 92.037 59.817 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 79.098 91.488 59.328 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 78.697 92.931 59.550 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 82.602 82.848 25.883 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 81.761 82.477 25.614 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 82.483 83.064 26.808 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 47.828 92.812 51.044 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 48.704 92.430 51.100 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 47.955 93.637 50.576 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 40.810 31.637 46.016 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 40.741 32.062 46.870 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 40.646 32.337 45.385 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 29.630 72.587 46.906 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 30.548 72.471 46.663 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 29.657 73.115 47.703 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 76.189 1.989 -10.883 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 76.411 2.300 -11.760 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 75.662 1.204 -11.032 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 73.579 20.942 48.927 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 73.266 21.839 49.046 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 73.761 20.874 47.990 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 23.681 67.081 -20.005 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 23.688 66.615 -19.169 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 24.166 67.889 -19.832 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 73.440 77.100 -10.828 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 73.051 76.298 -10.478 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 73.564 77.661 -10.063 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 84.481 90.168 65.886 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 83.992 89.356 65.748 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 85.197 89.921 66.471 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 61.859 35.832 47.375 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 62.054 35.021 46.906 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 60.976 35.701 47.722 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 90.003 24.916 -9.383 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 90.056 25.290 -8.504 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 89.979 25.675 -9.966 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 55.453 88.205 45.955 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 54.508 88.137 45.814 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 55.652 89.129 45.801 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 37.506 7.301 47.360 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 38.219 7.072 47.956 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 37.514 6.609 46.699 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 47.257 87.305 -8.578 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 47.757 86.529 -8.326 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 46.608 86.980 -9.202 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 25.347 68.863 39.424 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 25.433 68.324 38.638 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 25.453 69.761 39.112 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 61.049 33.502 63.340 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 61.091 32.704 63.867 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 61.831 33.996 63.588 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 33.515 90.022 52.243 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 33.199 90.925 52.219 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 34.265 90.015 51.648 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 89.466 93.215 43.818 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 89.411 92.338 43.440 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 90.274 93.582 43.458 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 71.159 43.301 9.828 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 70.697 43.321 10.666 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 70.563 43.732 9.215 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 88.267 95.490 -9.776 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 89.048 94.947 -9.884 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 88.498 96.107 -9.081 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 45.994 78.096 48.165 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 45.361 77.981 47.457 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 46.127 79.043 48.218 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 85.307 75.213 23.864 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 84.714 74.518 23.581 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 84.751 75.819 24.353 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 43.362 24.677 -10.659 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 42.629 24.249 -11.102 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 44.036 24.000 -10.604 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 70.438 72.861 -15.179 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 70.337 71.913 -15.268 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 71.084 73.097 -15.845 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 72.585 74.059 60.294 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 72.312 73.242 60.712 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 71.884 74.256 59.673 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 67.721 5.232 66.265 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 67.631 4.282 66.337 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 67.507 5.560 67.139 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 69.422 42.056 66.773 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 68.568 42.380 67.058 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 69.366 42.037 65.818 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 29.647 84.070 30.295 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 30.391 83.647 29.865 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 30.043 84.738 30.855 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 26.582 79.218 54.800 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 26.448 78.929 53.897 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 25.702 79.248 55.176 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 42.173 12.007 57.967 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 41.994 11.103 58.226 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 42.588 11.932 57.107 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 64.467 73.656 -12.724 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 64.130 72.811 -12.427 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 64.912 73.461 -13.548 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 48.793 78.794 -1.004 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 48.539 77.879 -1.125 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 48.326 79.071 -0.216 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 57.824 78.500 5.490 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 57.967 78.755 6.402 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 58.115 77.589 5.447 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 32.449 58.284 15.203 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 32.916 59.109 15.066 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 32.399 58.191 16.154 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 45.845 6.225 22.755 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 45.820 5.268 22.787 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 45.004 6.498 23.121 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 74.525 26.538 -0.060 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 74.741 27.382 0.335 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 75.363 26.079 -0.119 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 31.611 58.199 -0.270 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 31.204 57.333 -0.269 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 32.544 58.026 -0.146 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 28.173 23.368 17.228 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 27.931 23.813 18.040 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 27.601 22.601 17.195 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 50.193 30.655 62.954 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 49.367 30.184 63.059 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 49.973 31.569 63.133 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 57.281 58.707 -5.858 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 57.609 57.948 -5.375 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 57.500 59.457 -5.304 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 36.002 80.147 61.805 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 35.519 80.668 61.165 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 36.633 79.651 61.283 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 37.242 94.195 9.910 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 37.880 94.813 9.553 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 37.549 93.337 9.619 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 55.011 3.257 20.663 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 55.855 3.630 20.919 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 54.362 3.827 21.075 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 24.183 69.888 64.182 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 23.760 70.746 64.205 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 24.881 69.982 63.534 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 35.893 39.645 26.595 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 35.349 40.220 27.133 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 36.739 39.627 27.043 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 57.764 94.170 50.336 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 57.583 94.921 50.901 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 56.981 94.086 49.791 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 29.375 73.607 49.344 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 29.857 74.091 50.015 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 28.456 73.696 49.598 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 28.191 90.296 -9.736 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 27.975 89.700 -9.019 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 27.568 91.017 -9.644 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 36.481 47.656 30.566 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 37.301 47.163 30.572 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 36.383 47.947 29.659 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 77.689 74.544 -11.888 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 77.612 74.028 -12.691 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 78.382 75.177 -12.075 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 34.634 82.925 32.997 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 35.391 82.462 33.357 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 33.882 82.547 33.453 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 88.161 83.722 41.328 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 87.641 84.422 41.723 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 87.562 83.293 40.717 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 55.949 80.630 17.919 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 55.858 81.333 17.275 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 55.567 80.988 18.720 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 36.675 9.963 50.789 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 36.939 9.281 51.407 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 37.109 10.755 51.105 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 39.939 57.608 43.334 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 39.897 58.368 43.915 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 40.237 57.962 42.497 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 31.218 4.369 52.633 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 31.994 4.324 53.191 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 30.703 3.599 52.875 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 88.346 50.839 37.142 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 87.428 50.603 37.272 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 88.366 51.266 36.286 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 53.104 61.486 62.305 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 52.417 62.129 62.129 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 52.631 60.697 62.572 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 29.942 84.827 51.095 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 30.290 84.936 50.210 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 30.465 84.121 51.474 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 52.592 58.225 0.838 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 52.443 58.067 1.770 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 53.057 59.061 0.808 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 33.276 47.155 30.265 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 33.429 47.173 31.210 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 34.097 46.833 29.895 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 55.484 88.803 8.877 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 55.775 89.616 9.291 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 54.529 88.828 8.947 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 82.922 1.823 -5.270 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 82.575 2.714 -5.265 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 82.738 1.499 -6.152 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 44.054 42.143 28.178 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 43.421 42.328 27.484 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 44.578 41.418 27.839 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 53.225 70.510 32.961 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 53.143 71.321 33.463 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 54.087 70.168 33.199 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 55.583 2.527 5.014 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 56.110 2.252 5.764 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 55.655 3.482 5.008 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 21.146 93.573 23.831 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 21.737 94.152 24.312 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 21.603 92.733 23.802 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 76.955 88.257 56.358 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 77.399 87.411 56.419 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 77.352 88.785 57.051 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 84.024 93.382 60.020 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 84.059 93.889 60.832 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 84.930 93.116 59.865 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 72.733 60.293 56.012 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 71.984 60.263 55.417 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 73.417 60.741 55.515 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 56.844 77.144 35.140 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 56.503 76.570 35.826 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 57.005 76.562 34.398 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 34.436 39.643 54.424 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 35.196 39.153 54.110 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 33.711 39.336 53.880 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 79.794 78.411 28.254 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 79.227 77.713 27.925 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 79.452 79.208 27.849 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 43.399 87.619 8.715 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 43.088 86.841 9.178 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 42.691 87.836 8.108 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 62.731 42.283 -3.361 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 63.243 43.033 -3.663 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 62.231 42.617 -2.616 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 57.911 44.261 66.469 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 58.431 45.015 66.746 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 57.421 44.007 67.252 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 68.583 31.343 30.230 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 68.474 30.457 30.576 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 67.744 31.771 30.397 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 26.137 52.395 61.977 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 25.878 51.478 61.885 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 26.782 52.393 62.684 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 25.597 59.618 -2.737 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 25.520 58.779 -2.285 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 25.669 60.264 -2.034 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 58.422 27.485 58.591 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 58.072 28.224 58.092 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 57.647 27.037 58.931 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 31.665 85.884 -10.903 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 31.641 86.543 -11.596 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 32.311 86.216 -10.279 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 67.596 50.261 62.472 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 66.815 50.195 63.022 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 67.299 50.723 61.688 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 70.861 85.982 63.020 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 71.232 86.526 63.715 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 71.407 85.196 63.014 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 27.680 69.351 37.243 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 27.879 70.275 37.393 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 27.434 69.307 36.319 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 53.856 76.587 46.002 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 54.492 77.110 45.514 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 53.612 75.883 45.401 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 48.841 31.744 46.355 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 49.358 31.761 47.160 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 48.835 32.652 46.054 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 22.535 69.099 57.285 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 23.100 68.407 57.628 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 21.911 69.271 57.990 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 82.205 52.499 -0.068 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 81.368 52.590 -0.523 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 82.844 52.898 -0.659 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 85.396 90.128 60.847 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 85.920 89.519 60.326 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 84.505 89.781 60.797 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 44.279 42.569 63.409 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 44.200 41.892 64.081 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 45.157 42.928 63.533 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 76.513 94.778 -12.084 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 76.519 94.881 -13.036 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 75.646 95.082 -11.815 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 32.391 94.470 47.595 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 32.874 93.646 47.546 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 33.069 95.144 47.636 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 42.472 10.231 -11.939 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 41.979 10.932 -12.365 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 43.236 10.099 -12.500 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 62.503 76.069 -0.278 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 62.134 75.717 0.532 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 61.766 76.506 -0.706 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 57.900 94.882 62.847 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 58.407 94.516 63.572 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 58.046 94.274 62.122 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 90.275 89.804 31.399 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 91.160 90.045 31.125 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 89.882 89.411 30.619 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 21.815 78.092 16.267 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 21.653 78.461 15.399 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 22.406 78.717 16.687 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 48.450 93.818 45.169 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 47.850 94.547 45.324 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 48.674 93.884 44.240 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 44.414 51.419 4.467 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 45.103 52.083 4.464 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 43.768 51.746 5.094 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 59.229 76.352 50.955 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 59.005 75.853 50.170 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 58.406 76.761 51.223 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 89.292 83.778 53.687 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 89.388 83.882 52.740 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 89.690 84.566 54.057 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 74.459 53.255 24.869 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 75.306 52.811 24.823 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 73.848 52.652 24.448 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 72.187 69.681 53.103 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 71.511 70.339 53.264 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 71.912 69.246 52.296 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 69.211 8.980 52.068 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 68.477 8.578 51.603 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 68.803 9.468 52.783 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 52.979 82.223 16.895 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 52.984 81.271 16.996 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 52.322 82.527 17.520 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 56.151 25.021 50.541 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 56.031 25.692 51.212 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 55.279 24.898 50.165 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 68.426 75.781 57.155 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 67.548 76.150 57.064 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 69.011 76.474 56.849 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 40.655 94.722 54.629 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 40.775 94.287 53.785 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 40.985 95.610 54.491 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 77.954 70.453 -7.597 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 78.385 71.299 -7.722 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 77.119 70.669 -7.182 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 84.071 73.905 -10.336 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 83.731 74.668 -10.805 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 83.971 74.129 -9.411 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 23.887 35.927 61.745 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 24.210 36.651 61.209 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 24.518 35.860 62.462 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 21.344 74.943 51.954 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 22.184 75.094 51.520 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 21.314 73.997 52.095 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 78.017 72.337 -10.174 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 77.962 73.057 -10.802 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 78.953 72.245 -9.996 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 35.093 9.134 -14.383 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 35.754 9.802 -14.201 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 35.518 8.307 -14.152 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 21.710 72.025 36.342 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 21.829 71.416 35.612 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 22.442 71.839 36.931 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 55.242 91.135 40.892 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 54.958 91.710 41.603 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 55.273 91.703 40.122 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 31.930 10.617 8.285 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 32.759 10.963 7.955 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 32.069 10.517 9.227 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 23.151 57.112 -5.370 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 23.323 58.049 -5.278 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 22.900 57.004 -6.287 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 63.542 18.874 -12.520 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 63.045 19.681 -12.653 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 63.984 18.724 -13.355 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 52.453 78.153 58.299 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 53.292 77.985 57.871 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 51.920 77.385 58.094 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 61.492 49.803 46.053 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 61.584 50.436 45.341 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 60.684 49.332 45.852 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 43.232 58.896 -1.636 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 43.831 58.785 -0.898 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 42.586 59.532 -1.328 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 45.365 85.022 46.634 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 46.097 85.618 46.787 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 44.589 85.581 46.669 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 41.711 89.148 32.823 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 41.454 89.446 31.950 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 40.886 88.924 33.253 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 60.673 8.416 32.987 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 61.622 8.538 33.009 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 60.523 7.607 33.477 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 76.106 92.587 41.490 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 76.478 93.379 41.879 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 76.771 92.288 40.870 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 85.585 16.975 -0.703 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 86.421 17.271 -1.065 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 85.756 16.083 -0.403 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 34.482 5.764 62.962 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 35.216 5.524 63.528 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 33.765 5.954 63.567 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 25.180 52.125 49.082 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 24.236 52.261 48.999 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 25.439 52.679 49.818 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 47.772 59.568 -0.609 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 47.392 59.921 0.195 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 48.671 59.896 -0.615 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 42.754 28.788 23.800 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 43.089 27.961 23.453 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 41.920 28.917 23.348 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 68.060 28.906 -13.325 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 67.564 28.593 -12.569 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 68.107 29.854 -13.205 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 59.383 35.455 -14.804 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 59.388 35.679 -13.873 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 60.203 35.815 -15.142 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 53.526 63.272 44.478 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 53.429 62.472 44.995 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 53.220 63.032 43.604 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 50.812 89.991 7.996 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 51.424 89.647 8.646 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 49.985 90.082 8.469 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 70.336 76.273 26.584 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 69.563 76.836 26.640 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 69.983 75.394 26.448 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 32.046 71.256 -5.107 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 32.185 70.371 -5.443 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 32.732 71.374 -4.450 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 27.730 7.689 62.173 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 28.504 7.287 61.777 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 28.081 8.278 62.840 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 35.627 48.166 -8.878 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 35.252 47.335 -9.171 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 35.894 48.607 -9.684 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 72.254 76.725 28.683 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 71.461 76.829 28.158 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 72.157 77.359 29.393 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 80.690 71.291 58.334 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 81.304 71.998 58.138 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 80.829 70.652 57.635 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 61.330 65.897 57.185 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 61.276 65.649 56.262 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 60.424 65.870 57.493 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 76.715 80.885 42.630 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 76.028 80.228 42.742 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 77.479 80.511 43.068 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 57.627 48.102 43.227 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 56.701 48.338 43.161 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 57.982 48.279 42.356 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 55.222 92.861 43.554 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 54.313 93.108 43.724 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 55.685 93.694 43.466 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 65.839 78.833 -11.498 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 65.561 77.943 -11.713 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 66.146 79.196 -12.328 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 30.522 68.176 67.138 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 30.044 68.375 66.334 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 31.373 67.857 66.838 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 33.055 69.496 16.568 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 33.794 68.957 16.285 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 33.235 69.686 17.489 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 57.442 61.923 50.842 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 57.700 61.646 49.963 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 57.016 61.154 51.221 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 61.908 51.834 55.264 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 62.104 52.600 54.723 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 62.247 52.059 56.130 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 88.529 11.287 36.331 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 88.567 12.176 35.979 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 88.155 11.390 37.206 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 44.160 77.270 -2.914 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 44.709 76.522 -2.680 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 43.381 76.881 -3.312 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 34.933 59.705 38.968 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 34.559 60.004 39.797 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 34.187 59.656 38.371 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 26.974 63.028 66.662 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 26.085 63.164 66.333 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 26.852 62.642 67.530 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 22.352 25.480 54.606 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 22.940 25.377 53.858 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 21.591 24.942 54.389 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 81.712 42.606 24.138 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 82.249 42.602 23.346 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 81.303 43.472 24.147 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 32.573 44.084 65.277 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 32.805 44.619 66.037 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 32.706 43.182 65.570 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 80.393 83.817 1.686 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 81.348 83.834 1.630 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 80.148 84.720 1.889 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 78.118 43.345 37.629 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 79.041 43.586 37.708 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 77.642 44.119 37.932 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 25.809 42.755 -16.865 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 26.152 41.905 -17.139 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 26.583 43.253 -16.601 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 21.096 15.915 44.192 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 21.293 15.135 44.711 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 21.875 16.465 44.282 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 46.582 28.349 -10.340 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 46.915 27.494 -10.067 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 46.179 28.712 -9.551 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 57.013 94.960 42.974 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 57.938 95.191 43.057 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 56.846 94.976 42.031 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 65.837 92.330 -2.773 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 65.754 93.283 -2.825 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 64.939 92.007 -2.847 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 68.613 36.254 12.736 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 68.262 35.845 13.527 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 68.101 37.057 12.633 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 54.115 7.559 19.236 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 53.265 7.466 18.806 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 54.593 8.184 18.691 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 61.072 79.290 60.982 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 61.842 79.175 61.539 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 61.339 79.944 60.336 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 60.127 88.552 17.485 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 60.562 89.173 16.901 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 60.842 88.112 17.945 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 74.620 82.272 -0.980 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 74.709 83.199 -1.201 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 75.340 82.099 -0.374 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 79.731 85.794 30.126 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 78.846 85.726 29.769 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 80.243 86.193 29.423 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 62.043 58.901 17.103 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 61.158 59.241 16.968 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 61.935 57.950 17.117 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 35.893 20.948 50.871 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 35.806 20.467 51.694 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 36.292 21.782 51.122 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 50.509 92.697 51.788 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 50.996 91.905 52.014 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 50.942 93.029 51.001 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 24.707 82.169 3.085 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 24.131 82.131 3.848 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 25.584 82.287 3.452 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 35.636 3.695 39.767 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 35.884 4.123 40.586 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 36.433 3.253 39.476 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 34.930 67.438 52.554 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 34.210 67.642 51.956 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 35.337 68.285 52.736 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 66.305 85.224 31.207 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 65.374 85.072 31.368 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 66.351 86.129 30.898 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 41.875 78.700 -13.862 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 41.283 79.364 -13.509 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 41.815 77.972 -13.243 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 36.716 5.126 45.638 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 36.400 4.379 46.146 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 36.350 4.993 44.763 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 74.327 85.142 44.124 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 74.733 85.886 43.680 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 74.706 85.151 45.003 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 70.466 67.611 -5.423 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 69.811 67.141 -4.907 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 69.955 68.150 -6.026 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 26.742 53.210 43.126 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 26.500 54.115 42.930 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 26.639 53.134 44.074 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 50.040 58.952 58.156 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 49.618 59.741 57.815 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 50.194 58.409 57.383 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 21.035 56.419 10.211 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 21.423 55.555 10.069 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 21.330 56.673 11.086 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 69.692 79.642 9.105 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 69.148 79.951 9.829 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 69.925 80.436 8.623 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 35.681 7.565 36.120 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 34.887 8.047 35.886 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 35.809 6.950 35.398 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 27.884 63.231 49.716 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 27.700 63.654 50.554 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 28.701 62.754 49.862 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 28.144 90.765 45.657 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 28.187 91.715 45.547 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 29.021 90.518 45.950 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 39.096 55.725 37.879 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 39.413 56.498 38.345 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 39.795 55.515 37.259 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 73.938 83.200 5.622 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 73.716 83.751 4.871 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 73.259 83.391 6.269 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 84.757 48.428 -3.913 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 84.515 48.878 -3.104 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 85.113 47.587 -3.623 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 85.679 81.215 52.777 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 85.843 81.965 53.349 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 86.548 80.939 52.488 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 74.238 67.082 66.396 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 74.712 67.694 65.832 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 74.130 67.552 67.223 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 67.318 89.163 66.029 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 67.830 89.279 65.229 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 67.150 90.054 66.337 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 37.129 62.210 51.464 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 36.902 62.630 50.634 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 38.081 62.293 51.523 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 75.544 65.084 60.990 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 75.022 64.731 60.269 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 76.015 65.823 60.605 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 81.017 89.208 -11.608 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 81.732 89.696 -12.015 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 81.178 88.297 -11.853 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 85.456 34.988 64.081 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 85.496 34.178 63.572 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 85.766 35.665 63.479 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 76.166 63.820 25.000 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 75.569 64.493 25.326 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 75.665 63.360 24.327 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 52.830 29.064 41.936 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 53.610 28.911 41.403 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 52.135 29.235 41.301 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 40.565 90.061 -5.494 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 41.131 89.326 -5.261 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 40.955 90.815 -5.053 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 85.000 82.881 50.140 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 85.650 82.399 50.650 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 85.513 83.365 49.493 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 70.620 4.543 4.964 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 69.801 4.751 4.514 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 70.522 4.932 5.833 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 49.018 72.527 48.738 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 48.881 72.152 47.868 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 49.850 72.995 48.669 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 41.122 13.403 27.598 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 41.143 13.607 28.533 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 42.019 13.556 27.299 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 51.229 86.173 -5.044 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 50.594 85.539 -5.377 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 50.705 86.795 -4.538 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 66.330 2.828 -14.247 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 65.596 3.436 -14.339 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 66.698 3.025 -13.386 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 86.428 82.749 32.188 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 86.366 82.223 31.391 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 85.541 83.079 32.328 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 21.159 2.474 -2.449 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 21.198 2.071 -1.581 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 21.623 3.305 -2.349 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 73.649 28.777 52.567 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 74.214 28.498 51.847 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 72.946 28.127 52.586 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 35.857 68.131 -8.824 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 36.163 68.194 -7.919 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 36.433 67.481 -9.227 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 22.997 70.108 -16.026 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 23.393 70.080 -15.155 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 22.589 70.973 -16.076 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 77.514 55.184 50.505 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 77.594 56.124 50.341 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 77.071 54.842 49.728 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 39.232 88.494 34.464 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 38.351 88.343 34.122 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 39.181 88.231 35.383 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 51.175 66.032 -19.511 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 50.458 66.225 -18.907 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 51.891 65.739 -18.947 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 48.182 43.730 23.019 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 48.505 43.799 22.120 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 47.933 44.623 23.254 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 65.662 8.207 -14.728 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 66.410 8.724 -15.029 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 65.123 8.829 -14.239 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 73.047 73.681 8.694 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 72.217 73.525 9.145 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 73.400 72.806 8.531 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 24.873 36.617 -1.897 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 25.609 36.101 -2.226 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 24.824 36.399 -0.966 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 69.759 51.144 55.668 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 69.240 51.942 55.569 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 70.000 50.903 54.773 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 26.123 75.041 40.369 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 26.388 74.614 41.184 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 26.323 75.967 40.507 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 75.180 72.160 4.702 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 74.383 72.299 4.191 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 75.777 72.848 4.408 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 37.150 32.934 4.978 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 36.709 32.900 5.827 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 36.715 33.646 4.510 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 46.289 63.067 62.881 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 46.081 62.143 63.019 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 45.944 63.509 63.657 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 72.586 74.761 34.789 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 73.234 74.432 34.166 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 73.096 74.993 35.565 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 88.288 83.783 21.310 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 88.079 84.289 22.096 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 87.927 84.299 20.590 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 75.872 5.088 9.139 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 76.756 5.317 8.854 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 75.309 5.353 8.411 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 87.491 52.702 53.382 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 87.771 53.553 53.044 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 87.371 52.845 54.321 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 88.647 68.751 -6.341 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 87.870 69.153 -5.952 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 88.751 69.196 -7.182 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 82.041 65.279 56.623 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 82.129 64.702 57.381 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 82.871 65.188 56.154 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 25.960 9.495 6.161 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 26.273 9.241 5.293 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 25.952 10.452 6.144 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 81.176 2.871 51.631 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 81.400 3.716 52.021 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 81.079 3.056 50.697 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 54.126 88.854 58.069 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 53.388 89.259 58.525 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 54.634 89.592 57.733 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 88.963 88.857 29.018 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 88.485 89.666 28.834 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 88.999 88.403 28.176 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 84.873 72.791 52.014 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 84.785 72.256 51.225 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 84.074 72.619 52.512 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 51.338 76.120 0.187 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 51.448 75.312 0.688 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 50.680 76.616 0.674 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 31.625 4.911 59.740 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 32.048 5.161 58.918 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 32.297 4.425 60.218 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 55.315 93.501 54.856 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 55.103 92.954 54.099 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 56.270 93.475 54.911 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 90.309 16.151 51.972 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 89.448 16.442 52.272 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 90.855 16.935 52.013 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 29.384 93.847 48.529 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 29.526 93.899 47.584 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 29.775 93.011 48.785 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 86.063 95.959 -11.425 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 86.672 96.404 -12.014 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 86.625 95.532 -10.777 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 82.100 95.390 53.842 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 82.701 96.134 53.810 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 81.263 95.768 54.114 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 86.943 13.926 49.198 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 87.711 13.364 49.292 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 86.887 14.398 50.029 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 50.523 71.131 33.765 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 51.281 71.713 33.822 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 50.894 70.274 33.555 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 55.220 48.539 54.320 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 55.575 48.009 53.607 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 54.281 48.351 54.314 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 45.485 80.292 -0.407 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 46.130 79.920 0.194 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 45.999 80.586 -1.160 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 58.448 85.091 51.130 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 59.111 84.763 51.738 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 58.581 84.580 50.332 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 25.715 33.800 22.812 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 25.832 33.485 21.916 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 26.148 34.654 22.824 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 57.419 92.075 -9.081 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 57.112 91.277 -8.652 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 57.988 92.492 -8.434 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 73.356 50.473 -16.760 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 74.214 50.061 -16.866 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 73.194 50.908 -17.598 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 68.138 79.569 11.321 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 67.460 79.074 10.861 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 67.937 79.447 12.249 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 43.195 70.200 27.935 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 44.059 69.918 27.635 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 43.358 70.609 28.785 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 28.042 34.550 25.331 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 27.587 35.135 24.725 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 28.700 34.111 24.791 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 32.386 41.230 60.387 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 32.712 42.124 60.491 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 33.156 40.677 60.524 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 22.178 96.345 48.011 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 22.844 95.909 48.544 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 21.480 96.562 48.629 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 43.404 53.425 -7.053 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 43.228 52.995 -7.890 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 44.106 54.047 -7.246 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 55.772 10.494 10.023 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 54.916 10.396 10.440 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 56.157 11.264 10.441 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 60.728 14.573 34.198 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 60.094 14.311 33.531 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 60.195 14.794 34.962 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 29.163 14.797 51.632 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 28.962 14.239 50.881 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 28.718 15.624 51.443 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 45.998 59.692 8.049 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 46.155 60.471 7.515 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 46.175 59.976 8.945 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 80.010 95.249 28.770 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 79.146 95.538 29.066 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 80.601 95.957 29.025 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 83.217 5.009 -10.856 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 82.603 4.719 -10.181 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 82.749 4.874 -11.680 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 36.520 87.187 53.861 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 35.702 86.924 54.283 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 36.480 88.143 53.833 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 40.862 40.333 46.981 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 40.128 40.499 46.389 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 40.835 39.389 47.138 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 74.525 30.503 -15.853 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 74.901 30.411 -16.729 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 74.509 31.447 -15.696 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 87.192 86.198 -3.469 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 87.233 85.243 -3.418 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 86.556 86.447 -2.798 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 85.596 86.512 45.003 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 84.791 86.881 44.639 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 85.336 86.168 45.858 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 56.970 5.783 56.585 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 57.886 5.830 56.311 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 56.733 4.862 56.476 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 31.805 73.052 25.255 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 32.069 72.132 25.230 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 32.046 73.347 26.133 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 86.284 64.265 61.704 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 85.713 64.533 62.423 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 85.739 64.345 60.922 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 55.364 27.690 48.189 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 55.618 27.166 47.429 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 55.669 27.184 48.942 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 34.013 0.866 60.272 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 33.846 1.809 60.287 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 33.380 0.521 59.643 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 72.637 48.200 49.058 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 72.648 48.924 49.685 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 71.773 47.803 49.165 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 79.171 49.395 26.028 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 78.542 49.769 26.644 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 78.649 48.816 25.473 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 80.823 7.121 -10.041 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 81.311 7.586 -10.721 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 81.066 7.562 -9.227 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 66.255 70.278 58.938 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 66.826 70.871 59.426 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 65.912 70.811 58.221 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 78.105 61.221 -10.448 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 78.918 61.697 -10.617 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 77.545 61.429 -11.196 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 33.028 66.523 12.904 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 33.236 65.660 12.546 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 33.208 67.130 12.186 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 48.024 20.793 63.773 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 48.979 20.769 63.828 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 47.835 20.700 62.840 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 77.299 71.151 13.245 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 77.859 71.173 12.469 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 76.737 70.386 13.114 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 56.827 47.989 3.185 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 57.587 48.268 3.695 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 56.282 48.773 3.119 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 70.896 56.815 59.728 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 71.352 56.662 58.900 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 69.985 56.963 59.476 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 77.355 16.271 -18.393 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 76.606 15.760 -18.086 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 77.147 16.480 -19.303 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 48.335 64.507 56.517 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 48.663 63.666 56.837 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 48.145 64.355 55.592 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 65.375 2.693 3.084 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 65.874 2.910 3.872 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 64.893 3.493 2.877 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 58.185 60.442 25.368 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 57.300 60.736 25.583 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 58.164 59.495 25.506 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 34.500 94.910 50.274 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 34.910 95.037 51.130 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 34.796 95.656 49.753 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 76.954 80.231 -7.115 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 77.232 80.552 -7.973 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 76.153 80.718 -6.924 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 59.676 93.503 58.933 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 59.347 94.343 58.611 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 60.005 93.059 58.151 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 45.047 93.423 45.470 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 44.900 93.179 44.556 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 45.149 92.589 45.928 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 69.158 63.795 18.904 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 68.305 64.074 18.571 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 69.579 63.367 18.159 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 70.198 54.448 20.708 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 69.945 54.799 19.853 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 69.716 54.983 21.339 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 46.696 79.808 62.536 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 46.340 79.023 62.119 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 47.579 79.556 62.808 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 80.391 52.001 17.139 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 80.420 51.692 16.233 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 80.925 51.372 17.624 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 32.488 59.543 -12.829 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 32.317 58.962 -12.088 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 33.422 59.433 -13.010 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 80.643 1.022 31.149 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 79.803 1.470 31.056 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 81.054 1.437 31.906 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 52.012 34.805 49.065 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 52.493 34.713 48.243 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 51.841 35.744 49.140 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 21.794 47.522 0.878 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 22.349 47.741 1.627 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 20.900 47.595 1.213 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 56.811 84.075 6.333 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 56.673 84.120 5.387 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 56.716 83.147 6.546 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 34.938 73.116 -13.620 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 35.172 72.969 -14.536 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 35.183 72.303 -13.177 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 38.451 78.369 41.391 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 37.766 78.400 42.059 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 38.233 77.604 40.859 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 55.026 18.277 38.934 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 54.075 18.337 39.021 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 55.228 18.787 38.150 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 54.251 14.696 24.425 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 54.243 15.599 24.109 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 53.389 14.574 24.824 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 45.316 0.645 48.871 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 45.955 0.839 49.557 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 45.120 -0.285 48.982 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 52.612 8.270 58.003 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 52.848 9.188 58.139 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 52.695 8.139 57.059 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 73.781 82.070 -16.995 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 74.256 82.811 -16.620 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 73.885 81.368 -16.352 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 65.331 26.873 41.093 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 64.869 27.205 40.324 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 65.041 25.964 41.174 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 49.416 5.708 0.887 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 49.991 6.466 0.781 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 48.829 5.745 0.132 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 26.589 16.285 31.977 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 25.719 15.886 31.989 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 26.902 16.152 31.083 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 52.585 10.887 32.632 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 52.551 11.822 32.832 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 53.372 10.784 32.097 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 58.577 79.797 58.667 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 58.171 78.939 58.540 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 59.090 79.703 59.469 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 66.217 65.641 21.064 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 66.480 65.565 20.147 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 65.450 65.074 21.142 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 71.504 3.869 54.477 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 70.966 4.608 54.190 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 72.390 4.226 54.536 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 27.906 95.746 58.348 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 27.447 96.328 58.953 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 27.209 95.260 57.907 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 32.608 58.941 66.401 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 33.415 59.155 66.868 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 32.045 59.705 66.532 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 85.729 22.510 55.245 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 85.064 23.041 55.684 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 85.440 21.607 55.376 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 32.479 63.622 2.003 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 32.945 64.110 2.681 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 32.170 62.831 2.445 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 51.346 85.385 41.563 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 52.278 85.506 41.383 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 51.159 84.493 41.271 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 76.054 81.522 38.201 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 76.898 81.082 38.301 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 75.954 82.034 39.004 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 51.607 63.116 51.510 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 50.948 62.663 50.986 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 51.863 63.868 50.975 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 53.904 13.950 35.615 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 54.306 13.189 36.032 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 54.052 14.668 36.230 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 75.718 9.572 4.991 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 75.936 10.397 5.426 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 76.564 9.211 4.724 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 85.706 9.839 47.565 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 85.424 10.625 48.033 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 86.602 9.689 47.865 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 86.696 58.542 32.645 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 86.014 58.699 33.298 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 86.259 58.037 31.959 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 57.120 14.226 -9.167 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 56.324 14.184 -8.637 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 57.834 14.202 -8.530 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 70.058 95.045 -13.180 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 69.107 94.947 -13.235 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 70.295 94.625 -12.354 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 55.138 17.574 -6.952 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 55.581 16.727 -7.001 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 54.910 17.673 -6.028 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 32.849 55.056 35.591 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 33.390 55.398 34.879 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 32.188 55.732 35.736 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 76.963 74.628 4.443 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 77.644 73.968 4.574 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 77.400 75.462 4.613 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 74.571 23.593 -13.121 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 74.600 24.418 -13.605 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 74.925 22.944 -13.729 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 55.670 82.354 50.355 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 55.918 83.086 49.791 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 55.897 81.574 49.849 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 40.837 95.581 1.351 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 41.278 96.149 0.719 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 40.309 96.176 1.882 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 86.397 37.945 66.393 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 86.030 38.130 67.258 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 86.540 38.807 66.003 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 90.651 91.930 -11.349 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 90.489 92.555 -10.642 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 90.235 92.322 -12.116 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 63.133 84.853 43.543 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 62.398 84.444 43.086 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 63.280 84.297 44.308 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 61.335 14.691 -2.618 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 60.692 14.195 -3.124 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 62.182 14.359 -2.915 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 24.308 51.895 8.491 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 24.829 51.178 8.128 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 24.046 52.411 7.729 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 54.386 70.059 -13.297 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 54.524 69.133 -13.097 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 54.856 70.526 -12.607 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 34.683 56.406 34.044 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 35.189 56.148 34.814 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 35.333 56.757 33.435 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 59.358 41.424 41.416 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 60.073 41.424 40.780 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 58.568 41.546 40.890 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 57.895 27.775 49.279 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 58.281 27.781 50.155 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 58.250 28.556 48.855 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 84.837 70.305 62.079 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 84.422 70.946 61.501 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 84.371 69.487 61.905 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 80.786 95.439 6.124 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 80.848 95.653 5.193 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 81.614 95.004 6.326 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 54.379 95.388 53.159 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 53.983 96.078 53.691 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 54.677 94.737 53.794 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 64.190 29.612 53.189 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 64.501 30.510 53.072 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 64.543 29.344 54.037 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 88.488 19.663 -5.178 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 88.312 20.050 -4.321 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 89.329 19.218 -5.073 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 59.252 92.426 45.014 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 58.826 92.377 45.869 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 58.669 91.945 44.427 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 54.617 18.594 55.175 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 54.454 18.932 54.294 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 54.720 19.375 55.717 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 63.786 41.067 38.970 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 63.513 41.568 38.202 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 64.677 41.369 39.149 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 27.184 91.796 8.036 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 27.569 92.489 8.574 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 27.069 91.061 8.638 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 85.909 38.914 -17.180 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 86.309 38.863 -16.312 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 85.885 39.850 -17.379 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 37.742 2.431 15.470 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 37.453 2.416 14.558 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 37.035 2.004 15.954 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 80.043 62.996 52.685 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 79.763 62.081 52.670 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 79.248 63.487 52.895 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 70.271 30.016 38.739 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 70.120 30.952 38.868 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 70.773 29.963 37.926 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 42.593 91.388 47.282 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 42.637 92.305 47.554 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 43.507 91.132 47.152 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 26.333 92.378 -9.933 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 27.070 92.934 -10.185 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 26.078 92.694 -9.066 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 68.567 91.758 59.450 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 67.701 92.130 59.283 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 69.153 92.247 58.872 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 61.663 43.149 -1.058 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 62.097 43.782 -0.487 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 61.418 42.429 -0.476 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 74.003 45.032 62.074 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 73.459 45.549 62.668 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 74.352 45.669 61.451 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 50.384 92.788 0.355 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 50.357 93.639 0.791 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 50.537 92.161 1.063 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 80.020 80.380 54.806 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 79.768 81.197 54.375 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 79.266 80.155 55.352 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 29.620 48.090 57.649 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 29.887 48.998 57.503 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 28.689 48.146 57.866 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 83.335 83.548 65.214 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 83.551 84.239 64.587 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 82.479 83.797 65.561 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 24.884 58.207 -11.842 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 24.075 57.723 -12.010 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 25.226 58.414 -12.711 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 69.514 79.536 -18.285 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 70.308 79.894 -17.889 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 69.000 79.216 -17.544 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 85.384 62.077 -7.466 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 85.267 61.151 -7.251 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 86.110 62.089 -8.089 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 27.412 66.889 -8.267 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 28.090 66.442 -8.774 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 27.581 66.630 -7.361 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 88.403 38.999 63.100 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 87.770 38.409 62.691 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 89.146 38.438 63.321 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 36.823 58.623 26.053 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 37.147 59.476 25.765 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 37.073 58.571 26.976 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 71.265 70.768 24.539 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 71.333 70.947 25.477 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 70.323 70.730 24.370 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 22.698 1.916 51.668 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 23.069 1.079 51.389 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 21.865 1.977 51.200 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 28.649 23.637 27.999 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 28.655 22.692 28.150 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 29.372 23.969 28.532 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 80.169 32.039 16.267 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 80.219 31.430 15.531 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 80.557 32.849 15.935 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 78.921 67.973 61.883 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 78.441 67.791 62.690 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 79.736 68.382 62.174 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 75.880 22.598 5.494 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 76.696 23.075 5.643 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 75.549 22.940 4.664 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 24.903 5.691 5.683 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 24.366 4.977 5.339 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 25.750 5.586 5.249 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 32.099 6.050 30.631 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 31.567 5.442 30.117 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 32.601 5.488 31.221 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 76.344 67.849 26.466 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 76.483 66.904 26.535 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 76.002 67.977 25.581 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 60.808 51.487 64.563 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 60.988 52.423 64.649 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 60.437 51.235 65.408 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 77.621 8.794 8.057 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 77.242 9.499 8.582 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 78.489 8.653 8.435 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 82.817 60.617 -5.578 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 82.561 60.844 -4.684 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 83.767 60.512 -5.537 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 84.512 50.702 48.637 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 83.771 50.291 48.192 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 84.855 50.018 49.213 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 88.379 89.580 36.014 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 87.948 88.858 35.556 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 88.953 89.151 36.650 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 54.548 87.586 -7.268 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 53.944 87.516 -8.007 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 54.480 88.499 -6.988 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 40.943 83.605 49.691 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 40.644 84.193 50.384 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 40.138 83.301 49.271 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 46.502 36.572 39.169 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 45.886 37.304 39.169 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 47.361 36.981 39.061 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 56.464 27.216 30.851 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 55.933 26.429 30.730 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 57.363 26.924 30.703 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 78.034 28.764 -1.417 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 78.518 28.153 -1.973 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 78.061 28.368 -0.545 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 86.175 3.859 39.060 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 86.613 3.891 39.911 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 86.591 3.128 38.603 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 42.890 94.147 47.106 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 42.273 94.722 46.652 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 43.634 94.074 46.508 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 63.123 6.450 15.648 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 64.072 6.580 15.662 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 62.968 5.899 14.881 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 29.876 1.320 59.344 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 30.558 1.195 60.004 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 29.133 0.810 59.667 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 77.868 78.796 8.554 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 78.208 78.000 8.145 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 77.819 78.584 9.486 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 30.744 83.125 20.319 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 29.961 82.655 20.607 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 31.461 82.506 20.460 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 83.138 55.978 51.589 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 84.086 55.879 51.502 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 82.822 56.065 50.690 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 75.600 15.149 -4.930 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 74.736 15.530 -4.773 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 75.655 15.062 -5.882 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 65.600 67.883 -6.285 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 65.338 67.859 -7.205 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 64.812 67.630 -5.804 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 90.235 9.615 -14.406 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 90.006 10.130 -15.180 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 89.724 10.007 -13.698 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 37.031 88.681 -18.831 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 36.465 89.435 -18.998 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 37.100 88.241 -19.678 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 88.954 75.194 16.557 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 89.907 75.118 16.510 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 88.638 74.293 16.492 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 55.440 84.246 19.902 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 55.527 83.663 20.656 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 54.956 85.001 20.237 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 56.726 39.203 42.112 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 57.343 39.323 41.389 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 57.162 39.596 42.867 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 89.939 91.920 -1.964 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 89.328 91.563 -1.319 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 90.795 91.591 -1.691 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 69.824 54.914 29.669 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 69.677 54.777 28.733 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 68.946 55.009 30.038 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 81.631 4.645 43.069 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 82.324 5.083 42.576 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 80.861 4.703 42.503 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 30.407 0.930 52.906 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 31.115 1.046 53.539 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 30.766 1.255 52.081 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 34.612 30.109 -10.200 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 34.386 29.378 -10.776 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 35.038 30.745 -10.775 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 25.923 32.841 19.829 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 25.137 33.339 19.606 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 26.615 33.236 19.299 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 64.922 60.679 -9.834 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 65.154 59.887 -9.350 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 63.974 60.622 -9.949 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 87.754 96.299 5.119 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 88.620 95.910 4.996 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 87.376 95.815 5.853 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 47.964 0.960 -7.620 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 47.132 1.354 -7.882 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 48.102 1.264 -6.723 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 79.309 84.858 -2.126 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 79.544 84.842 -3.054 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 79.166 83.939 -1.899 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 41.255 1.756 23.771 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 41.639 1.413 22.964 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 40.326 1.537 23.707 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 85.312 8.079 41.057 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 84.682 8.413 41.697 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 85.634 7.263 41.441 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 31.812 72.602 54.643 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 31.881 71.669 54.437 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 32.120 73.045 53.853 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 68.044 58.421 25.534 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 67.575 58.405 24.699 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 67.421 58.802 26.152 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 84.791 39.828 48.088 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 84.531 40.643 47.658 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 85.213 39.317 47.397 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 49.757 88.046 59.195 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 49.672 88.264 58.267 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 50.381 88.687 59.536 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 36.911 12.552 45.697 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 36.725 12.636 44.762 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 37.835 12.785 45.780 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 42.213 69.591 10.781 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 42.964 70.127 10.525 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 42.560 68.990 11.440 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 32.121 82.232 51.691 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 32.291 82.273 50.749 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 32.527 81.411 51.971 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 87.357 88.128 24.028 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 86.937 88.931 24.334 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 87.612 88.320 23.125 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 71.906 74.204 49.502 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 71.762 75.017 49.020 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 71.367 73.556 49.048 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 87.466 65.722 13.711 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 87.974 65.954 14.488 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 87.987 65.045 13.278 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 48.561 6.423 13.846 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 47.780 6.693 14.329 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 48.247 6.243 12.961 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 73.280 55.921 1.017 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 74.188 56.175 1.178 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 72.945 55.670 1.879 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 58.525 89.075 57.051 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 58.983 89.528 56.343 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 59.035 88.278 57.196 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 37.211 11.182 54.238 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 36.679 11.580 54.927 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 38.103 11.475 54.423 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 83.328 59.716 58.995 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 83.681 59.633 59.880 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 82.388 59.844 59.122 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 39.621 14.899 7.896 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 40.267 15.568 8.121 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 38.891 15.388 7.515 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 36.496 48.918 11.728 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 37.096 48.274 11.351 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 36.852 49.099 12.597 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 29.629 53.238 58.453 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 28.687 53.068 58.450 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 29.761 53.850 59.178 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 58.286 22.858 62.988 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 58.108 22.724 62.057 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 57.579 23.429 63.288 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 64.938 76.121 -4.379 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 65.366 75.847 -5.190 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 64.125 75.616 -4.354 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 79.905 93.888 19.443 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 80.754 94.310 19.310 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 80.115 92.963 19.576 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 59.959 7.152 52.597 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 60.257 6.389 52.102 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 60.339 7.900 52.136 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 41.465 55.886 66.131 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 40.609 55.800 65.711 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 41.839 56.682 65.752 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 51.518 0.579 -19.205 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 51.692 -0.256 -18.770 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 51.023 1.086 -18.562 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 26.699 83.730 51.621 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 27.513 83.749 52.124 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 26.085 84.251 52.138 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 89.141 92.724 25.440 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 88.405 92.870 24.847 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 89.814 93.337 25.143 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 68.783 21.447 67.165 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 68.906 21.599 66.228 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 69.265 20.639 67.342 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 28.132 29.851 3.867 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 28.541 30.504 4.436 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 27.990 30.309 3.039 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 85.651 2.093 -19.783 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 86.502 1.903 -19.389 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 85.345 2.877 -19.326 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 30.866 64.062 62.559 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 30.333 64.072 61.764 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 30.331 63.595 63.201 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 90.636 25.372 39.301 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 90.463 24.888 38.494 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 90.020 26.104 39.278 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 49.230 90.575 48.140 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 48.491 91.122 47.874 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 48.955 90.190 48.973 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 88.536 76.027 -5.015 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 88.455 75.642 -4.142 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 88.012 76.827 -4.974 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 78.662 70.006 -2.253 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 78.899 70.251 -1.358 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 78.513 69.062 -2.212 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 87.974 8.209 -15.590 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 88.083 7.742 -14.762 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 88.505 8.999 -15.493 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 52.585 14.891 13.214 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 53.040 15.733 13.202 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 51.656 15.120 13.200 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 46.825 84.466 11.493 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 46.692 83.617 11.915 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 47.458 84.290 10.796 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 51.825 67.470 -4.512 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 52.464 68.176 -4.611 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 51.490 67.573 -3.621 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 60.212 84.318 26.428 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 59.347 83.960 26.627 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 60.775 83.550 26.336 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 57.644 88.063 16.754 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 58.538 88.181 17.074 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 57.363 88.941 16.496 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 22.476 80.816 42.993 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 22.958 81.470 42.487 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 21.586 80.851 42.645 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 88.771 60.656 66.717 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 89.252 59.829 66.751 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 89.417 61.319 66.964 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 30.963 69.141 -7.476 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 30.985 68.284 -7.901 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 31.056 69.767 -8.194 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 73.958 66.447 14.971 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 73.507 65.613 15.102 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 74.009 66.833 15.845 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 36.804 62.777 -1.808 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 36.035 62.940 -2.354 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 36.809 63.497 -1.177 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 39.983 0.738 -9.394 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 40.700 1.312 -9.126 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 39.948 0.064 -8.714 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 48.497 5.092 -13.997 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 49.394 5.416 -14.075 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 47.988 5.857 -13.728 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 76.931 61.518 35.543 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 76.313 61.124 36.158 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 77.042 62.415 35.857 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 61.038 11.781 54.865 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 60.879 10.865 54.638 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 61.095 12.231 54.023 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 72.083 64.831 -15.644 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 72.155 65.057 -16.571 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 71.151 64.658 -15.511 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 57.925 92.760 54.567 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 58.266 93.230 53.806 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 58.692 92.331 54.947 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 56.891 88.736 19.861 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 56.150 89.319 19.696 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 57.632 89.325 20.008 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 88.572 60.686 -5.804 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 88.069 61.263 -6.379 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 88.609 61.152 -4.969 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 36.085 5.514 32.342 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 35.226 5.898 32.517 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 35.916 4.835 31.690 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 24.649 89.903 29.100 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 25.307 89.251 28.860 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 24.358 90.270 28.265 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 59.115 87.279 45.554 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 58.817 88.183 45.653 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 58.673 86.965 44.765 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 35.250 42.096 0.045 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 35.510 43.014 -0.034 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 34.337 42.080 -0.245 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 84.458 8.523 -3.120 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 84.652 9.315 -3.621 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 85.022 8.583 -2.349 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 59.522 26.575 -17.707 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 58.969 27.266 -18.072 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 59.186 26.442 -16.820 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 31.110 4.364 -7.389 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 31.569 4.080 -6.599 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 30.695 3.569 -7.724 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 79.321 73.442 59.384 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 80.023 72.861 59.091 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 78.863 73.688 58.581 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 24.168 93.700 53.631 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 23.253 93.919 53.804 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 24.593 93.753 54.488 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 81.605 68.913 0.906 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 80.654 68.828 0.835 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 81.807 68.622 1.795 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 75.468 81.231 18.216 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 75.857 80.787 18.970 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 74.658 81.613 18.553 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 51.784 15.975 -13.004 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 51.699 16.321 -13.892 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 51.677 16.740 -12.438 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 31.413 6.242 -3.334 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 30.636 6.363 -3.880 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 31.194 6.670 -2.507 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 30.223 76.903 -18.849 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 30.567 76.372 -18.130 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 29.658 77.547 -18.423 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 57.585 83.906 -17.430 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 58.175 84.091 -18.161 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 56.762 83.647 -17.845 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 25.042 23.330 57.574 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 25.193 23.115 56.654 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 25.488 22.636 58.059 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 36.506 11.167 34.861 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 36.210 11.319 35.758 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 36.124 11.886 34.357 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 74.439 20.088 -13.078 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 75.188 20.649 -13.278 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 74.514 19.915 -12.139 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 54.128 76.403 50.765 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 54.804 75.833 50.400 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 53.456 76.446 50.085 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 60.792 85.427 65.764 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 60.816 86.343 66.041 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 61.327 85.403 64.970 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 29.408 17.357 54.036 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 30.254 17.801 54.084 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 29.592 16.459 54.311 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 77.543 68.978 47.428 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 78.253 68.479 47.024 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 77.766 69.893 47.258 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 70.813 11.456 -10.827 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 71.050 10.633 -11.256 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 70.910 12.119 -11.510 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 39.868 12.460 22.140 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 39.335 12.598 21.357 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 40.758 12.682 21.867 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 67.328 92.834 -5.449 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 66.760 92.066 -5.523 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 67.196 93.145 -4.554 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 35.306 3.076 49.384 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 36.197 3.419 49.315 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 34.918 3.241 48.525 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 41.725 5.020 1.464 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 42.536 5.226 1.929 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 41.095 5.665 1.785 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 82.523 49.727 47.352 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 81.951 49.892 46.603 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 82.682 48.783 47.330 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 21.977 51.765 61.130 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 22.416 51.815 61.979 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 21.903 50.827 60.953 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 88.846 61.572 54.051 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 89.257 62.353 54.423 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 87.958 61.575 54.408 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 42.964 72.189 32.494 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 43.578 72.122 33.226 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 43.227 71.489 31.897 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 85.413 68.752 46.621 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 84.917 67.960 46.828 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 85.042 69.058 45.794 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 59.682 83.668 -19.114 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 60.149 84.122 -18.413 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 59.921 84.144 -19.909 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 28.203 29.964 56.978 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 27.463 30.303 56.475 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 27.917 29.099 57.273 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 24.693 54.935 61.879 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 25.333 54.250 62.076 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 23.855 54.475 61.831 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 24.857 3.042 49.743 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 24.005 3.048 50.178 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 25.489 2.921 50.452 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 68.053 89.597 -5.886 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 68.582 89.136 -6.537 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 67.163 89.571 -6.238 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 89.838 41.077 52.446 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 90.306 41.873 52.699 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 89.299 40.863 53.207 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 85.681 62.711 17.077 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 85.135 63.477 17.255 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 86.532 62.928 17.457 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 75.425 85.849 8.818 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 76.187 85.285 8.691 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 75.150 86.083 7.931 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 49.121 53.736 -18.003 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 48.268 53.761 -18.438 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 49.449 52.852 -18.169 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 42.827 77.396 7.388 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 43.760 77.241 7.245 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 42.415 76.546 7.234 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 60.775 44.923 4.985 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 60.870 45.429 5.792 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 59.888 44.566 5.029 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 45.972 15.234 60.315 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 45.485 14.414 60.396 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 45.635 15.783 61.023 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 73.536 7.524 -8.509 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 73.193 8.228 -7.959 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 72.760 7.128 -8.904 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 70.311 62.724 16.746 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 70.668 61.839 16.677 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 69.478 62.684 16.276 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 82.722 27.472 42.051 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 82.745 27.291 41.111 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 81.900 27.083 42.350 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 23.274 47.380 21.992 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 23.531 48.302 22.022 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 24.068 46.903 22.233 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 74.694 60.486 24.520 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 74.763 59.764 23.895 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 73.785 60.458 24.819 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 63.171 89.241 66.690 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 63.933 88.663 66.740 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 63.429 90.022 67.180 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 33.517 86.751 -9.059 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 32.968 87.436 -8.678 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 34.380 87.156 -9.149 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 72.110 40.017 -17.287 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 72.358 40.745 -17.856 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 72.926 39.535 -17.146 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 78.232 82.845 50.719 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 77.405 82.431 50.964 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 78.670 82.198 50.165 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 34.143 18.894 29.490 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 33.778 18.611 28.651 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 34.866 19.475 29.254 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 29.996 54.717 39.297 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 29.478 54.086 38.797 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 30.048 55.487 38.731 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 62.288 36.397 30.678 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 61.678 36.273 29.951 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 63.139 36.527 30.259 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 70.609 19.543 -19.321 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 70.638 19.636 -18.369 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 71.266 20.161 -19.642 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 80.317 33.906 65.666 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 79.738 34.617 65.941 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 81.188 34.303 65.641 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 28.303 74.389 -18.757 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 27.892 73.564 -18.498 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 29.234 74.180 -18.834 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 22.288 59.497 3.583 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 23.236 59.409 3.686 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 22.001 58.639 3.269 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 77.988 89.405 58.827 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 78.787 89.780 59.196 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 77.695 88.771 59.481 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 21.229 15.041 4.008 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 20.638 15.423 4.657 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 21.374 15.743 3.373 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 66.441 72.318 50.098 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 65.710 72.857 50.400 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 66.080 71.434 50.041 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 22.488 32.266 -18.142 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 23.174 32.487 -17.512 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 22.878 32.450 -18.997 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 60.177 94.550 37.503 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 59.678 94.072 38.166 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 60.954 94.862 37.965 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 44.970 2.919 -3.513 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 44.051 2.905 -3.247 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 45.298 2.048 -3.291 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 38.576 52.727 -5.869 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 38.911 53.025 -5.024 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 39.055 51.917 -6.045 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 46.442 56.682 52.795 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 45.839 56.719 52.052 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 45.933 57.017 53.533 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 58.312 82.445 57.773 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 57.697 82.423 57.039 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 58.359 81.537 58.073 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 28.623 21.232 12.925 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 29.553 21.013 12.883 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 28.597 22.091 13.348 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 69.134 28.545 65.320 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 69.886 28.255 64.803 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 69.202 29.500 65.326 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 56.169 17.623 14.291 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 55.588 17.353 13.580 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 55.581 17.949 14.972 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 62.524 74.224 64.831 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 62.331 73.684 64.064 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 62.246 73.691 65.576 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 87.104 30.868 54.505 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 87.408 30.247 55.166 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 86.665 31.556 55.005 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 68.431 11.203 67.226 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 68.373 11.240 66.271 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 67.541 11.382 67.527 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 58.932 74.273 36.544 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 58.056 74.657 36.516 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 58.858 73.469 36.030 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 35.447 82.240 64.525 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 34.748 82.423 65.152 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 35.292 82.853 63.807 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 62.309 80.302 15.567 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 62.293 81.235 15.355 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 61.496 79.958 15.197 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 24.253 93.852 26.815 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 25.168 94.071 26.639 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 24.150 92.962 26.480 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 28.792 59.724 60.166 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 29.457 60.399 60.031 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 28.937 59.420 61.062 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 30.363 84.215 46.813 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 29.959 83.380 46.577 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 29.645 84.735 47.176 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 57.954 72.358 65.594 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 57.729 72.685 66.465 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 57.669 73.050 64.997 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 75.225 81.698 60.540 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 74.452 81.530 61.079 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 75.960 81.649 61.151 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 21.379 4.248 8.243 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 21.225 3.534 8.862 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 20.808 4.050 7.501 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 40.619 94.624 31.783 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 40.886 95.035 32.605 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 41.170 95.038 31.118 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 64.637 57.889 60.175 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 64.065 58.210 59.478 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 64.931 58.679 60.627 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 73.860 93.920 66.098 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 73.363 93.887 66.915 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 74.364 94.732 66.156 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 37.466 54.437 50.329 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 37.302 54.964 51.111 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 38.420 54.380 50.273 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 56.975 91.871 28.140 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 57.128 92.765 27.831 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 57.550 91.329 27.601 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 84.134 92.523 19.062 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 83.822 91.619 19.029 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 83.624 92.927 19.764 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 47.151 36.438 50.408 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 46.420 36.991 50.133 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 47.138 35.701 49.797 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 69.877 13.609 47.092 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 69.996 14.312 46.454 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 70.766 13.361 47.345 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 25.775 90.629 -13.858 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 25.734 89.684 -14.005 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 26.709 90.817 -13.758 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 67.198 9.630 8.140 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 68.147 9.745 8.180 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 66.958 9.316 9.012 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 45.610 57.509 12.532 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 45.842 58.437 12.486 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 44.841 57.483 13.102 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 64.974 72.594 14.528 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 64.896 71.809 13.987 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 65.498 72.316 15.280 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 21.022 11.144 1.613 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 21.624 11.617 1.038 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 21.209 11.483 2.488 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 63.738 81.510 12.831 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 63.911 82.009 12.032 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 63.324 80.703 12.526 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 25.411 13.743 8.859 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 25.834 14.106 8.080 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 26.128 13.599 9.476 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 89.052 56.768 44.280 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 89.363 57.360 43.595 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 89.814 56.630 44.843 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 61.521 59.539 59.928 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 61.846 60.231 60.504 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 60.569 59.576 60.023 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 85.853 53.248 29.560 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 85.677 54.110 29.182 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 86.402 53.428 30.323 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 86.551 70.174 13.727 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 87.229 69.971 14.372 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 86.978 70.048 12.880 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 66.197 33.828 33.721 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 65.551 34.510 33.534 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 65.723 33.007 33.592 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 30.974 39.897 30.499 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 30.039 40.100 30.485 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 31.135 39.448 29.669 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 62.282 76.901 -10.074 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 63.206 76.730 -9.890 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 61.820 76.586 -9.297 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 28.887 38.023 -9.223 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 29.299 37.844 -8.378 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 28.270 38.732 -9.044 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 82.078 49.598 58.929 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 82.082 50.392 59.464 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 82.646 48.988 59.400 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 86.659 83.405 35.641 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 86.507 83.079 36.528 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 85.849 83.208 35.170 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 31.993 57.488 51.725 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 31.456 58.280 51.729 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 32.664 57.649 52.388 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 73.123 2.686 15.237 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 72.575 2.093 14.723 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 74.020 2.433 15.019 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 33.123 52.660 63.664 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 33.982 53.030 63.868 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 32.592 53.413 63.406 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 31.404 9.689 48.139 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 31.252 9.102 47.398 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 31.967 9.190 48.729 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 22.454 74.985 23.321 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 21.803 74.521 22.794 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 22.827 74.310 23.889 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 74.311 49.278 -2.796 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 75.040 49.325 -2.178 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 74.077 50.191 -2.962 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 65.672 3.493 41.708 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 65.386 3.524 40.795 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 65.480 4.367 42.049 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 27.129 66.223 41.326 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 27.638 66.804 40.760 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 26.920 65.471 40.773 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 66.025 89.047 55.803 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 65.382 89.612 55.374 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 66.675 88.865 55.124 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 69.723 49.136 61.017 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 68.965 49.482 61.489 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 69.790 49.684 60.235 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 26.818 16.203 39.714 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 27.225 15.358 39.903 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 27.407 16.617 39.083 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 74.357 72.585 25.377 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 73.908 73.431 25.358 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 74.280 72.293 26.285 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 75.069 81.384 -3.640 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 74.862 81.637 -2.740 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 74.938 80.436 -3.659 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 30.082 56.986 -7.884 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 29.548 57.504 -7.282 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 30.767 56.608 -7.333 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 45.724 55.436 -0.326 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 44.829 55.725 -0.149 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 45.992 54.982 0.473 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 43.911 10.824 55.924 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 43.829 10.698 54.979 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 44.234 9.984 56.251 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 65.772 0.775 33.172 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 64.829 0.769 33.004 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 65.969 1.682 33.404 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 34.540 48.769 -15.469 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 35.294 48.241 -15.206 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 34.386 49.354 -14.728 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 29.001 84.634 -11.941 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 29.667 84.939 -12.557 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 29.475 84.055 -11.344 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 60.809 57.886 52.814 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 61.569 57.303 52.815 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 60.056 57.297 52.768 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 70.655 38.060 1.761 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 70.545 37.309 2.345 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 71.337 38.588 2.177 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 88.838 63.438 -8.065 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 89.319 64.215 -8.348 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 89.313 62.705 -8.456 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 38.694 38.759 54.703 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 39.380 39.425 54.748 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 38.163 38.908 55.485 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 39.794 65.733 55.057 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 39.697 65.700 56.008 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 40.656 65.351 54.890 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 84.175 60.387 61.696 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 83.417 60.686 62.199 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 84.895 60.941 61.996 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 79.422 15.213 48.423 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 79.459 14.294 48.157 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 80.138 15.631 47.943 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 34.130 49.628 -12.774 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 34.198 50.579 -12.863 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 33.632 49.498 -11.967 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 61.198 82.294 43.122 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 61.602 82.142 42.268 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 61.895 82.114 43.753 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 21.969 0.649 44.900 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 22.841 0.322 45.121 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 21.490 0.635 45.729 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 73.002 59.308 -18.581 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 72.125 58.945 -18.455 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 73.593 58.611 -18.297 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 36.506 44.917 -4.294 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 36.772 45.777 -3.969 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 36.286 45.065 -5.214 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 72.553 72.045 40.247 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 71.995 72.813 40.370 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 71.998 71.416 39.788 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 79.354 85.281 16.863 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 79.661 85.312 17.769 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 78.680 84.601 16.861 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 47.968 70.449 28.557 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 48.060 70.173 29.469 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 48.420 69.771 28.055 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 72.077 68.742 50.225 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 72.524 68.276 49.518 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 71.381 69.232 49.788 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 65.474 84.516 47.571 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 65.741 85.434 47.525 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 65.103 84.331 46.708 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 79.003 70.360 44.051 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 79.216 70.019 43.183 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 79.450 71.205 44.094 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 26.445 92.360 35.306 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 27.055 93.090 35.410 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 26.619 91.793 36.057 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 62.733 11.438 -9.115 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 62.906 10.718 -9.722 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 61.944 11.171 -8.645 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 72.399 81.893 66.122 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 71.868 81.487 65.437 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 71.914 82.681 66.367 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 86.122 24.117 -3.745 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 85.534 23.746 -4.403 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 86.448 24.924 -4.143 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 45.079 79.020 40.241 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 44.908 79.863 39.821 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 44.210 78.657 40.411 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 70.582 79.859 -15.274 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 70.868 78.952 -15.160 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 71.088 80.353 -14.629 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 73.718 38.939 21.079 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 73.299 39.799 21.107 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 74.071 38.873 20.191 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 47.700 43.059 50.267 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 47.772 43.425 51.149 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 47.723 43.822 49.689 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 70.021 95.598 14.772 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 70.317 94.937 15.398 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 70.824 96.038 14.491 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 73.378 68.747 37.708 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 72.814 68.882 36.947 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 73.894 69.550 37.771 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 43.840 94.895 51.974 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 43.289 95.159 51.237 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 43.695 93.952 52.056 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 79.537 87.627 40.681 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 79.268 88.426 41.134 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 78.779 87.046 40.746 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 71.960 41.634 -2.512 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 72.085 40.953 -3.173 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 71.062 41.507 -2.204 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 86.843 86.472 66.996 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 86.384 85.660 66.782 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 87.746 86.202 67.162 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 47.089 78.530 37.057 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 47.701 78.142 37.683 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 47.114 77.943 36.301 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 21.446 12.489 -14.243 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 21.104 12.196 -15.088 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 22.084 11.819 -13.997 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 38.543 75.846 58.833 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 39.122 76.583 58.639 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 38.722 75.211 58.139 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 28.650 61.070 -0.127 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 28.312 61.342 0.726 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 29.602 61.101 -0.029 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 49.815 63.709 54.031 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 49.111 63.672 53.383 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 50.511 63.166 53.660 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 22.421 55.896 66.379 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 21.850 56.523 65.937 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 21.919 55.609 67.142 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 43.049 86.444 -16.130 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 42.232 85.947 -16.186 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 43.716 85.786 -15.933 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 85.147 4.617 44.433 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 85.201 3.745 44.042 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 85.494 4.505 45.318 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 25.650 92.895 -3.731 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 26.470 92.456 -3.504 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 25.105 92.205 -4.110 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 39.327 80.906 42.732 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 39.843 81.705 42.626 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 39.803 80.244 42.230 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 62.403 0.491 35.739 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 61.923 -0.061 35.122 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 62.181 1.386 35.482 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 70.446 24.427 52.543 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 70.279 24.686 51.636 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 71.087 23.720 52.477 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 80.273 53.939 9.434 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 79.626 53.594 10.049 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 79.760 54.438 8.799 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 50.242 47.768 43.763 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 49.908 48.315 43.052 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 49.495 47.228 44.021 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 31.049 35.449 35.042 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 31.510 34.649 34.787 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 30.990 35.960 34.235 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 47.958 69.977 49.612 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 48.333 69.128 49.380 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 48.544 70.617 49.207 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 27.552 70.917 -14.779 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 26.808 71.272 -14.293 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 28.286 70.973 -14.168 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 84.525 69.401 -16.881 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 84.104 69.345 -16.024 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 83.943 68.916 -17.467 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 89.032 58.754 -7.823 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 89.172 57.860 -7.510 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 88.729 59.234 -7.052 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 24.948 43.382 56.626 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 24.719 44.291 56.431 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 24.164 43.021 57.040 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 84.993 80.883 -15.617 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 85.600 80.555 -14.953 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 84.136 80.858 -15.192 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 43.990 71.066 -1.362 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 43.868 70.162 -1.651 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 44.615 71.005 -0.640 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 90.006 86.360 -17.265 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 89.768 87.186 -16.845 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 90.798 86.077 -16.807 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 77.543 9.363 65.676 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 77.635 8.704 64.989 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 76.614 9.345 65.904 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 41.617 93.313 35.933 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 41.704 93.926 35.203 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 41.142 92.568 35.566 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 81.885 51.044 6.603 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 82.317 51.609 7.243 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 82.115 51.422 5.754 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 24.829 41.831 -6.116 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 23.883 41.803 -6.255 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 25.200 41.432 -6.903 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 65.668 48.315 56.208 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 65.016 48.576 56.859 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 65.590 48.970 55.514 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 45.277 5.961 41.042 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 45.553 5.057 40.886 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 45.904 6.491 40.549 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 78.005 82.566 30.831 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 77.256 82.296 30.299 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 77.737 83.400 31.217 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 62.283 63.945 -17.676 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 62.455 63.384 -18.432 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 61.328 63.977 -17.614 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 79.128 18.479 43.087 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 79.786 17.970 43.561 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 79.087 18.071 42.222 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 80.341 60.994 35.737 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 80.919 61.233 36.462 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 79.735 61.731 35.660 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 63.764 42.879 27.058 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 64.110 43.479 27.719 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 62.863 43.169 26.919 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 23.970 67.415 -13.524 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 24.898 67.649 -13.571 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 23.808 66.917 -14.325 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 79.034 64.992 47.137 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 79.111 64.090 47.449 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 79.028 64.915 46.183 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 71.397 77.297 -2.047 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 70.619 76.740 -2.072 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 71.724 77.213 -1.152 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 67.305 11.758 51.129 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 66.830 10.927 51.153 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 67.462 11.918 50.198 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 26.292 82.020 44.899 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 26.928 82.085 45.611 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 26.583 81.267 44.385 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 47.577 74.366 56.274 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 47.807 73.627 55.710 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 47.607 75.128 55.695 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 67.125 25.809 32.821 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 66.806 25.574 31.949 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 67.937 25.312 32.921 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 75.650 5.344 33.860 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 76.342 5.034 33.275 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 75.720 4.783 34.633 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 86.202 94.412 34.527 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 86.105 94.593 33.593 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 86.108 93.462 34.598 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 33.116 78.417 -19.167 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 32.339 78.129 -18.689 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 33.600 78.953 -18.538 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 83.527 14.601 -1.247 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 83.557 14.635 -0.291 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 82.713 14.136 -1.445 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 86.430 94.336 15.284 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 86.971 93.564 15.453 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 85.532 94.004 15.280 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 82.359 83.120 -10.088 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 81.730 83.611 -9.559 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 83.148 83.082 -9.548 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 56.843 74.447 -10.025 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 57.067 75.374 -10.097 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 55.938 74.441 -9.714 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 61.901 95.157 41.567 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 62.746 95.136 41.118 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 61.486 94.326 41.337 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 80.844 38.462 40.471 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 80.433 38.998 41.149 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 81.579 38.037 40.914 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 83.338 62.081 50.704 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 83.464 61.133 50.743 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 83.445 62.374 51.609 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 64.719 74.394 50.768 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 64.401 74.651 49.902 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 65.612 74.738 50.807 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 66.940 3.265 16.574 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 67.666 3.289 17.197 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 66.170 3.075 17.111 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 41.368 11.181 66.867 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 41.478 11.834 67.558 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 41.852 11.536 66.122 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 31.802 46.071 13.859 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 32.203 45.489 13.213 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 32.505 46.257 14.482 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 62.383 28.139 -14.938 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 62.619 29.023 -14.657 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 61.584 27.938 -14.451 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 78.575 30.412 56.391 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 78.520 29.626 55.846 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 78.123 30.175 57.200 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 55.472 20.132 -15.379 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 55.950 19.400 -14.990 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 55.813 20.906 -14.930 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 70.563 9.534 42.507 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 70.035 9.944 43.193 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 69.966 9.448 41.764 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 33.087 68.947 47.974 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 32.489 68.229 48.183 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 32.931 69.126 47.047 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 20.793 85.485 55.344 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 21.272 85.681 56.149 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 20.884 86.275 54.811 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 41.547 81.101 -5.283 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 41.881 81.338 -4.418 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 42.044 81.647 -5.891 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 85.395 7.170 -17.041 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 86.118 7.263 -16.422 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 84.607 7.288 -16.510 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 52.121 62.578 -10.649 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 51.944 62.072 -9.856 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 51.601 62.150 -11.329 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 54.935 68.617 -8.384 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 54.496 68.809 -7.555 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 54.595 67.761 -8.643 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 44.549 52.770 48.541 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 44.896 52.094 47.959 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 44.376 52.313 49.364 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 68.351 71.168 23.556 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 67.666 71.505 22.978 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 68.885 70.608 22.993 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 26.413 11.788 -13.111 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 25.647 11.829 -13.682 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 26.083 11.416 -12.293 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 75.408 77.548 21.898 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 74.702 76.941 22.121 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 76.147 76.984 21.671 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 29.257 10.489 11.383 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 28.475 10.850 11.802 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 28.952 10.185 10.528 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 26.570 44.842 52.489 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 27.400 44.368 52.537 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 26.641 45.368 51.692 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 61.247 95.552 -6.807 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 61.706 95.734 -5.987 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 61.933 95.253 -7.404 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 73.497 80.764 40.204 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 73.446 80.321 39.357 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 72.584 80.868 40.475 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 55.725 71.813 59.058 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 55.297 70.985 59.275 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 56.633 71.573 58.875 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 72.567 4.578 1.228 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 72.950 4.780 0.375 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 72.244 5.420 1.551 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 71.452 90.753 45.670 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 71.630 91.508 45.110 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 71.048 91.126 46.454 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 34.101 65.116 3.856 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 33.678 65.961 4.009 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 34.225 64.748 4.731 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 73.788 94.868 42.851 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 74.177 95.742 42.874 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 73.672 94.681 41.919 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 64.990 0.873 36.645 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 64.714 1.790 36.623 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 64.528 0.466 35.912 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 59.263 47.421 57.695 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 59.766 48.236 57.701 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 58.474 47.630 57.195 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 22.534 82.611 -18.448 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 21.944 82.471 -19.188 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 22.682 81.736 -18.089 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 86.103 36.204 35.433 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 86.315 36.575 34.576 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 86.952 35.980 35.814 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 77.432 65.875 -16.210 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 77.223 65.809 -15.279 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 77.008 66.685 -16.495 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 64.996 1.322 53.885 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 65.035 0.366 53.884 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 64.574 1.545 54.714 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 55.723 93.266 -0.461 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 55.228 93.815 0.147 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 56.003 92.517 0.064 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 89.656 8.879 -2.888 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 89.031 9.605 -2.881 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 90.388 9.188 -2.354 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 26.106 94.310 43.776 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 25.964 94.154 42.842 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 25.400 94.904 44.030 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 84.034 86.957 -19.253 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 84.981 87.091 -19.298 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 83.835 86.398 -20.005 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 21.650 86.339 31.257 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 20.696 86.296 31.186 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 21.816 86.447 32.194 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 53.276 4.652 28.289 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 52.524 5.010 28.761 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 53.418 5.263 27.566 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 41.739 28.373 45.676 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 41.026 28.924 45.353 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 42.536 28.836 45.418 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 82.480 8.020 3.620 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 82.866 7.650 2.825 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 81.904 7.330 3.950 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 23.939 45.154 0.417 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 24.668 45.311 1.017 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 23.238 44.816 0.974 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 22.307 60.206 41.753 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 21.856 61.050 41.772 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 23.237 60.430 41.787 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 22.124 52.175 -2.933 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 22.994 52.538 -3.102 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 21.563 52.941 -2.818 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 61.574 38.737 0.271 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 61.904 38.015 0.806 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 60.718 38.438 -0.034 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 43.942 63.219 48.754 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 44.149 64.128 48.541 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 44.290 62.714 48.019 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 70.933 95.633 -15.699 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 70.758 95.806 -14.774 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 71.276 94.739 -15.715 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 77.339 39.580 39.176 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 78.189 40.016 39.121 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 77.435 38.798 38.632 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 52.375 30.938 48.111 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 52.307 30.227 47.473 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 53.279 31.244 48.033 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 88.770 50.401 -12.100 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 88.583 49.473 -12.242 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 89.290 50.661 -12.860 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 56.663 62.920 36.390 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 56.453 62.100 36.837 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 55.921 63.070 35.804 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 70.164 75.818 -17.445 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 69.496 75.178 -17.692 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 70.947 75.295 -17.276 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 69.298 83.639 29.064 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 68.487 84.062 28.782 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 69.432 82.931 28.433 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 39.271 73.642 60.408 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 38.950 74.452 60.010 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 39.901 73.932 61.067 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 34.385 53.331 13.043 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 35.153 53.835 12.775 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 34.033 53.810 13.793 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 38.952 79.806 18.801 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 39.859 79.704 19.090 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 38.784 79.035 18.258 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 63.420 78.547 22.105 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 64.152 77.983 21.855 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 62.805 77.962 22.548 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 47.390 94.168 -16.457 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 46.537 94.272 -16.879 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 48.000 94.024 -17.181 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 67.565 47.170 34.917 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 68.517 47.162 34.819 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 67.257 47.755 34.224 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 30.410 84.260 10.851 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 31.189 83.765 10.595 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 29.807 84.155 10.115 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 25.149 73.046 45.967 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 24.669 73.286 46.759 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 26.071 73.095 46.220 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 26.377 52.022 40.325 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 25.420 52.041 40.284 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 26.579 52.143 41.253 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 63.423 38.642 26.861 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 62.784 39.168 26.380 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 64.273 38.970 26.568 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 29.885 41.344 55.812 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 30.527 41.322 55.103 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 29.149 41.840 55.454 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 62.830 53.921 -8.676 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 62.710 54.810 -8.343 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 62.576 53.355 -7.947 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 73.654 67.577 44.522 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 74.061 66.749 44.265 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 74.387 68.127 44.800 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 25.188 87.153 46.192 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 26.005 86.984 45.723 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 24.961 88.054 45.960 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 78.655 92.833 43.390 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 78.748 93.526 42.737 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 79.553 92.621 43.645 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 58.809 81.669 38.967 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 58.622 81.707 38.029 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 59.364 80.896 39.070 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 27.734 79.181 47.314 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 28.167 78.732 48.040 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 27.349 79.963 47.710 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 86.579 85.706 42.564 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 85.728 85.960 42.206 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 86.419 85.590 43.501 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 55.939 13.962 63.848 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 56.082 13.023 63.969 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 55.191 14.016 63.254 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 43.426 76.681 1.332 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 43.413 77.186 2.145 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 43.865 75.863 1.564 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 79.707 69.728 -4.835 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 79.358 70.573 -5.118 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 79.549 69.708 -3.891 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 84.568 45.384 5.591 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 84.034 44.592 5.657 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 85.468 45.062 5.531 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 26.971 20.667 -18.935 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 27.205 20.840 -19.847 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 26.744 19.738 -18.917 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 43.164 68.993 33.596 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 43.303 68.152 33.161 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 44.004 69.190 34.010 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 59.070 41.988 -17.260 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 59.093 42.927 -17.446 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 59.971 41.768 -17.025 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 22.041 70.556 21.350 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 21.326 69.920 21.347 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 22.713 70.159 21.904 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 73.489 55.637 17.047 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 72.566 55.885 17.090 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 73.477 54.692 16.897 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 64.936 76.002 33.670 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 64.381 75.398 33.177 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 64.474 76.131 34.498 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 24.446 16.476 59.576 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 24.473 15.674 59.054 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 24.808 16.222 60.424 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 58.800 90.182 -16.392 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 58.053 89.596 -16.510 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 58.935 90.576 -17.254 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 23.549 18.985 58.606 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 23.683 18.106 58.960 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 24.320 19.145 58.062 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 48.149 55.614 64.450 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 47.461 56.279 64.478 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 48.960 56.112 64.345 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 30.764 81.270 57.130 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 30.702 81.454 56.193 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 31.142 80.392 57.178 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 66.282 24.059 12.698 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 65.922 24.033 13.584 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 65.532 23.888 12.129 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 41.395 12.231 3.624 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 42.017 11.863 4.253 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 41.531 13.177 3.677 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 33.461 84.575 2.519 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 33.418 83.619 2.509 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 34.216 84.787 1.970 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 34.996 38.396 -15.108 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 35.283 37.741 -14.471 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 34.924 39.206 -14.604 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 43.011 50.908 2.150 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 42.319 50.421 2.597 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 43.578 51.221 2.855 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 27.959 8.276 43.168 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 27.700 8.944 42.533 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 28.304 8.772 43.910 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 43.819 77.922 59.418 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 44.558 77.539 59.891 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 43.891 77.566 58.532 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 55.801 80.444 31.740 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 55.592 80.444 30.806 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 55.722 79.527 32.004 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 42.802 83.291 -6.341 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 43.204 83.674 -5.561 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 42.219 83.975 -6.671 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 65.482 76.873 21.895 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 66.385 76.578 21.783 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 65.066 76.183 22.412 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 30.380 51.987 26.662 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 31.159 51.432 26.612 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 30.622 52.783 26.189 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 29.623 67.120 54.160 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 29.215 66.403 54.646 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 29.177 67.121 53.313 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 22.712 57.836 52.721 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 22.124 58.587 52.637 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 23.482 58.076 52.205 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 45.130 10.262 58.824 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 45.516 11.123 58.667 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 45.878 9.694 59.008 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 44.367 23.686 -16.775 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 43.975 24.556 -16.853 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 43.740 23.102 -17.204 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 49.523 12.850 4.183 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 49.208 12.117 4.712 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 50.451 12.663 4.043 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 68.592 89.628 8.321 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 67.887 90.041 8.820 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 68.214 89.472 7.455 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 28.671 73.133 21.418 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 28.854 72.449 20.774 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 28.908 72.740 22.258 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 23.759 47.273 59.317 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 23.611 47.346 58.374 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 24.134 46.399 59.434 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 63.622 90.659 -3.594 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 62.826 90.825 -3.090 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 64.153 90.099 -3.028 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 38.154 13.195 10.645 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 37.829 12.295 10.670 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 39.061 13.114 10.350 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 51.314 15.303 49.419 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 51.882 14.613 49.762 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 51.113 15.026 48.525 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 31.653 95.444 39.452 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 32.436 94.970 39.731 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 31.908 95.865 38.631 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 70.593 61.257 -13.795 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 69.828 61.320 -14.367 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 71.061 60.481 -14.105 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 69.221 15.572 42.702 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 68.602 15.529 43.431 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 69.820 14.841 42.853 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 49.653 23.860 1.641 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 48.841 23.689 2.117 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 50.236 24.249 2.294 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 56.029 87.019 10.837 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 55.985 87.637 10.107 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 55.749 87.525 11.599 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 47.696 84.684 -16.661 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 46.915 84.936 -16.168 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 47.969 83.854 -16.270 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 77.275 95.060 33.121 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 77.718 94.359 33.599 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 76.519 95.280 33.665 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 75.749 69.521 66.135 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 75.409 70.298 65.692 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 75.875 69.798 67.042 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 23.811 39.801 52.739 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 23.432 39.625 53.600 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 24.715 40.056 52.923 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 31.385 38.131 61.713 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 32.241 37.850 62.035 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 31.181 37.516 61.008 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 32.154 3.923 -4.981 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 32.892 3.366 -5.228 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 32.549 4.638 -4.482 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 27.610 57.501 2.469 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 27.512 56.557 2.342 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 27.494 57.630 3.410 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 84.774 19.525 34.706 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 84.860 20.317 35.237 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 84.813 19.838 33.802 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 39.060 39.392 -11.772 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 39.270 39.540 -12.694 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 38.688 40.222 -11.474 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 65.959 50.230 9.599 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 65.517 50.973 10.010 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 65.923 49.536 10.257 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 24.218 30.355 28.617 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 24.405 30.865 27.828 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 24.977 30.499 29.181 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 70.527 93.477 43.900 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 69.836 93.967 43.456 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 71.026 93.070 43.192 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 79.437 52.626 36.737 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 79.315 53.520 36.417 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 80.386 52.506 36.757 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 66.785 15.900 10.738 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 67.157 16.020 11.612 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 67.523 16.033 10.143 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 88.118 58.839 -17.245 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 87.735 58.021 -16.930 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 87.427 59.241 -17.771 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 24.631 8.637 -15.354 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 23.983 8.010 -15.674 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 24.958 8.252 -14.541 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 27.505 86.688 44.706 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 27.728 85.770 44.864 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 28.344 87.108 44.514 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 37.809 52.718 12.866 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 38.090 51.961 13.380 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 37.565 53.374 13.520 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 60.468 84.952 46.427 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 60.123 85.807 46.173 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 60.007 84.330 45.863 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 60.652 8.112 -15.284 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 61.125 8.934 -15.153 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 60.768 7.914 -16.213 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 72.919 91.591 59.439 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 72.254 90.902 59.436 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 72.644 92.188 60.134 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 33.024 83.147 60.950 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 33.308 82.267 60.705 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 33.685 83.448 61.573 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 59.168 33.821 5.690 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 58.279 34.019 5.984 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 59.539 34.671 5.454 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 39.700 0.983 -19.862 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 40.230 1.759 -20.043 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 39.122 1.249 -19.146 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 69.770 92.835 7.985 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 68.852 93.101 7.924 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 70.024 92.643 7.082 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 69.028 96.658 45.290 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 68.173 96.379 45.618 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 69.161 96.141 44.496 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 48.372 79.690 23.675 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 47.614 80.266 23.771 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 48.009 78.805 23.728 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 64.211 49.763 60.641 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 64.434 50.694 60.653 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 63.857 49.612 59.765 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 78.394 19.390 61.337 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 78.001 19.350 60.465 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 79.265 19.760 61.191 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 84.311 69.517 -1.707 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 84.561 68.808 -2.299 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 84.278 69.107 -0.842 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 41.271 32.792 56.203 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 40.698 32.199 56.689 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 41.435 33.516 56.808 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 23.582 45.571 -11.779 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 22.780 45.293 -12.222 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 23.839 46.374 -12.231 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 29.108 88.841 55.989 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 30.035 89.081 56.002 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 28.723 89.334 56.714 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 42.562 41.672 -3.013 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 43.386 42.146 -3.130 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 42.752 40.783 -3.313 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 65.875 6.643 15.889 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 65.924 7.592 16.005 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 66.755 6.390 15.608 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 55.436 4.507 -1.348 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 54.706 4.132 -1.842 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 55.970 4.949 -2.008 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 66.712 27.647 12.891 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 67.074 28.526 12.781 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 66.658 27.527 13.839 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 71.058 65.466 24.166 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 70.804 65.148 23.300 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 71.949 65.138 24.291 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 75.717 44.615 -10.669 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 75.959 45.327 -11.262 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 76.284 44.734 -9.907 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 23.447 75.929 56.018 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 23.262 75.043 56.327 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 22.722 76.456 56.352 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 67.965 45.526 -4.445 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 67.424 46.108 -3.912 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 68.535 45.084 -3.816 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 58.586 22.286 31.658 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 59.371 22.665 32.054 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 58.477 22.764 30.836 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 73.941 21.087 34.135 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 74.831 21.372 33.929 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 73.418 21.887 34.096 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 88.363 81.091 14.002 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 87.946 80.429 14.554 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 87.658 81.416 13.443 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 21.816 46.864 -14.640 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 21.631 46.405 -13.820 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 22.047 46.170 -15.257 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 37.795 90.894 23.881 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 37.414 91.548 24.467 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 37.774 90.079 24.384 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 44.431 21.783 56.240 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 44.256 22.315 55.464 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 44.734 22.411 56.897 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 34.714 48.031 -0.760 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 35.429 48.190 -1.377 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 34.873 48.647 -0.045 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 25.885 57.126 15.408 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 26.756 57.443 15.649 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 26.049 56.456 14.745 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 29.796 37.452 13.142 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 29.943 37.290 12.210 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 30.337 38.215 13.341 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 72.652 48.235 53.971 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 72.525 47.420 53.487 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 71.775 48.611 54.043 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 60.143 1.872 31.984 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 61.082 1.806 31.810 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 59.745 1.220 31.408 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 78.359 89.007 54.056 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 77.776 88.914 54.809 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 79.153 88.535 54.307 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 49.365 41.626 35.227 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 49.004 41.001 34.598 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 48.833 42.413 35.115 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 59.319 91.231 36.754 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 59.466 90.333 37.052 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 58.965 91.683 37.520 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 49.788 35.028 -12.329 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 50.103 34.442 -11.641 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 50.274 35.842 -12.191 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 63.139 71.463 2.646 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 63.338 71.281 3.564 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 62.271 71.866 2.664 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 88.318 89.709 60.059 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 88.918 89.662 59.315 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 87.673 89.023 59.891 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 36.861 61.863 13.534 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 37.664 62.382 13.567 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 36.470 61.971 14.401 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 51.038 5.025 13.129 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 50.224 5.355 13.510 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 51.458 5.799 12.754 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 82.032 70.779 -8.020 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 81.297 71.364 -7.836 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 81.658 70.088 -8.567 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 52.853 56.195 54.925 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 52.026 55.988 54.489 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 52.890 57.151 54.928 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 84.994 45.166 64.541 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 84.426 44.502 64.931 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 85.843 45.034 64.962 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 74.637 79.955 21.166 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 74.075 80.018 21.938 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 74.859 79.026 21.106 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 42.501 83.292 12.123 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 43.100 82.604 11.833 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 41.674 82.836 12.284 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 64.325 41.524 61.729 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 64.057 41.814 62.601 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 63.672 41.900 61.140 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 37.510 20.816 8.205 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 38.040 20.325 8.833 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 36.988 21.410 8.745 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 48.375 41.343 20.354 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 48.298 42.178 19.892 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 49.107 40.899 19.927 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 65.885 51.030 1.557 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 65.096 50.526 1.358 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 66.000 50.932 2.502 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 75.047 96.001 -19.328 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 74.198 96.412 -19.166 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 75.682 96.706 -19.208 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 39.538 48.817 18.807 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 40.012 49.643 18.908 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 40.135 48.154 19.154 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 87.474 92.333 -0.326 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 87.148 92.952 -0.980 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 86.902 92.461 0.431 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 21.653 68.294 -12.161 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 22.534 68.013 -12.408 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 21.792 69.059 -11.603 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 81.697 11.124 49.162 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 81.116 10.417 48.882 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 82.118 10.789 49.954 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 49.514 54.457 -6.892 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 50.130 54.428 -6.160 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 49.012 53.646 -6.815 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 83.727 48.499 35.075 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 83.024 49.138 35.193 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 83.478 47.762 35.634 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 37.994 49.773 1.439 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 38.470 50.603 1.408 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 38.555 49.194 1.955 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 45.471 47.112 34.290 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 46.186 46.676 34.754 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 45.226 46.499 33.597 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 87.135 7.051 66.939 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 86.412 7.661 67.082 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 87.044 6.778 66.026 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 86.708 38.757 52.438 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 86.254 39.423 51.923 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 87.272 39.255 53.030 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 27.246 4.468 48.606 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 27.858 3.978 49.155 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 26.382 4.153 48.870 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 66.219 55.307 -4.482 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 66.440 55.077 -3.579 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 67.064 55.459 -4.905 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 65.958 36.749 6.396 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 65.500 36.564 7.215 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 65.264 36.980 5.779 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 27.990 59.964 -4.344 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 28.238 60.874 -4.177 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 27.390 59.744 -3.631 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 84.851 58.679 23.150 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 84.542 58.861 22.263 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 84.371 57.894 23.414 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 72.528 32.585 61.389 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 71.888 33.289 61.282 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 72.689 32.270 60.499 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 75.262 1.817 31.895 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 74.599 2.476 31.691 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 74.773 1.103 32.304 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 25.961 46.053 2.466 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 25.906 46.930 2.089 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 25.721 46.171 3.385 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 54.907 76.695 53.306 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 54.470 76.619 52.458 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 54.412 76.114 53.884 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 33.272 16.083 34.355 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 33.811 16.125 33.566 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 33.375 16.942 34.763 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 40.703 21.025 30.258 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 41.538 20.865 29.817 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 40.908 21.679 30.927 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 55.975 32.126 40.397 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 55.352 32.718 40.818 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 56.593 32.705 39.951 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 40.743 23.630 33.285 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 40.811 24.108 32.459 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 41.512 23.060 33.297 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 60.992 26.897 -5.964 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 60.898 26.699 -5.033 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 60.094 26.933 -6.294 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 27.340 87.807 49.855 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 26.889 88.603 49.575 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 27.703 88.025 50.713 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 55.816 80.322 4.646 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 56.460 79.635 4.822 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 55.824 80.866 5.433 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 29.527 44.446 33.356 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 28.811 44.698 32.772 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 29.970 43.732 32.897 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 71.512 45.715 58.720 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 71.993 46.385 58.233 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 71.403 46.087 59.595 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 89.248 79.833 -16.791 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 88.359 79.597 -17.055 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 89.139 80.272 -15.947 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 26.280 63.377 28.566 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 26.819 64.114 28.276 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 25.380 63.688 28.475 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 38.430 41.976 -10.815 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 37.590 42.276 -11.161 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 39.043 42.681 -11.026 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 36.115 33.249 64.851 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 36.084 32.531 64.219 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 36.074 32.819 65.705 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 66.970 17.498 5.200 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 66.826 17.942 6.035 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 67.472 18.124 4.678 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 55.955 96.282 -13.015 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 55.549 96.366 -13.878 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 55.338 95.751 -12.511 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 81.549 94.267 51.457 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 81.398 94.983 50.841 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 81.733 94.702 52.290 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 40.904 40.087 -1.452 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 41.539 39.527 -1.899 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 40.998 40.941 -1.875 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 74.168 2.900 -8.747 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 74.761 2.729 -9.479 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 74.488 2.336 -8.043 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 82.706 57.690 27.484 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 82.191 58.473 27.682 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 82.169 57.201 26.861 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 78.302 22.828 10.858 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 77.346 22.817 10.900 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 78.584 22.507 11.714 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 73.244 47.690 14.958 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 72.582 48.237 14.534 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 72.867 47.475 15.811 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 51.337 76.110 -13.990 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 50.981 76.945 -13.686 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 52.267 76.150 -13.767 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 76.152 88.536 -14.936 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 76.891 88.860 -15.451 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 75.410 88.560 -15.540 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 77.037 6.106 56.535 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 76.777 5.192 56.415 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 76.776 6.538 55.722 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 27.113 71.857 -17.750 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 27.018 71.628 -16.826 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 27.646 71.152 -18.119 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 34.530 86.410 63.710 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 33.713 85.921 63.809 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 34.396 87.208 64.222 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 37.959 79.568 9.953 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 37.115 80.018 9.925 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 37.864 78.840 9.339 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 59.024 34.384 35.015 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 58.376 33.686 34.915 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 58.588 35.040 35.558 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 89.428 76.437 21.329 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 88.591 76.025 21.114 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 89.724 76.824 20.505 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 23.879 78.234 42.259 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 24.695 78.574 42.625 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 23.937 78.425 41.323 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 78.424 92.314 66.826 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 78.547 92.816 67.632 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 79.114 92.628 66.241 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 25.798 16.685 -7.152 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 26.149 17.385 -6.602 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 26.565 16.323 -7.597 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 86.328 81.515 7.105 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 86.805 80.694 7.228 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 87.002 82.152 6.868 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 26.641 7.365 13.316 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 27.558 7.497 13.077 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 26.662 7.178 14.255 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 72.616 75.081 4.218 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 72.388 74.176 4.008 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 72.435 75.163 5.155 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 55.190 20.991 40.747 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 55.593 21.433 41.495 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 54.426 20.547 41.115 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 77.831 35.498 -0.278 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 77.141 34.993 -0.707 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 78.624 35.289 -0.772 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 83.577 83.315 43.352 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 83.545 84.173 42.929 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 84.153 83.441 44.106 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 22.678 87.818 -0.398 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 23.545 87.758 -0.800 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 22.599 87.017 0.122 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 35.528 28.244 22.102 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 34.572 28.279 22.065 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 35.812 29.104 21.790 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 82.474 83.070 9.546 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 83.160 82.403 9.530 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 81.665 82.578 9.692 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 20.560 79.675 29.193 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 21.159 78.939 29.315 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 20.698 79.950 28.287 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 73.473 82.523 48.263 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 74.007 81.748 48.435 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 74.037 83.260 48.500 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 26.859 2.144 63.401 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 27.652 2.016 63.921 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 26.147 1.866 63.978 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 66.862 45.461 -16.028 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 67.719 45.034 -16.044 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 66.845 45.934 -15.195 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 85.095 66.620 55.343 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 86.047 66.530 55.308 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 84.767 65.908 54.793 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 53.938 8.601 42.223 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 53.388 8.062 42.791 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 53.743 9.501 42.484 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 62.099 36.818 -9.725 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 62.387 36.194 -9.060 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 62.853 36.915 -10.306 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 40.585 6.069 58.051 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 40.229 6.772 57.507 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 40.670 5.324 57.456 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 46.122 28.039 52.221 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 45.623 28.366 51.473 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 46.261 28.809 52.772 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 24.690 91.481 39.622 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 25.373 91.901 39.100 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 25.107 90.696 39.978 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 33.136 27.218 30.656 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 33.642 26.817 29.949 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 33.531 28.082 30.774 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 21.548 40.904 6.646 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 20.889 40.333 7.042 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 21.571 41.674 7.214 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 49.831 34.938 36.529 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 49.206 35.018 35.808 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 50.227 35.806 36.600 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 35.982 31.730 58.110 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 35.302 32.340 57.827 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 36.303 32.093 58.936 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 79.685 25.040 -4.933 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 80.387 24.854 -5.557 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 78.978 24.445 -5.184 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 35.793 85.496 1.206 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 35.881 85.463 0.254 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 36.334 84.772 1.523 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 87.163 73.182 11.823 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 86.806 73.263 12.708 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 87.354 72.249 11.726 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 23.525 62.978 48.361 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 23.887 62.217 47.908 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 22.593 62.779 48.458 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 40.285 2.878 19.557 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 40.944 2.246 19.270 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 39.658 2.358 20.061 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 35.435 41.688 30.222 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 36.320 41.329 30.163 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 35.482 42.522 29.755 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 56.164 81.398 7.142 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 56.695 80.807 7.676 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 55.289 81.349 7.526 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 76.476 28.678 39.820 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 76.714 29.594 39.676 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 75.521 28.685 39.882 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 79.768 74.067 2.546 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 79.021 74.486 2.118 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 79.516 74.013 3.468 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 57.875 81.247 1.137 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 57.523 81.881 0.512 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 57.119 80.721 1.397 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 60.058 23.280 19.064 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 60.242 24.165 18.750 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 59.468 23.407 19.807 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 59.201 37.502 23.946 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 58.442 36.931 24.061 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 58.845 38.298 23.553 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 44.088 49.875 40.895 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 43.647 50.725 40.886 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 44.098 49.601 39.978 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 73.689 60.204 31.296 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 74.590 59.936 31.114 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 73.372 59.566 31.935 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 67.142 55.294 -1.425 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 68.097 55.249 -1.367 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 66.905 56.049 -0.886 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 74.889 55.620 28.891 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 74.655 55.513 27.969 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 74.052 55.603 29.354 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 38.012 85.801 13.871 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 37.719 86.283 14.645 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 37.291 85.887 13.248 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 80.328 58.372 -6.518 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 79.430 58.170 -6.781 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 80.363 59.329 -6.502 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 46.150 77.527 57.331 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 45.714 78.371 57.450 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 47.071 77.704 57.518 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 44.979 93.109 42.716 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 44.386 92.455 42.346 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 45.467 93.443 41.963 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 52.049 3.267 35.841 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 51.670 2.441 35.541 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 52.751 3.006 36.437 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 38.438 11.976 48.574 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 37.806 11.294 48.800 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 38.817 12.239 49.413 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 44.704 46.429 -12.893 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 44.783 46.475 -13.846 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 45.462 46.913 -12.565 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 20.499 31.854 2.238 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 20.186 32.611 2.734 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 21.234 32.191 1.726 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 88.240 6.868 55.203 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 87.578 6.540 55.811 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 88.329 6.176 54.548 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 81.944 91.905 2.562 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 82.177 91.737 1.649 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 82.382 91.209 3.053 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 63.815 26.344 -4.567 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 63.925 27.230 -4.222 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 63.910 25.776 -3.803 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 58.423 27.188 9.755 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 58.376 27.162 10.711 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 58.107 28.061 9.523 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 76.750 49.162 8.796 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 77.623 49.489 9.010 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 76.212 49.400 9.552 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 81.761 50.087 1.128 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 82.085 50.913 0.768 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 80.872 50.008 0.782 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 42.116 62.900 -1.757 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 42.597 62.628 -0.976 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 41.404 62.265 -1.834 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 22.469 93.857 64.844 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 23.392 93.611 64.902 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 22.050 93.116 64.406 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 37.393 47.494 -4.625 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 36.743 47.205 -5.265 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 38.201 47.053 -4.887 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 27.107 77.145 33.304 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 27.351 76.572 34.031 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 27.877 77.152 32.736 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 38.103 62.756 46.135 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 38.845 63.059 45.612 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 38.427 61.973 46.580 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 25.852 62.296 19.717 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 26.701 61.981 20.027 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 26.011 62.565 18.812 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 29.137 1.626 7.709 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 29.256 2.514 8.046 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 29.576 1.631 6.859 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 37.385 80.474 -5.885 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 36.641 79.878 -5.972 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 38.049 79.962 -5.423 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 74.157 61.722 -9.112 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 73.908 62.641 -9.021 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 73.623 61.263 -8.464 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 43.965 83.504 -13.621 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 43.115 83.776 -13.276 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 44.088 82.617 -13.283 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 29.662 22.459 45.617 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 29.546 22.787 46.509 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 30.512 22.803 45.344 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 73.775 62.370 17.846 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 73.357 62.005 17.066 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 73.334 61.940 18.579 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 71.569 79.902 38.181 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 71.454 80.776 37.807 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 71.597 79.318 37.422 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 40.064 44.158 -11.450 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 39.297 44.707 -11.286 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 40.808 44.755 -11.372 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 54.263 73.746 8.361 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 53.334 73.975 8.325 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 54.308 73.025 8.988 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 78.927 7.728 2.911 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 79.135 8.222 2.118 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 78.654 8.392 3.544 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 47.693 32.645 0.790 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 47.617 33.391 1.386 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 47.774 33.039 -0.078 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 74.428 36.228 33.134 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 74.145 36.279 34.046 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 74.853 37.069 32.967 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 89.893 93.414 1.846 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 89.876 92.529 2.211 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 89.385 93.350 1.038 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 74.317 33.448 27.280 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 73.398 33.278 27.071 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 74.802 33.091 26.536 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 21.027 71.678 15.177 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 21.128 72.626 15.095 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 21.109 71.508 16.116 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 88.104 83.714 -13.539 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 87.828 83.854 -12.634 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 89.054 83.829 -13.521 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 35.515 94.822 -4.501 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 35.231 95.122 -3.638 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 34.829 94.216 -4.781 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 25.275 89.684 -1.061 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 25.823 89.749 -0.279 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 24.564 90.307 -0.909 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 58.798 60.917 59.617 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 58.043 60.330 59.666 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 58.417 61.794 59.575 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 63.444 76.137 58.861 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 62.673 76.021 58.306 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 63.911 75.304 58.800 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 20.790 12.401 34.559 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 20.156 12.743 35.190 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 21.433 13.103 34.461 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 62.160 28.735 51.535 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 62.735 28.920 52.277 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 62.739 28.361 50.870 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 62.479 96.429 58.035 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 63.265 96.041 58.419 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 61.766 95.856 58.317 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 42.300 78.326 -10.790 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 43.020 77.827 -11.175 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 41.523 77.794 -10.956 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 58.454 4.210 -19.436 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 58.777 3.509 -18.869 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 59.239 4.555 -19.861 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 32.899 37.802 15.571 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 32.946 38.758 15.552 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 33.419 37.551 16.334 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 80.793 61.245 55.619 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 80.114 60.779 55.130 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 80.311 61.851 56.182 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 84.150 21.523 -1.905 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 84.628 21.914 -2.637 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 84.740 20.849 -1.567 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 51.991 39.284 33.659 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 52.730 38.690 33.525 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 51.476 39.211 32.856 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 61.681 90.529 9.516 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 61.448 89.764 8.989 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 61.142 90.450 10.304 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 26.185 91.816 32.547 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 26.077 91.991 33.482 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 27.100 92.031 32.366 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 29.967 9.276 62.925 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 30.754 9.426 62.403 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 30.154 9.694 63.766 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 26.356 36.082 31.064 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 25.459 36.343 30.855 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 26.902 36.766 30.675 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 41.907 16.113 -6.607 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 41.154 16.000 -6.028 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 42.323 16.921 -6.307 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 72.457 81.135 -10.632 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 71.964 80.340 -10.832 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 71.788 81.811 -10.518 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 22.010 81.713 52.080 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 21.568 82.463 51.682 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 21.690 80.957 51.588 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 69.931 21.397 7.443 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 69.264 21.874 7.938 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 69.611 21.404 6.541 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 76.554 45.584 14.249 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 77.126 44.841 14.057 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 76.984 46.331 13.833 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 30.805 90.263 -15.400 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 30.762 89.411 -14.966 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 31.710 90.551 -15.275 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 71.979 65.862 -2.339 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 71.514 65.920 -1.505 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 72.047 66.768 -2.640 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 62.417 48.736 38.792 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 62.087 49.545 38.400 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 62.758 48.233 38.052 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 67.255 78.295 31.905 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 67.230 77.409 32.267 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 67.286 78.867 32.672 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 68.057 22.834 -17.641 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 68.523 22.324 -18.304 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 67.936 23.694 -18.042 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 57.368 36.970 -16.124 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 57.890 36.799 -15.340 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 56.468 36.779 -15.859 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 80.017 28.478 62.147 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 80.545 28.970 61.518 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 80.305 28.795 63.003 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 74.791 4.220 57.303 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 74.985 3.402 57.761 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 74.582 3.951 56.409 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 28.562 50.952 24.072 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 29.058 51.686 24.435 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 29.161 50.208 24.123 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 25.297 77.645 62.086 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 25.626 78.371 62.617 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 24.941 78.064 61.302 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 49.028 5.984 34.429 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 48.882 5.116 34.804 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 49.948 6.174 34.613 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 26.765 12.536 47.133 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 26.450 12.857 46.288 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 27.106 13.315 47.573 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 35.596 25.832 46.712 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 36.297 26.147 47.283 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 35.097 25.223 47.258 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 25.240 8.953 11.837 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 25.347 9.896 11.964 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 25.812 8.556 12.494 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 41.889 12.033 -15.229 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 42.384 12.426 -14.509 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 42.246 11.149 -15.311 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 63.424 8.369 34.307 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 63.240 7.758 35.020 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 64.344 8.214 34.090 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 77.702 66.391 59.518 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 77.547 65.856 58.739 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 78.262 65.849 60.073 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 89.088 10.328 7.104 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 88.340 9.732 7.083 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 89.090 10.679 7.994 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 60.882 35.689 -17.991 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 60.156 35.562 -18.602 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 60.988 36.639 -17.939 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 21.151 26.378 1.420 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 22.051 26.703 1.453 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 21.117 25.697 2.090 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 37.418 37.572 56.819 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 37.357 38.268 57.473 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 36.604 37.078 56.917 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 83.095 68.538 66.942 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 83.186 68.601 65.992 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 82.349 67.952 67.074 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 20.849 23.086 11.310 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 20.528 22.346 11.826 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 21.753 22.855 11.096 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 87.959 85.839 56.353 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 87.493 86.667 56.240 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 88.563 85.800 55.612 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 43.809 69.263 -15.748 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 43.471 69.992 -15.228 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 43.032 68.761 -15.993 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 70.305 36.794 42.187 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 70.311 37.178 41.310 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 69.861 37.444 42.731 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 80.174 57.344 9.525 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 80.928 56.878 9.887 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 79.657 57.595 10.291 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 36.507 69.442 36.701 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 36.922 70.274 36.930 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 37.188 68.954 36.238 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 85.083 54.602 -8.771 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 84.557 54.516 -7.976 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 84.872 53.821 -9.283 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 26.280 12.181 5.862 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 26.162 11.813 4.986 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 26.322 13.127 5.722 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 57.721 16.629 57.318 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 56.855 16.768 57.701 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 58.024 17.506 57.083 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 86.159 36.030 0.736 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 86.380 35.470 1.480 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 85.655 35.464 0.151 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 44.336 75.201 29.506 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 44.001 75.181 30.402 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 45.024 74.536 29.492 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 67.648 41.891 57.123 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 68.166 41.839 56.319 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 67.359 40.992 57.279 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 87.771 35.706 50.012 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 86.878 35.574 50.330 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 87.679 36.327 49.289 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 65.381 20.812 -15.499 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 66.075 21.471 -15.459 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 65.584 20.206 -14.787 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 37.905 61.604 30.512 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 38.304 62.230 31.116 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 38.257 60.755 30.778 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 67.781 54.107 15.245 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 66.839 54.014 15.388 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 67.944 55.046 15.325 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 32.528 35.827 66.677 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 31.697 35.371 66.544 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 32.657 35.819 67.626 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 29.892 51.826 48.425 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 29.748 52.514 49.075 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 30.349 52.265 47.708 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 85.655 74.764 42.435 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 85.624 74.104 41.742 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 86.412 75.307 42.214 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 59.872 37.723 35.324 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 60.418 37.047 34.921 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 59.372 37.258 35.994 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 51.944 61.519 1.909 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 52.781 61.083 1.752 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 52.183 62.409 2.170 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 80.587 31.505 3.874 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 80.141 32.351 3.835 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 80.348 31.148 4.730 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 56.919 22.953 -19.770 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 57.264 22.788 -18.893 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 56.013 22.645 -19.734 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 40.817 46.553 11.677 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 41.536 46.523 12.309 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 40.394 47.397 11.836 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 33.462 47.618 25.013 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 33.373 48.371 24.428 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 34.299 47.755 25.456 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 78.045 13.514 3.320 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 78.631 13.492 4.076 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 77.981 14.442 3.092 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 21.753 30.787 17.387 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 22.699 30.784 17.242 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 21.449 29.962 17.007 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 41.175 49.951 3.972 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 40.485 49.816 4.621 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 41.974 50.054 4.488 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 69.250 52.989 62.911 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 68.729 53.662 62.473 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 69.018 52.176 62.463 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 30.228 61.060 -13.348 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 29.815 60.844 -12.512 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 31.085 60.634 -13.309 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 29.813 91.901 5.131 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 29.932 92.131 6.052 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 30.700 91.890 4.770 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 62.579 78.157 63.088 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 63.234 78.436 63.728 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 61.955 77.638 63.595 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 58.119 11.213 37.557 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 57.192 11.378 37.728 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 58.480 12.073 37.341 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 65.095 25.051 57.652 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 64.334 25.543 57.960 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 65.814 25.682 57.671 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 35.282 62.266 26.486 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 36.133 61.942 26.190 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 35.298 62.148 27.436 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 52.873 1.337 -1.899 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 52.771 1.957 -1.177 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 53.112 1.881 -2.650 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 58.849 80.325 -12.619 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 59.304 79.963 -11.859 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 57.935 80.069 -12.497 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 79.965 35.573 -12.297 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 80.637 34.947 -12.566 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 79.668 35.255 -11.445 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 46.888 51.670 25.163 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 46.656 50.804 24.828 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 47.840 51.643 25.258 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 80.401 85.175 -17.376 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 80.588 85.568 -18.229 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 79.773 84.478 -17.565 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 59.366 28.082 51.560 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 58.933 28.788 52.038 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 60.301 28.253 51.673 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 64.150 5.654 42.365 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 63.357 5.180 42.617 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 64.006 6.547 42.677 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 79.190 63.616 9.722 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 78.809 62.965 9.133 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 80.135 63.507 9.621 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 60.816 41.304 0.815 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 59.929 41.288 1.174 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 61.085 40.386 0.798 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 85.503 61.679 -16.476 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 84.930 62.413 -16.695 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 85.877 61.408 -17.315 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 89.197 84.120 58.316 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 89.106 83.224 57.993 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 88.999 84.670 57.558 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 31.662 13.502 61.467 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 30.738 13.750 61.465 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 31.778 13.013 62.281 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 83.640 37.584 35.408 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 83.207 37.628 36.261 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 84.478 37.158 35.587 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 34.373 10.662 16.467 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 33.546 10.519 16.007 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 34.494 11.611 16.454 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 72.880 20.231 -2.535 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 72.973 20.027 -1.605 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 73.748 20.067 -2.905 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 51.998 54.126 -12.526 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 52.110 53.748 -11.653 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 51.690 55.018 -12.363 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 37.454 84.638 18.569 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 37.490 84.168 17.736 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 37.755 84.000 19.216 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 60.873 79.216 39.926 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 60.281 78.628 40.396 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 61.414 78.634 39.392 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 32.939 65.075 24.649 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 33.559 64.793 23.977 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 33.468 65.165 25.441 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 26.632 92.656 -19.481 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 27.456 92.445 -19.919 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 26.891 92.940 -18.604 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 87.445 88.628 55.699 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 88.299 89.048 55.592 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 87.089 89.009 56.501 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 87.859 89.037 -10.980 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 87.168 89.696 -10.906 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 88.050 88.788 -10.076 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 70.262 34.365 16.947 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 70.067 34.095 17.844 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 69.407 34.573 16.568 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 75.796 41.865 36.955 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 76.637 42.319 36.904 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 75.305 42.183 36.198 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 76.015 73.421 -4.377 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 75.402 74.050 -3.998 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 75.855 72.609 -3.896 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 71.566 74.863 52.133 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 71.120 75.621 52.511 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 71.459 74.969 51.188 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 22.312 72.175 46.988 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 21.727 71.418 47.029 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 22.371 72.383 46.056 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 65.388 94.336 31.279 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 65.102 93.447 31.067 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 64.590 94.862 31.232 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 87.460 61.014 -11.773 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 88.219 60.489 -11.519 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 87.526 61.086 -12.725 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 24.747 66.858 9.160 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 24.386 67.334 8.411 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 25.109 67.540 9.726 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 71.841 87.146 65.427 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 71.162 87.417 66.045 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 72.470 87.868 65.428 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 31.311 34.499 11.859 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 32.096 33.992 11.654 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 31.554 35.019 12.625 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 36.591 4.364 34.815 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 36.621 4.803 33.965 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 36.872 3.467 34.632 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 43.423 47.463 46.069 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 43.766 46.621 45.767 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 44.155 48.071 45.967 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 89.348 38.352 6.563 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 89.489 39.180 7.023 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 89.048 38.611 5.691 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 33.429 32.786 58.160 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 32.871 32.327 57.532 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 33.225 32.381 59.003 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 29.247 83.573 22.690 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 28.611 83.171 22.098 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 30.045 83.649 22.169 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 59.425 18.506 37.086 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 60.084 18.543 36.394 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 58.855 19.256 36.916 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 30.140 54.967 -3.355 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 30.474 54.108 -3.096 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 29.817 55.354 -2.541 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 72.037 57.775 57.334 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 71.847 58.626 56.940 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 72.429 57.264 56.625 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 22.640 0.724 9.222 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 22.072 -0.038 9.107 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 22.079 1.381 9.634 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 57.668 70.808 -12.300 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 57.246 70.914 -11.447 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 57.878 69.876 -12.349 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 83.026 88.085 23.515 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 82.457 87.315 23.472 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 83.487 87.995 24.349 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 42.322 8.307 43.249 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 41.875 8.692 42.495 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 41.648 8.255 43.927 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 74.298 41.419 3.922 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 73.381 41.595 3.711 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 74.753 41.477 3.081 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 66.439 24.168 -6.065 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 66.611 24.570 -5.213 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 67.308 24.005 -6.432 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 88.575 64.088 24.211 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 88.017 63.463 24.675 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 88.370 63.952 23.286 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 63.884 44.502 38.333 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 63.053 44.731 37.917 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 64.547 44.709 37.674 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 69.796 53.054 -14.804 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 70.750 53.108 -14.860 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 69.626 52.185 -14.440 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 77.657 70.497 24.503 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 78.539 70.235 24.239 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 77.120 70.352 23.724 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 83.358 37.608 61.066 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 83.305 38.329 61.694 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 83.384 38.036 60.211 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 82.495 36.238 55.294 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 82.442 36.254 54.339 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 82.831 37.103 55.531 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 21.068 69.616 63.870 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 21.135 70.530 64.147 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 20.134 69.481 63.711 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 24.541 64.088 42.382 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 25.265 64.710 42.455 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 23.760 64.607 42.574 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 55.959 0.459 62.882 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 56.516 1.207 62.667 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 56.563 -0.282 62.937 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 37.055 83.903 26.949 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 37.417 83.840 27.833 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 37.688 83.442 26.397 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 33.921 32.671 27.719 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 34.297 33.514 27.464 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 33.740 32.762 28.654 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 70.959 49.064 14.280 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 71.004 49.978 14.561 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 70.023 48.882 14.202 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 49.201 44.608 -1.278 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 49.153 45.140 -2.072 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 50.138 44.482 -1.129 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 77.336 67.765 -19.004 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 76.665 68.110 -19.593 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 77.453 66.856 -19.280 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 84.159 47.241 38.716 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 83.773 46.935 37.896 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 83.887 48.157 38.783 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 45.101 87.923 -5.769 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 44.173 87.999 -5.549 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 45.118 87.387 -6.561 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 63.676 50.288 30.473 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 62.735 50.138 30.570 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 63.741 51.156 30.075 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 38.654 49.727 45.161 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 39.391 49.869 44.568 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 38.885 50.213 45.952 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 41.865 42.382 23.407 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 42.720 42.530 23.005 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 41.720 41.440 23.323 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 72.850 68.228 3.881 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 73.440 68.727 4.446 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 71.973 68.510 4.141 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 30.644 4.577 7.952 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 30.568 5.518 8.109 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 31.003 4.226 8.767 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 50.325 84.760 6.015 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 49.647 85.253 6.477 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 50.994 84.591 6.679 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 79.066 78.310 63.802 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 80.010 78.236 63.658 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 78.963 78.248 64.752 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 26.195 58.687 53.963 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 27.077 58.946 54.230 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 25.886 59.413 53.421 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 69.468 52.080 -3.526 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 69.470 53.015 -3.730 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 69.470 52.044 -2.569 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 32.392 47.463 48.302 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 31.842 48.097 47.842 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 32.062 46.610 48.019 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 88.980 84.634 -19.260 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 89.570 84.954 -18.577 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 89.248 83.726 -19.402 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 39.189 12.879 -14.341 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 39.938 12.633 -14.884 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 39.499 12.774 -13.442 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 80.716 63.099 50.085 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 80.500 63.130 51.017 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 81.528 62.593 50.044 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 22.262 7.808 45.547 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 22.496 8.736 45.554 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 22.716 7.452 44.784 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 70.169 46.737 7.645 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 69.635 47.528 7.568 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 69.772 46.249 8.367 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 71.558 30.148 3.309 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 70.845 30.787 3.306 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 72.121 30.420 4.034 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 29.964 0.610 20.274 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 30.153 0.476 19.345 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 30.357 1.459 20.478 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 36.059 93.098 20.444 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 35.751 93.829 20.980 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 35.886 93.372 19.543 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 43.743 40.785 15.431 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 44.505 40.548 15.959 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 43.020 40.824 16.058 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 37.075 78.116 65.862 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 36.547 77.786 65.135 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 36.470 78.651 66.375 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 59.705 95.925 43.544 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 60.484 95.494 43.894 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 59.863 95.977 42.601 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 63.356 30.567 -13.635 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 62.544 31.073 -13.637 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 64.006 31.156 -13.250 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 73.831 86.210 -11.073 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 73.333 86.205 -11.891 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 74.589 86.765 -11.258 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 22.193 28.602 28.674 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 22.307 28.055 27.897 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 22.899 29.246 28.620 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 36.763 33.784 33.389 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 37.489 33.194 33.186 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 37.035 34.631 33.033 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 43.246 37.290 20.934 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 42.875 37.207 21.812 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 43.761 36.491 20.815 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 30.625 15.322 39.753 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 30.913 14.660 40.382 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 31.383 15.457 39.184 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 88.673 7.365 63.902 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 88.706 7.480 62.953 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 89.129 8.130 64.253 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 72.431 53.369 50.153 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 72.000 54.214 50.018 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 72.162 52.840 49.403 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 44.118 9.017 2.994 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 44.315 8.093 2.845 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 43.823 9.056 3.904 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 35.905 22.034 36.461 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 36.072 21.782 35.552 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 36.699 22.494 36.732 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 66.606 0.176 -5.893 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 65.898 0.607 -6.371 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 67.278 0.851 -5.798 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 76.859 47.817 55.923 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 77.593 48.430 55.946 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 76.319 48.118 55.192 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 24.409 22.518 54.774 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 24.963 21.977 54.211 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 23.823 21.896 55.204 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 73.289 14.822 44.309 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 72.407 14.972 43.969 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 73.194 14.078 44.904 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 48.466 22.534 20.023 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 49.147 23.206 20.018 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 47.705 22.960 19.628 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 78.567 39.875 -13.840 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 78.799 38.950 -13.764 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 79.014 40.171 -14.633 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 86.395 43.182 35.266 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 86.511 42.378 34.760 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 87.080 43.769 34.946 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 34.606 55.053 39.894 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 34.248 54.560 39.156 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 35.039 55.807 39.492 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 41.144 93.056 43.536 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 40.505 92.995 44.246 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 41.281 93.996 43.417 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 74.581 65.221 -10.635 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 74.373 65.085 -11.559 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 73.855 64.813 -10.163 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 88.798 81.336 44.630 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 87.907 81.428 44.967 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 89.080 82.233 44.448 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 58.452 95.820 23.050 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 58.877 95.232 22.426 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 57.540 95.856 22.763 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 38.353 17.869 16.340 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 38.716 18.133 17.185 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 39.120 17.681 15.797 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 68.091 93.226 46.310 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 67.996 92.284 46.172 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 68.025 93.606 45.433 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 81.685 63.275 5.541 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 81.363 62.633 4.909 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 81.387 64.118 5.200 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 20.799 19.888 36.797 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 21.497 20.447 36.454 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 20.221 20.488 37.269 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 21.009 90.183 17.982 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 21.545 90.970 18.082 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 20.364 90.415 17.314 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 47.038 22.085 50.081 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 46.754 22.220 49.177 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 46.757 21.194 50.290 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 54.421 44.523 44.054 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 53.869 45.261 43.795 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 55.301 44.770 43.767 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 59.959 95.302 -1.865 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 59.690 94.668 -1.200 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 59.313 96.005 -1.802 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 59.596 35.351 40.974 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 59.758 36.211 41.362 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 60.300 35.239 40.336 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 45.294 39.154 19.660 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 45.520 39.500 18.797 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 45.985 38.521 19.854 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 48.482 64.507 51.494 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 48.779 65.373 51.214 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 48.389 64.010 50.682 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 60.921 76.868 32.859 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 61.456 76.210 33.302 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 60.032 76.515 32.890 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 52.812 85.575 8.689 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 53.595 85.028 8.758 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 52.082 84.960 8.768 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 45.566 45.128 32.203 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 45.263 45.476 31.364 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 45.987 44.298 31.981 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 70.043 49.875 41.782 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 69.209 49.549 41.442 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 70.137 50.745 41.393 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 70.158 80.532 49.744 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 69.345 80.682 50.227 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 70.624 79.873 50.259 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 60.537 54.136 0.179 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 60.794 54.964 -0.226 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 60.258 54.376 1.063 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 30.921 74.881 -1.098 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 31.811 74.528 -1.116 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 30.577 74.708 -1.975 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 28.032 22.651 24.003 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 28.858 22.658 23.520 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 28.144 21.964 24.660 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 85.223 50.994 -17.054 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 84.586 50.614 -17.660 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 84.964 50.661 -16.194 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 83.424 95.241 65.841 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 83.664 94.330 65.669 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 82.500 95.204 66.086 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 30.668 77.303 48.335 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 30.205 77.515 47.524 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 30.015 76.857 48.874 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 85.060 76.277 19.971 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 84.492 76.699 20.616 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 84.493 76.124 19.216 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 64.085 22.050 20.955 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 63.405 22.059 20.281 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 63.791 22.693 21.601 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 84.097 4.300 57.433 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 83.436 4.539 58.084 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 83.848 3.420 57.150 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 32.835 52.729 -17.392 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 32.472 51.864 -17.199 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 33.321 52.967 -16.602 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 33.530 29.870 -18.193 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 34.384 29.780 -18.616 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 32.919 30.023 -18.914 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 33.056 48.534 61.146 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 33.188 47.653 61.497 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 33.383 49.117 61.831 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 32.347 11.561 33.370 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 32.389 10.810 32.778 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 32.788 12.266 32.896 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 73.772 88.670 -7.517 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 73.786 88.620 -8.473 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 73.410 89.536 -7.327 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 66.847 12.977 -0.009 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 65.958 12.903 0.338 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 66.862 13.825 -0.452 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 32.164 0.569 36.940 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 31.657 1.359 36.754 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 33.014 0.893 37.239 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 59.572 46.771 33.818 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 59.855 47.200 33.011 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 58.999 47.411 34.242 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 32.065 26.481 9.407 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 31.902 27.302 8.943 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 31.776 26.651 10.304 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 76.451 10.388 0.581 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 76.471 9.470 0.850 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 76.127 10.856 1.351 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 56.576 32.822 62.623 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 56.629 33.672 62.185 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 57.044 32.223 62.041 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 38.856 46.178 -0.101 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 39.008 45.240 0.014 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 38.292 46.421 0.633 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 68.688 13.464 12.573 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 68.906 13.671 11.664 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 67.744 13.305 12.562 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 64.469 91.733 30.054 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 64.419 91.235 29.238 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 63.662 91.511 30.520 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 65.053 56.257 -19.333 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 65.740 56.324 -19.996 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 64.485 55.553 -19.646 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 89.376 90.838 -8.056 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 89.493 91.788 -8.026 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 88.670 90.704 -8.688 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 77.411 68.420 3.757 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 77.157 67.521 3.968 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 76.582 68.874 3.605 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 37.812 63.949 66.268 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 37.216 63.344 65.828 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 38.622 63.902 65.760 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 45.935 52.454 56.834 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 46.263 52.654 57.711 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 46.697 52.113 56.365 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 72.555 53.886 13.496 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 71.742 53.971 12.998 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 72.432 53.096 14.023 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 75.800 66.468 38.209 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 76.052 66.594 39.124 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 75.068 67.071 38.076 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 40.008 34.704 34.715 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 40.106 34.163 33.931 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 40.264 35.583 34.433 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 57.519 90.482 15.860 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 56.721 90.895 16.189 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 57.943 91.161 15.337 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 40.027 81.568 -17.473 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 39.212 82.039 -17.299 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 40.051 80.877 -16.810 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 50.121 10.562 18.375 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 50.809 11.127 18.022 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 49.682 10.207 17.603 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 23.674 34.149 -0.451 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 23.023 34.035 0.241 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 24.469 34.419 0.009 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 46.197 87.335 33.958 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 45.291 87.452 33.674 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 46.390 86.416 33.772 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 90.449 95.084 8.650 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 89.644 95.602 8.667 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 90.149 94.175 8.632 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 85.321 26.848 32.066 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 85.299 26.909 33.021 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 85.198 27.748 31.766 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 62.746 21.673 -15.446 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 63.649 21.387 -15.307 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 62.828 22.520 -15.884 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 50.759 20.995 63.424 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 50.813 21.022 62.469 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 51.335 21.701 63.718 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 71.386 59.764 43.680 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 70.977 60.121 42.891 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 71.645 58.876 43.434 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 63.438 21.590 29.920 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 63.179 22.401 30.359 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 63.695 21.865 29.040 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 33.079 69.747 29.650 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 33.931 70.179 29.592 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 33.074 69.128 28.921 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 66.534 48.703 -11.668 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 67.338 48.691 -11.150 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 65.836 48.829 -11.025 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 86.182 69.929 -6.380 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 86.502 70.224 -5.527 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 85.547 70.596 -6.642 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 76.287 66.902 22.685 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 75.733 66.193 22.357 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 75.678 67.499 23.120 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 80.888 72.464 33.494 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 81.554 72.269 32.835 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 80.106 72.003 33.188 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 52.234 27.392 18.181 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 51.386 27.018 18.417 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 52.521 27.853 18.970 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 33.317 29.639 24.761 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 32.882 29.117 25.435 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 33.944 30.179 25.242 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 21.857 17.604 -1.281 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 21.013 17.809 -0.879 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 22.393 18.381 -1.123 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 26.490 81.674 -0.721 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 26.378 81.114 -1.489 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 26.452 81.072 0.022 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 83.583 82.394 -13.333 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 83.017 81.670 -13.064 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 84.299 82.389 -12.697 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 82.592 10.732 36.181 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 81.977 10.617 36.906 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 82.837 9.842 35.930 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 41.147 51.898 51.958 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 40.638 52.506 51.421 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 41.626 52.459 52.567 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 88.226 29.942 27.891 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 88.771 29.651 27.160 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 87.981 30.839 27.665 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 36.166 67.990 57.149 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 36.008 68.040 58.092 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 35.818 67.136 56.892 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 76.171 78.927 12.399 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 76.358 79.574 11.719 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 75.521 79.349 12.960 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 77.422 45.408 8.462 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 76.556 45.761 8.254 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 77.668 45.844 9.278 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 38.486 23.066 29.054 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 37.974 23.842 28.826 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 39.361 23.246 28.710 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 84.813 1.845 -3.104 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 84.578 2.681 -2.701 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 84.196 1.745 -3.828 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 28.989 76.064 4.887 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 29.533 76.491 5.550 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 28.194 76.595 4.851 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 88.038 72.362 -7.514 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 87.357 73.008 -7.324 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 88.483 72.230 -6.677 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 67.051 39.298 -10.001 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 67.533 38.525 -9.707 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 66.288 39.338 -9.425 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 56.546 65.400 64.979 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 56.586 66.353 64.890 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 56.024 65.111 64.231 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 79.264 76.116 8.543 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 79.229 75.359 7.958 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 79.682 75.786 9.338 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 69.391 52.992 59.038 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 69.115 53.578 58.333 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 69.982 53.522 59.573 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 60.135 25.853 45.773 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 59.648 25.148 46.200 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 59.475 26.332 45.272 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 75.718 20.865 41.380 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 76.351 20.714 40.678 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 76.230 20.788 42.185 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 54.961 90.337 6.170 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 55.904 90.237 6.039 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 54.884 90.940 6.909 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 85.899 93.784 -5.010 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 86.142 92.859 -4.957 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 86.366 94.111 -5.779 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 80.366 0.865 43.127 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 80.368 0.589 42.211 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 79.612 1.450 43.199 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 88.410 0.904 54.235 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 89.089 0.520 54.790 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 87.759 0.209 54.136 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 30.983 27.605 61.451 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 30.794 27.074 62.225 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 31.929 27.521 61.328 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 21.264 40.207 32.727 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 22.011 40.804 32.681 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 21.479 39.608 33.442 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 38.736 12.049 38.033 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 39.502 12.419 37.594 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 38.217 11.663 37.328 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 30.313 87.817 48.331 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 30.311 88.608 47.792 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 29.389 87.651 48.516 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 23.470 6.737 43.436 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 24.360 6.385 43.415 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 22.932 6.055 43.035 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 81.801 85.713 36.994 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 82.719 85.540 36.785 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 81.342 85.611 36.161 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 59.354 89.761 3.247 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 59.700 89.565 2.376 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 58.532 89.274 3.294 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 26.367 41.249 13.339 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 26.305 40.343 13.641 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 27.272 41.341 13.039 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 64.051 62.754 44.398 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 63.304 63.026 44.930 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 64.115 61.809 44.540 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 48.371 37.180 46.849 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 49.106 36.570 46.786 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 48.601 37.759 47.576 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 37.416 6.732 2.421 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 37.265 6.503 3.338 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 38.369 6.790 2.342 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 89.532 34.262 2.948 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 89.392 34.845 3.695 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 88.652 33.995 2.683 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 20.861 45.897 24.676 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 20.498 46.601 24.137 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 21.273 46.348 25.413 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 80.066 34.197 50.293 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 80.279 35.094 50.550 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 79.157 34.242 49.996 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 54.520 11.865 5.475 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 53.613 11.939 5.771 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 54.935 11.287 6.115 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 39.343 37.262 21.981 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 40.037 36.610 22.079 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 39.593 37.764 21.205 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 74.385 26.063 41.191 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 74.356 26.849 40.645 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 74.258 25.340 40.576 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 67.298 15.258 -17.007 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 67.554 16.176 -17.089 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 66.795 15.077 -17.802 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 27.546 49.436 59.325 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 26.646 49.748 59.228 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 27.890 49.925 60.072 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 67.681 35.897 54.503 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 67.041 36.156 55.165 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 67.758 36.662 53.932 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 23.228 2.605 40.496 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 23.383 2.717 41.433 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 22.401 2.125 40.445 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 31.917 27.555 37.267 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 32.810 27.796 37.513 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 31.390 27.775 38.035 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 36.172 64.244 38.443 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 36.770 64.804 37.948 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 36.350 63.360 38.123 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 37.828 54.208 10.648 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 37.984 53.799 11.499 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 38.688 54.527 10.373 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 82.468 54.957 -4.364 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 83.187 55.222 -3.791 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 81.765 55.577 -4.170 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 84.147 27.129 13.482 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 83.219 27.238 13.692 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 84.320 27.792 12.814 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 45.214 72.283 12.122 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 46.050 72.668 11.858 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 45.051 71.597 11.475 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 44.304 83.052 59.188 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 44.165 82.180 59.558 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 45.189 83.292 59.461 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 21.894 77.670 37.112 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 21.928 76.781 37.464 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 21.006 77.971 37.305 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 69.938 45.929 19.044 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 69.839 44.978 19.087 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 69.351 46.199 18.338 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 39.989 68.991 -3.276 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 39.584 68.204 -2.913 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 40.722 68.664 -3.799 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 34.391 26.727 55.340 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 33.487 26.849 55.051 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 34.439 27.184 56.179 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 37.800 95.591 53.385 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 38.648 95.148 53.375 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 37.917 96.347 52.810 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 20.338 33.390 29.330 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 20.356 34.014 28.604 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 20.907 32.675 29.047 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 66.088 11.877 36.832 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 65.313 12.066 36.302 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 66.566 12.705 36.862 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 32.793 78.948 58.051 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 32.324 78.147 58.283 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 33.023 78.834 57.129 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 34.178 71.971 57.641 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 34.827 72.619 57.366 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 34.609 71.127 57.504 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 79.529 35.227 12.680 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 79.410 34.294 12.499 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 78.713 35.495 13.103 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 30.731 68.902 8.947 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 31.082 69.626 9.465 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 30.837 68.133 9.506 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 21.201 62.017 -8.973 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 21.483 61.102 -8.963 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 21.271 62.280 -9.890 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 57.053 6.262 11.612 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 57.170 6.088 12.546 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 56.133 6.061 11.444 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 74.690 51.498 27.744 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 74.059 52.218 27.718 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 74.271 50.794 27.249 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 77.072 26.360 47.807 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 76.269 26.636 47.365 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 76.876 25.483 48.136 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 34.844 27.964 50.198 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 35.720 28.166 50.526 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 34.919 28.043 49.247 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 43.608 7.862 61.455 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 43.632 7.365 60.638 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 44.454 8.309 61.490 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 40.653 56.381 2.969 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 41.499 56.754 3.218 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 40.621 55.538 3.421 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 84.548 51.670 41.257 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 84.784 50.743 41.234 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 85.347 52.115 41.540 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 46.347 52.903 35.216 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 45.518 52.438 35.099 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 46.347 53.166 36.136 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 37.452 70.684 58.448 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 36.985 70.667 59.283 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 38.367 70.829 58.688 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 80.379 37.524 22.489 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 79.874 37.321 21.701 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 81.276 37.638 22.177 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 22.382 66.010 -9.655 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 23.220 66.390 -9.916 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 21.943 65.805 -10.481 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 65.584 45.677 56.690 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 65.750 46.558 56.356 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 64.640 45.653 56.847 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 44.011 7.291 56.552 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 43.520 6.801 55.893 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 43.355 7.839 56.982 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 57.557 34.293 -17.325 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 57.642 35.242 -17.231 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 57.818 33.944 -16.472 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 82.732 34.483 48.710 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 83.460 33.992 49.091 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 82.069 34.503 49.400 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 58.995 23.870 47.032 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 58.610 23.284 46.381 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 58.818 23.446 47.871 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 66.317 53.810 21.520 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 65.756 53.148 21.923 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 65.742 54.275 20.913 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 44.743 37.069 -7.297 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 44.657 36.174 -7.625 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 44.109 37.573 -7.806 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 57.949 14.433 16.087 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 57.302 15.137 16.053 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 58.577 14.716 16.751 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 69.514 27.273 38.309 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 68.970 26.773 38.917 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 69.778 28.048 38.804 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 25.291 93.338 64.928 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 25.395 94.115 65.478 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 25.373 92.602 65.535 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 83.617 94.568 62.667 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 82.942 93.891 62.698 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 83.644 94.920 63.557 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 73.250 78.451 18.037 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 74.148 78.562 18.347 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 73.117 79.172 17.421 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 50.175 5.268 32.013 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 49.406 5.062 32.544 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 50.747 5.761 32.601 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 87.134 31.381 -17.286 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 87.537 30.739 -17.870 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 87.480 32.224 -17.580 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 74.323 47.281 60.713 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 74.784 48.096 60.514 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 73.396 47.508 60.649 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 57.394 27.419 17.750 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 58.082 28.039 17.993 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 56.594 27.945 17.731 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 77.817 54.285 54.652 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 77.571 53.934 53.796 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 77.140 53.962 55.247 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 71.490 94.309 46.187 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 70.716 94.219 46.743 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 71.193 94.044 45.317 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 20.919 82.945 61.233 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 21.512 83.538 61.694 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 21.495 82.301 60.822 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 68.018 40.833 32.001 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 68.433 40.028 31.690 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 67.079 40.647 31.969 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 33.730 61.987 18.508 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 34.227 61.237 18.179 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 32.814 61.747 18.369 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 59.064 1.355 1.825 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 59.851 0.809 1.819 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 59.294 2.101 2.380 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 51.066 93.243 11.051 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 50.391 92.943 11.659 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 50.795 94.130 10.811 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 79.335 85.039 38.567 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 80.100 85.109 37.995 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 79.225 85.919 38.928 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 66.303 68.402 18.607 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 65.561 68.215 18.031 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 67.035 67.925 18.218 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 28.973 83.041 53.072 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 28.980 82.167 53.461 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 29.563 83.555 53.625 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 36.023 0.927 26.866 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 36.216 1.425 27.661 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 35.641 1.569 26.268 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 64.856 40.301 -4.692 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 64.329 40.565 -3.938 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 65.635 40.854 -4.647 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 67.295 28.287 9.645 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 68.039 28.865 9.816 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 66.597 28.874 9.355 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 64.798 26.408 48.749 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 63.954 26.228 48.336 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 64.617 27.116 49.368 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 35.624 8.073 40.885 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 34.844 8.201 40.345 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 36.342 8.420 40.355 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 60.135 36.603 58.128 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 59.644 37.235 58.652 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 59.472 36.169 57.591 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 36.272 18.963 37.634 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 35.848 19.780 37.370 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 36.918 19.229 38.289 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 55.059 88.111 62.165 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 54.309 87.552 62.369 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 55.773 87.758 62.697 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 27.883 2.757 51.310 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 28.504 2.042 51.455 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 28.420 3.479 50.985 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 54.632 30.101 -16.812 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 53.896 29.640 -17.215 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 55.232 30.275 -17.537 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 41.952 2.171 37.766 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 42.275 2.259 38.663 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 41.198 1.587 37.838 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 72.895 21.886 37.337 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 73.287 21.325 36.669 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 72.955 22.770 36.974 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 23.178 32.848 63.960 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 22.495 33.488 64.160 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 23.804 33.327 63.417 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 60.642 9.137 12.066 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 59.933 9.624 12.485 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 60.362 8.222 12.106 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 79.536 33.673 53.243 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 79.986 34.457 52.928 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 79.448 33.119 52.467 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 40.586 23.612 57.891 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 41.197 23.561 57.156 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 41.097 23.327 58.649 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 68.151 51.444 19.903 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 67.210 51.535 19.752 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 68.275 51.712 20.813 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 22.468 36.351 25.963 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 22.981 36.727 25.248 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 23.101 35.844 26.472 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 50.674 90.393 54.891 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 49.963 90.987 54.653 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 51.227 90.357 54.110 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 77.911 10.235 57.658 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 78.725 9.859 57.323 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 77.374 9.477 57.890 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 59.367 13.675 11.089 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 59.791 12.864 11.372 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 59.394 14.241 11.861 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 54.163 96.219 29.790 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 54.180 97.176 29.810 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 54.215 95.998 28.860 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 51.499 4.555 -11.534 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 51.834 3.831 -11.005 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 50.547 4.460 -11.495 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 31.705 39.417 45.816 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 30.871 38.955 45.892 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 32.180 38.945 45.132 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 88.307 79.110 30.273 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 89.041 79.366 29.716 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 88.500 78.206 30.524 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 89.066 69.998 0.210 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 89.554 69.891 -0.606 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 88.992 69.111 0.564 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 69.228 84.822 -7.218 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 68.322 84.833 -7.527 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 69.516 83.919 -7.353 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 25.257 49.618 61.603 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 24.451 49.724 62.108 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 24.986 49.733 60.692 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 85.315 16.073 1.987 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 84.635 15.411 2.115 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 84.934 16.878 2.337 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 55.458 65.990 50.342 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 55.501 66.087 49.391 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 55.503 66.886 50.676 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 28.957 64.628 30.663 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 28.090 64.467 30.289 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 29.325 63.755 30.799 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 72.352 6.589 45.654 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 73.270 6.689 45.401 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 72.297 6.996 46.519 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 37.101 24.402 5.114 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 37.193 25.351 5.036 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 37.904 24.050 4.730 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 89.956 90.890 10.410 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 89.718 91.442 11.154 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 89.394 90.120 10.493 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 39.384 13.400 19.350 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 39.744 14.287 19.379 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 40.136 12.843 19.150 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 74.334 62.036 26.911 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 74.582 61.809 26.015 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 73.386 61.909 26.938 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 29.623 21.537 -13.366 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 29.134 21.509 -12.544 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 30.096 20.705 -13.392 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 65.247 32.276 65.420 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 64.450 31.759 65.307 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 64.939 33.127 65.732 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 45.383 45.283 61.887 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 44.769 45.366 62.616 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 46.201 44.995 62.293 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 59.562 5.415 54.929 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 59.658 6.181 54.362 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 60.351 4.897 54.768 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 61.184 31.241 51.216 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 61.890 30.632 50.997 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 61.374 32.024 50.699 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 67.380 48.156 49.358 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 67.454 48.716 48.586 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 67.279 47.272 49.005 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 66.575 29.048 -7.061 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 65.691 28.685 -7.003 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 66.442 29.983 -7.218 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 40.934 44.358 52.668 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 40.281 44.395 51.969 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 41.487 45.125 52.521 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 39.728 49.418 6.304 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 39.899 49.818 7.156 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 38.774 49.347 6.259 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 67.884 30.528 2.476 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 67.309 30.853 3.169 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 68.575 31.188 2.408 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 35.976 69.478 12.039 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 36.676 70.108 12.209 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 36.422 68.633 11.980 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 25.820 80.448 61.963 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 26.751 80.242 61.873 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 25.528 80.633 61.071 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 58.269 75.055 3.316 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 58.205 74.109 3.190 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 58.702 75.156 4.163 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 46.685 37.701 17.602 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 47.633 37.828 17.652 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 46.531 36.866 18.044 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 66.961 5.952 5.436 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 66.118 5.559 5.211 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 66.778 6.889 5.509 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 83.184 38.333 28.355 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 83.401 37.848 29.151 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 82.789 39.146 28.669 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 87.388 50.108 6.604 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 87.061 49.868 7.471 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 86.622 50.452 6.145 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 71.218 83.463 49.515 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 72.063 83.307 49.092 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 70.805 82.601 49.553 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 48.985 80.853 40.693 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 48.579 81.353 39.985 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 48.785 79.940 40.487 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 58.102 75.193 46.696 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 57.834 74.367 46.293 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 58.726 74.937 47.375 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 89.890 91.264 46.482 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 89.268 90.540 46.555 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 90.684 90.863 46.129 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 58.310 80.939 61.285 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 57.456 80.854 60.862 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 58.389 80.153 61.826 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 31.259 64.049 -6.630 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 30.785 63.729 -5.862 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 31.737 64.816 -6.314 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 32.605 84.573 12.248 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 33.262 85.165 12.613 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 32.045 85.136 11.713 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 57.314 41.068 50.274 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 56.360 40.984 50.255 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 57.574 41.044 49.353 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 26.373 28.570 -4.702 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 25.996 28.623 -3.824 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 26.768 29.430 -4.845 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 62.850 58.394 44.195 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 63.185 57.802 44.869 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 61.932 58.145 44.090 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 70.517 89.560 10.337 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 69.949 90.006 9.710 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 70.125 88.693 10.441 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 62.732 40.649 55.235 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 63.111 41.377 54.741 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 61.879 40.974 55.523 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 53.881 61.574 48.385 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 54.686 61.208 48.751 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 53.975 61.461 47.439 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 48.964 37.809 6.023 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 49.245 38.201 6.849 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 49.098 38.498 5.372 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 22.401 14.632 51.513 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 22.247 14.688 52.456 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 21.727 15.192 51.127 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 32.537 81.855 11.263 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 32.717 82.635 11.788 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 33.291 81.781 10.678 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 21.027 75.805 -5.765 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 21.499 75.492 -4.994 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 20.108 75.812 -5.496 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 22.981 71.458 41.868 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 23.148 71.108 42.743 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 22.709 70.698 41.353 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 63.721 84.860 -5.285 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 64.089 85.669 -4.929 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 62.774 84.975 -5.212 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 55.435 25.866 -13.723 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 55.615 26.704 -14.148 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 54.573 25.980 -13.323 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 35.669 32.567 -19.413 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 34.802 32.723 -19.039 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 36.276 32.752 -18.696 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 80.865 63.897 16.795 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 81.082 64.768 16.463 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 81.047 63.309 16.063 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 50.458 2.996 19.087 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 51.301 3.119 18.651 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 49.962 3.787 18.877 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 71.857 46.970 -18.004 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 71.652 47.710 -18.576 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 72.339 47.358 -17.273 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 43.565 84.541 49.353 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 42.678 84.377 49.030 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 44.016 83.703 49.250 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 58.961 11.599 66.456 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 59.439 12.385 66.721 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 59.474 11.240 65.732 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 78.472 55.876 8.020 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 79.070 56.547 8.351 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 77.692 56.361 7.750 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 81.650 55.285 12.083 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 81.035 54.553 12.125 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 82.391 55.008 12.622 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 31.490 66.555 -5.433 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 31.908 66.148 -4.674 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 30.618 66.798 -5.124 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 74.404 43.912 53.135 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 73.970 44.496 53.757 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 75.308 44.226 53.103 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 79.179 35.643 34.063 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 78.905 36.530 34.297 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 79.497 35.266 34.883 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 30.038 36.851 10.501 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 30.632 37.202 9.837 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 30.446 36.031 10.779 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 54.992 53.481 3.232 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 54.404 54.235 3.194 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 54.409 52.722 3.241 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 43.177 16.750 -1.601 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 43.761 16.466 -2.304 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 43.681 17.406 -1.119 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 20.460 60.230 -1.681 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 21.055 60.593 -1.025 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 20.384 59.304 -1.450 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 24.464 12.829 31.965 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 25.366 12.735 32.271 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 24.450 12.380 31.119 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 54.582 89.673 -10.743 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 55.398 89.737 -10.246 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 54.222 88.819 -10.504 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 27.949 58.061 -6.400 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 27.836 58.857 -5.881 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 27.812 57.347 -5.776 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 31.441 92.998 -16.529 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 32.363 93.038 -16.277 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 31.243 92.063 -16.568 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 60.801 80.031 22.154 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 61.749 79.954 22.042 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 60.554 80.771 21.600 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 78.289 16.566 58.772 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 78.603 17.467 58.855 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 79.084 16.034 58.771 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 87.802 66.444 -4.629 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 87.338 65.696 -5.004 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 88.149 66.916 -5.386 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 64.021 83.357 28.442 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 63.113 83.124 28.637 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 64.542 82.690 28.891 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 39.841 90.967 41.974 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 40.616 91.189 42.491 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 39.431 91.810 41.782 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 39.908 6.838 17.431 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 39.488 7.516 17.960 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 39.529 6.018 17.747 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 81.912 37.823 66.687 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 81.059 37.573 66.331 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 81.713 38.503 67.331 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 67.078 42.862 9.575 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 66.345 42.294 9.336 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 66.671 43.600 10.030 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 27.263 26.566 -8.260 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 27.189 27.518 -8.324 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 27.577 26.409 -7.369 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 62.230 14.448 39.778 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 62.555 14.471 38.878 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 61.308 14.203 39.694 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 74.965 42.097 -9.530 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 75.084 43.014 -9.777 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 75.806 41.840 -9.151 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 66.857 19.997 51.727 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 66.290 20.638 52.155 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 66.360 19.709 50.962 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 32.550 53.173 2.196 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 32.157 52.304 2.279 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 33.473 53.002 2.009 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 38.334 33.778 58.350 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 37.889 34.088 57.561 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 38.759 32.964 58.081 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 20.916 34.664 -4.461 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 21.116 34.724 -3.527 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 20.145 35.219 -4.578 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 35.732 40.187 -2.350 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 35.687 40.600 -1.487 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 35.709 40.918 -2.967 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 52.815 17.521 35.506 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 51.980 17.772 35.902 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 53.185 16.879 36.112 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 20.713 37.585 35.011 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 19.993 38.063 35.423 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 21.074 37.044 35.714 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 59.200 60.163 39.552 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 58.585 60.228 40.283 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 58.972 59.340 39.120 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 76.426 35.840 42.407 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 76.492 36.114 43.322 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 76.412 36.659 41.912 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 88.941 63.683 60.821 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 88.144 63.722 61.351 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 89.444 62.960 61.197 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 39.925 9.154 41.925 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 39.236 9.602 42.415 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 40.154 9.762 41.222 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 51.377 14.230 -9.324 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 50.888 15.020 -9.091 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 51.843 13.992 -8.522 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 78.366 82.610 17.265 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 78.448 81.991 17.990 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 79.150 82.465 16.735 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 34.626 63.070 30.362 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 34.921 63.620 31.087 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 35.226 63.276 29.645 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 47.492 30.912 -15.790 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 47.781 31.196 -14.922 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 47.513 29.956 -15.749 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 74.790 53.719 41.429 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 75.018 53.844 40.508 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 74.032 53.135 41.412 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 34.967 72.352 60.643 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 34.648 71.982 59.819 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 35.648 72.971 60.380 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 35.356 74.352 45.574 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 35.433 73.596 46.156 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 35.324 75.105 46.164 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 34.713 23.229 12.167 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 34.267 23.084 11.333 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 35.511 22.703 12.108 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 31.417 63.305 -17.814 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 30.557 63.724 -17.800 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 31.977 63.890 -17.304 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 37.825 18.056 7.107 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 37.690 18.982 7.304 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 38.752 17.992 6.876 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 71.815 49.808 5.634 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 71.748 50.746 5.814 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 70.982 49.446 5.934 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 33.329 36.902 36.030 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 32.614 36.269 35.969 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 34.044 36.504 35.533 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 72.663 8.672 63.058 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 71.712 8.564 63.025 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 72.795 9.620 63.091 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 44.569 34.162 1.446 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 44.511 34.288 2.393 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 44.574 33.212 1.330 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 50.433 61.735 -18.616 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 49.653 61.415 -19.070 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 51.042 60.997 -18.637 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 67.252 46.990 31.163 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 66.423 46.837 31.616 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 67.010 47.492 30.385 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 42.388 63.164 38.317 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 42.942 63.354 39.074 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 42.578 62.250 38.105 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 79.190 86.898 7.883 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 78.875 86.195 8.451 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 78.470 87.053 7.272 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 85.346 18.718 -15.155 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 84.803 18.966 -14.407 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 85.249 19.443 -15.773 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 39.008 10.922 16.368 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 38.807 11.818 16.097 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 39.954 10.842 16.246 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 80.287 35.767 56.970 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 79.692 35.092 56.645 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 81.026 35.748 56.363 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 80.432 61.329 3.793 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 80.673 61.724 2.956 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 80.866 60.476 3.789 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 83.143 37.318 -9.717 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 82.820 37.816 -10.468 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 82.762 37.756 -8.956 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 86.089 35.325 4.801 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 86.476 35.422 5.671 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 85.227 35.736 4.875 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 35.536 60.365 31.303 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 36.395 60.176 31.682 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 35.597 61.275 31.013 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 65.680 71.272 -5.015 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 66.380 70.893 -4.483 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 64.893 70.793 -4.752 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 68.301 49.088 14.193 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 67.714 49.832 14.060 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 67.779 48.455 14.685 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 25.548 8.570 33.909 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 25.752 8.415 32.987 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 24.882 9.257 33.896 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 74.616 23.798 58.486 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 73.776 23.711 58.937 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 75.241 23.345 59.052 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 31.154 3.006 20.761 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 31.730 3.189 21.503 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 30.332 3.444 20.982 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 37.732 22.067 -12.486 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 36.819 21.932 -12.740 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 37.739 22.926 -12.063 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 38.818 81.739 -2.324 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 38.452 82.579 -2.602 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 39.607 81.972 -1.834 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 33.786 7.801 1.172 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 33.832 8.271 0.339 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 34.537 8.125 1.671 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 48.986 85.795 12.887 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 48.266 85.164 12.888 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 48.974 86.176 13.765 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 82.940 43.020 4.868 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 82.731 42.253 4.335 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 82.352 42.957 5.621 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 22.928 54.005 33.700 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 21.977 53.910 33.750 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 23.152 53.716 32.815 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 67.034 7.875 50.579 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 66.371 8.563 50.526 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 66.540 7.059 50.505 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 57.406 86.011 63.759 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 57.995 85.342 64.107 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 56.634 85.524 63.469 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 70.329 87.257 22.659 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 70.359 87.055 23.594 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 70.418 88.210 22.618 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 29.353 48.709 0.067 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 29.854 48.529 0.862 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 29.080 47.847 -0.246 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 35.512 16.850 48.236 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 36.415 16.755 47.935 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 35.025 17.115 47.456 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 48.447 62.241 12.473 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 49.234 61.989 12.957 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 48.431 63.197 12.523 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 70.132 41.678 36.102 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 70.813 41.317 35.535 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 69.917 42.524 35.711 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 57.076 48.095 66.259 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 57.169 49.007 65.983 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 56.181 48.037 66.595 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 65.801 16.192 -13.162 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 66.675 15.804 -13.216 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 65.941 17.044 -12.748 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 49.551 33.414 -7.172 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 49.986 33.789 -6.406 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 49.320 32.524 -6.905 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 87.091 91.547 -6.006 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 87.862 91.968 -6.386 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 87.427 90.739 -5.616 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 69.398 48.845 50.981 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 69.641 49.755 50.810 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 68.608 48.705 50.459 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 40.851 29.444 -17.093 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 41.398 29.392 -16.309 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 39.964 29.575 -16.758 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 21.491 95.015 -13.563 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 22.092 95.498 -14.130 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 21.579 94.104 -13.841 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 50.242 10.896 34.654 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 51.016 10.574 34.191 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 50.593 11.380 35.401 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 89.547 42.242 -1.240 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 89.449 43.036 -0.715 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 89.874 41.586 -0.624 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 22.259 42.256 -17.426 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 22.829 41.907 -18.112 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 22.521 43.172 -17.340 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 25.322 32.101 -7.842 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 24.531 31.580 -7.708 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 25.661 31.809 -8.689 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 39.610 6.998 39.427 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 39.061 7.320 40.142 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 40.415 6.706 39.854 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 75.526 1.586 -6.856 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 76.094 0.817 -6.916 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 76.073 2.256 -6.447 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 82.844 33.176 -16.413 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 83.798 33.191 -16.488 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 82.546 33.873 -16.998 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 75.432 8.490 38.168 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 74.809 8.237 37.486 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 74.997 9.201 38.638 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 84.815 75.137 12.001 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 85.547 75.198 12.616 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 85.009 74.361 11.474 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 88.259 46.883 26.805 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 88.669 47.242 26.018 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 87.517 46.374 26.477 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 58.406 15.712 60.099 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 57.798 15.267 59.508 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 59.199 15.835 59.579 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 27.108 60.299 65.666 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 27.026 61.024 66.286 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 26.388 59.709 65.892 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 20.863 72.758 44.444 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 21.587 72.840 43.823 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 20.326 73.536 44.291 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 25.814 36.944 47.406 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 26.106 36.113 47.782 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 26.587 37.289 46.958 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 78.718 4.153 9.236 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 79.055 4.560 8.438 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 79.034 3.250 9.197 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 65.313 63.712 -0.959 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 64.593 63.798 -0.335 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 65.854 64.487 -0.810 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 89.374 95.842 45.700 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 88.552 96.331 45.735 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 89.714 96.008 44.821 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 41.792 91.711 61.774 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 41.790 91.273 60.923 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 41.617 92.630 61.571 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 51.766 14.568 25.872 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 51.167 15.314 25.898 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 51.209 13.807 26.034 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 35.263 72.865 -16.504 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 35.640 72.371 -17.233 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 34.428 73.191 -16.842 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 29.923 7.911 -1.238 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 30.370 7.472 -0.513 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 29.815 8.814 -0.941 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 51.742 59.397 -10.985 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 51.527 59.669 -10.093 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 52.590 58.961 -10.905 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 80.688 60.233 40.752 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 79.787 60.179 41.070 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 80.961 61.128 40.955 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 29.033 78.658 51.941 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 28.156 78.802 52.294 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 29.590 79.268 52.425 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 80.813 89.889 56.348 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 80.672 88.945 56.265 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 81.712 90.024 56.049 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 57.585 38.193 62.103 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 58.370 38.278 62.644 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 57.856 38.501 61.238 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 71.436 42.118 44.206 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 71.737 42.140 43.298 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 71.979 41.448 44.623 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 36.731 18.691 55.450 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 37.345 18.891 56.156 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 37.151 19.036 54.662 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 78.412 52.665 66.396 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 77.713 52.010 66.416 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 78.203 53.261 67.114 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 30.301 86.925 44.470 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 30.367 87.097 43.531 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 30.544 86.004 44.563 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 61.411 89.077 48.609 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 60.457 89.031 48.666 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 61.659 88.304 48.103 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 74.932 28.141 26.721 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 74.508 27.366 27.088 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 75.868 27.946 26.765 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 43.451 24.219 37.405 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 43.763 25.109 37.570 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 43.218 23.882 38.270 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 36.816 13.821 54.965 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 36.798 14.355 55.759 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 36.475 14.397 54.281 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 69.223 16.305 46.189 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 69.742 16.960 46.657 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 68.385 16.287 46.652 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 59.294 53.291 60.606 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 58.985 53.758 61.382 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 58.512 52.864 60.256 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 21.509 67.452 4.521 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 21.164 66.660 4.933 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 21.001 67.544 3.714 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 62.759 91.014 53.995 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 63.578 90.735 54.406 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 62.879 90.821 53.065 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 36.012 2.383 32.025 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 36.721 2.311 32.664 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 35.231 2.098 32.499 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 64.794 41.032 49.084 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 63.990 41.214 49.571 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 64.715 40.113 48.825 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 64.568 34.989 3.435 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 63.777 34.927 2.900 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 64.327 35.573 4.153 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 90.012 50.821 -14.595 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 90.626 50.280 -15.092 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 89.258 50.924 -15.177 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 36.703 33.027 -3.131 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 36.504 32.751 -2.236 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 36.623 32.229 -3.652 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 21.938 14.855 66.094 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 21.323 14.972 66.818 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 22.235 15.740 65.886 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 45.707 1.250 -9.703 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 45.527 1.466 -10.618 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 46.381 0.571 -9.746 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 80.857 51.353 54.677 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 80.235 51.099 53.995 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 81.362 52.067 54.287 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 51.517 78.832 -16.488 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 51.281 78.552 -17.373 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 50.868 78.414 -15.923 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 51.906 39.961 60.844 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 51.416 40.340 60.115 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 52.619 40.580 61.002 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 86.443 75.322 58.053 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 85.858 76.072 57.949 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 87.220 75.551 57.542 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 85.024 93.891 -2.408 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 84.190 94.322 -2.596 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 85.454 93.818 -3.260 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 32.673 15.223 -16.502 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 31.961 15.253 -17.142 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 33.256 15.938 -16.759 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 86.872 8.637 51.010 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 86.775 9.382 51.604 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 86.942 9.032 50.140 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 74.824 30.672 47.718 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 75.076 30.836 46.809 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 74.132 31.310 47.894 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 71.116 81.894 -3.231 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 71.245 81.122 -2.680 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 70.189 82.109 -3.131 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 61.690 28.176 -9.357 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 62.163 27.891 -10.139 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 60.857 27.706 -9.396 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 56.980 11.208 -11.318 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 56.766 12.128 -11.471 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 56.590 10.744 -12.059 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 27.505 2.914 53.911 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 27.517 2.783 52.963 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 26.612 3.199 54.103 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 74.461 9.912 8.369 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 74.652 10.463 7.610 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 74.223 10.530 9.060 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 69.582 38.793 16.954 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 69.801 39.339 17.709 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 69.888 39.295 16.198 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 72.613 48.114 56.895 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 72.414 48.095 55.959 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 72.582 49.042 57.128 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 33.474 11.483 -13.339 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 33.907 10.762 -13.795 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 33.630 11.309 -12.411 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 45.091 16.538 63.080 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 44.927 15.743 63.588 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 46.033 16.686 63.165 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 49.283 86.225 52.063 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 48.802 85.600 51.521 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 49.087 85.964 52.963 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 54.082 24.538 35.790 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 54.758 24.453 35.117 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 54.313 25.340 36.260 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 57.839 53.188 -0.191 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 57.741 53.175 0.761 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 58.760 53.405 -0.335 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 82.351 72.539 53.273 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 82.310 73.190 53.973 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 81.587 72.724 52.728 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 51.384 73.600 -14.972 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 51.387 74.494 -14.628 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 51.802 73.078 -14.287 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 81.595 74.874 29.834 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 81.662 73.919 29.825 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 81.266 75.082 30.708 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 68.826 5.230 61.807 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 68.296 5.347 61.019 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 69.557 4.680 61.525 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 34.424 27.100 -9.382 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 34.953 26.594 -9.998 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 34.205 26.479 -8.687 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 38.998 19.406 3.215 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 39.439 20.141 2.789 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 38.560 19.795 3.972 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 32.687 76.761 22.577 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 32.835 76.315 23.412 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 31.777 76.561 22.356 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 72.050 52.694 52.829 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 71.457 53.430 52.979 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 72.166 52.668 51.879 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 83.107 6.361 37.984 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 82.985 7.266 38.273 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 83.337 6.433 37.058 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 22.337 71.844 64.871 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 22.918 71.701 65.618 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 22.328 72.794 64.753 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 79.496 80.645 43.518 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 79.712 81.453 43.052 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 80.301 80.128 43.489 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 21.974 65.505 54.859 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 21.761 65.039 54.051 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 22.920 65.398 54.956 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 21.349 80.435 26.578 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 20.887 80.145 25.791 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 22.148 79.909 26.596 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 38.269 59.570 53.544 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 38.124 60.203 52.841 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 39.097 59.145 53.318 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 60.835 67.752 -16.161 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 59.893 67.615 -16.060 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 61.116 68.124 -15.325 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 70.847 38.834 58.742 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 70.300 39.379 59.308 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 70.401 38.844 57.895 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 72.051 10.413 -14.140 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 71.776 9.793 -14.816 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 72.047 9.902 -13.330 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 21.951 76.157 44.241 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 21.088 75.830 44.496 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 22.251 75.543 43.570 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 53.402 9.865 -0.587 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 53.470 10.066 0.346 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 53.538 8.919 -0.640 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 22.296 57.504 -7.854 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 22.694 58.148 -8.439 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 21.400 57.406 -8.177 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 71.639 91.836 28.421 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 72.371 92.014 29.011 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 72.016 91.295 27.727 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 60.119 57.019 -14.476 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 59.352 57.318 -13.988 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 60.358 56.189 -14.063 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 58.577 35.877 -19.525 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 58.407 36.057 -20.449 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 58.291 36.669 -19.069 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 43.723 72.807 48.637 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 42.780 72.711 48.500 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 44.073 71.923 48.528 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 66.741 87.371 6.715 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 66.015 87.337 6.092 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 67.394 86.771 6.355 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 78.681 49.821 56.089 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 78.115 50.505 56.446 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 79.532 49.976 56.499 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 36.773 42.347 8.306 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 37.567 42.221 7.787 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 37.032 42.122 9.200 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 52.538 29.923 64.242 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 51.630 29.912 63.939 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 53.052 30.093 63.452 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 90.338 96.105 1.875 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 90.297 95.152 1.948 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 89.438 96.397 2.022 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 24.669 48.917 19.401 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 25.438 49.460 19.228 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 23.937 49.534 19.412 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 65.946 4.557 27.254 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 66.777 4.344 26.829 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 66.101 4.385 28.183 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 46.018 76.894 60.958 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 46.296 76.577 61.817 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 46.752 76.692 60.378 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 45.473 19.580 42.101 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 46.346 19.569 41.708 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 45.284 20.508 42.239 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 54.467 70.629 27.042 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 53.831 71.265 27.368 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 54.075 70.288 26.238 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 27.759 90.005 30.545 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 27.094 90.288 29.916 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 27.922 90.777 31.086 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 55.332 20.792 28.243 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 54.747 21.211 27.613 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 56.019 20.395 27.707 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 68.904 65.876 14.882 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 69.514 65.317 14.400 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 68.751 66.621 14.301 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 58.020 49.763 -9.116 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 58.598 49.482 -9.825 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 57.163 49.864 -9.530 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 39.969 37.958 18.840 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 40.741 38.500 19.002 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 40.257 37.320 18.187 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 37.498 28.509 58.494 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 37.128 27.730 58.911 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 38.094 28.871 59.150 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 65.245 44.839 64.444 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 65.611 44.835 65.328 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 64.944 43.941 64.305 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 45.063 28.285 -18.968 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 45.816 28.042 -18.430 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 44.922 29.213 -18.777 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 23.072 43.344 35.236 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 23.539 44.175 35.146 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 22.155 43.595 35.343 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 27.679 82.989 16.904 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 28.514 83.131 17.348 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 27.215 82.363 17.460 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 41.850 31.902 -5.236 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 40.929 31.756 -5.448 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 41.853 32.708 -4.720 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 90.329 32.703 60.729 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 89.749 32.720 61.491 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 89.957 32.028 60.160 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 24.859 81.839 38.964 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 24.625 82.071 38.065 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 25.015 80.895 38.936 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 66.317 93.483 4.198 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 66.539 94.024 3.440 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 66.819 92.678 4.074 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 27.031 69.114 3.264 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 26.373 68.767 3.867 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 27.683 68.418 3.195 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 44.579 79.636 56.483 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 44.854 80.552 56.436 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 43.644 79.676 56.685 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 38.286 18.486 -1.972 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 38.973 18.934 -1.479 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 38.328 18.872 -2.847 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 50.956 47.342 8.537 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 51.680 47.015 8.003 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 51.019 46.848 9.355 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 66.210 54.616 55.764 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 66.527 55.260 55.130 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 65.550 55.086 56.274 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 45.407 8.852 24.487 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 45.970 9.476 24.945 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 45.559 8.019 24.933 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 75.884 40.050 65.133 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 76.179 40.822 64.650 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 74.929 40.082 65.077 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 22.817 31.315 55.636 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 22.983 32.172 55.244 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 22.047 30.984 55.172 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 22.459 2.828 57.141 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 22.966 2.977 56.343 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 22.089 3.685 57.353 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 35.326 35.618 42.116 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 35.358 35.301 43.018 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 35.237 34.826 41.586 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 43.538 95.609 43.068 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 43.265 94.706 42.903 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 44.231 95.771 42.427 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 26.521 56.012 -13.347 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 26.647 55.429 -12.599 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 26.020 55.492 -13.975 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 84.831 54.656 41.426 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 85.347 54.383 40.667 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 85.325 55.384 41.803 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 29.203 40.261 50.696 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 28.742 39.960 49.912 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 30.071 40.514 50.381 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 36.115 12.492 -5.257 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 35.764 11.649 -5.543 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 37.061 12.413 -5.384 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 60.785 72.103 66.896 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 60.543 71.725 67.741 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 59.999 72.565 66.605 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 30.060 53.431 32.107 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 30.890 53.384 32.581 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 29.722 52.536 32.126 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 43.355 40.319 41.429 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 43.188 41.040 40.821 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 42.753 40.475 42.157 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 24.205 26.562 16.627 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 24.662 26.985 17.354 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 23.304 26.465 16.933 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 44.172 12.793 -19.435 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 44.475 12.289 -18.679 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 44.960 12.934 -19.960 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 79.249 89.717 15.754 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 79.086 89.335 16.617 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 80.139 90.066 15.810 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 42.920 96.105 6.461 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 43.765 95.678 6.322 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 43.108 97.041 6.386 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 48.609 17.573 47.006 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 48.292 16.805 47.480 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 49.561 17.531 47.090 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 82.762 91.974 58.208 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 83.553 91.473 58.010 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 83.038 92.608 58.869 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 87.206 91.481 -9.893 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 87.367 92.084 -10.619 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 86.422 91.823 -9.466 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 75.827 24.155 42.039 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 75.493 24.948 41.621 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 76.187 23.637 41.319 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 67.781 16.111 13.229 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 68.371 15.366 13.113 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 67.292 15.907 14.026 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 62.607 21.981 8.539 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 62.935 22.850 8.306 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 62.830 21.431 7.788 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 42.772 10.383 46.533 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 43.005 9.584 46.060 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 43.251 11.078 46.081 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 28.679 32.425 14.363 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 29.073 32.658 13.522 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 29.055 33.049 14.984 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 84.063 69.273 36.447 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 84.657 69.835 36.945 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 84.182 69.544 35.537 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 70.134 6.081 53.243 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 70.659 6.870 53.379 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 69.865 6.128 52.326 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 36.231 52.768 40.031 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 35.480 53.345 40.170 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 36.601 53.053 39.196 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 44.681 34.667 64.833 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 44.400 34.564 65.742 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 44.771 33.772 64.506 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 35.758 77.931 63.213 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 36.039 78.826 63.024 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 35.324 77.641 62.411 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 20.860 72.688 4.593 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 21.697 73.127 4.742 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 20.846 72.510 3.653 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 62.578 90.348 16.332 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 62.663 89.775 15.570 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 63.466 90.414 16.683 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 70.390 4.078 -5.955 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 69.600 4.619 -5.961 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 70.368 3.612 -6.792 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 76.372 89.091 24.109 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 75.932 89.517 24.845 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 77.012 88.507 24.517 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 43.258 36.875 59.658 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 42.367 36.944 60.001 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 43.293 37.516 58.948 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 58.183 36.466 45.259 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 57.443 36.931 44.868 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 58.901 36.592 44.639 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 86.357 28.578 -3.222 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 85.608 29.074 -2.893 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 87.070 29.215 -3.257 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 74.079 18.466 40.312 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 74.611 18.976 40.923 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 74.714 17.961 39.805 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 70.680 74.857 37.004 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 69.928 75.389 36.743 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 71.339 75.025 36.331 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 59.727 67.359 39.676 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 60.130 67.713 38.883 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 58.911 67.850 39.770 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 54.250 27.144 -18.651 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 54.126 27.617 -19.474 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 53.915 27.739 -17.980 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 23.974 49.706 43.723 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 24.649 49.027 43.741 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 24.458 50.522 43.596 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 60.777 5.768 62.174 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 60.369 5.017 61.743 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 60.338 6.530 61.797 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 40.379 53.969 50.273 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 40.488 54.696 50.885 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 41.033 54.128 49.592 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 79.218 66.504 49.680 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 80.043 66.110 49.963 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 79.184 66.341 48.738 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 74.588 44.822 16.125 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 75.273 45.479 16.004 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 73.833 45.318 16.442 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 56.306 25.324 46.826 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 56.741 25.108 46.002 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 56.975 25.182 47.495 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 32.194 11.589 57.381 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 31.694 12.210 56.851 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 32.533 10.954 56.751 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 43.992 3.077 21.354 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 43.605 3.502 20.588 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 43.382 2.370 21.569 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 23.717 61.088 25.600 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 24.479 61.237 25.040 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 24.023 60.468 26.261 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 79.079 75.713 49.911 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 79.768 76.162 50.401 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 79.195 74.787 50.127 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 43.382 43.297 60.862 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 43.802 43.105 61.700 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 42.732 43.970 61.068 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 75.396 45.504 66.277 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 75.671 46.266 65.767 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 75.240 44.822 65.623 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 75.547 85.112 39.163 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 75.482 84.250 39.574 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 75.957 84.943 38.315 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 33.149 35.545 1.881 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 32.761 35.087 2.627 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 33.873 36.046 2.257 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 83.568 45.615 41.232 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 83.785 46.051 40.408 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 84.345 45.734 41.779 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 33.653 9.773 55.426 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 34.228 10.318 55.962 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 33.620 10.218 54.579 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 85.251 65.668 63.991 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 84.914 66.538 63.777 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 86.197 65.740 63.869 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 39.596 36.039 59.063 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 39.679 36.555 58.261 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 39.175 35.227 58.783 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 25.143 56.078 42.028 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 24.275 55.862 42.370 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 25.078 55.916 41.087 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 20.396 56.173 53.626 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 20.903 56.885 53.238 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 20.241 56.452 54.528 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 24.215 50.428 -0.656 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 23.519 50.348 -0.004 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 24.212 49.588 -1.114 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 75.687 59.605 52.143 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 74.761 59.362 52.151 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 75.990 59.424 53.033 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 72.494 77.550 0.539 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 72.186 76.670 0.753 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 72.560 77.993 1.385 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 79.750 38.116 -7.451 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 78.815 37.919 -7.500 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 80.176 37.362 -7.859 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 33.744 73.565 28.382 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 34.115 72.686 28.457 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 34.363 74.128 28.848 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 78.073 52.601 4.898 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 77.247 52.986 5.190 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 77.813 51.833 4.390 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 23.158 68.208 22.534 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 23.511 68.045 23.408 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 22.822 67.359 22.248 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 45.130 22.412 42.039 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 46.007 22.736 42.246 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 44.538 23.040 42.455 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 66.193 66.651 51.527 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 66.082 66.323 52.419 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 66.830 66.057 51.130 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 25.310 7.931 52.587 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 25.825 7.374 53.170 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 24.568 7.385 52.326 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 31.086 95.708 -5.053 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 31.633 94.975 -4.770 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 30.265 95.595 -4.573 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 89.342 36.274 20.462 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 89.472 35.327 20.517 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 89.010 36.521 21.325 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 70.968 19.925 -4.745 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 71.829 19.950 -4.328 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 70.698 20.842 -4.792 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 73.963 19.766 -5.447 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 74.771 20.262 -5.582 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 74.202 19.085 -4.818 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 62.906 33.646 -3.765 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 62.091 33.641 -4.267 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 62.760 34.293 -3.076 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 77.829 53.029 45.383 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 76.888 53.146 45.510 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 78.099 53.794 44.875 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 36.546 18.904 21.745 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 36.832 18.833 20.834 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 37.274 18.546 22.254 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 59.356 80.287 3.493 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 58.700 80.689 2.924 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 58.851 79.908 4.212 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 71.728 41.638 31.182 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 71.877 41.063 30.431 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 70.963 42.158 30.939 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 79.641 88.902 1.861 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 79.640 88.135 1.288 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 79.290 89.608 1.319 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 47.194 92.113 47.056 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 47.197 92.871 47.641 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 47.502 92.455 46.217 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 60.285 86.724 4.767 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 60.828 85.959 4.960 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 59.583 86.690 5.417 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 78.647 50.803 43.870 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 77.998 50.425 43.277 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 78.171 51.488 44.340 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 47.207 25.113 -0.112 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 48.060 25.447 -0.390 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 47.247 25.116 0.844 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 43.156 12.676 -0.352 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 42.947 12.223 -1.169 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 43.224 11.977 0.299 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 33.643 7.453 48.915 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 32.889 6.886 48.756 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 34.183 7.361 48.130 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 33.744 19.883 56.184 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 33.836 20.567 56.847 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 33.933 20.325 55.356 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 52.627 20.112 42.280 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 52.088 19.323 42.334 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 52.585 20.492 43.158 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 72.720 70.422 34.820 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 72.212 71.077 34.340 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 72.139 69.664 34.879 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 50.249 77.386 -18.790 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 50.670 76.527 -18.809 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 49.554 77.298 -18.138 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 35.230 46.861 63.044 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 36.119 47.216 63.067 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 35.351 45.918 62.931 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 69.053 43.812 8.169 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 68.539 43.525 8.924 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 68.404 44.154 7.554 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 57.599 23.923 29.282 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 56.778 24.414 29.246 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 57.548 23.315 28.545 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 36.339 57.868 54.363 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 36.685 58.669 53.969 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 35.400 57.898 54.181 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 73.060 74.728 42.021 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 72.163 74.503 42.264 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 73.446 75.077 42.825 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 23.160 59.236 -10.012 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 23.948 59.418 -9.499 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 23.489 58.898 -10.844 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 60.124 42.774 -7.771 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 60.841 43.003 -8.361 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 60.243 43.348 -7.014 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 81.688 26.428 -0.045 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 81.965 25.823 -0.732 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 81.436 27.224 -0.513 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 65.796 35.742 37.164 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 66.173 36.144 37.947 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 66.385 35.999 36.455 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 87.537 80.707 -11.484 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 88.460 80.822 -11.258 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 87.132 80.381 -10.681 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 44.248 29.278 50.051 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 43.691 28.524 50.243 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 43.824 29.706 49.307 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 86.449 59.736 -18.978 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 87.222 60.076 -19.429 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 85.776 59.689 -19.656 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 32.883 35.593 57.274 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 33.401 36.183 57.821 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 33.085 34.718 57.604 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 45.763 73.960 -11.532 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 45.224 73.872 -12.319 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 45.366 73.359 -10.901 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 75.548 37.444 47.730 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 75.637 38.390 47.848 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 75.626 37.084 48.614 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 60.628 54.645 56.655 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 61.271 54.732 55.951 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 59.993 54.011 56.322 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 89.683 66.140 29.802 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 89.331 66.805 30.393 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 88.918 65.801 29.338 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 38.247 41.845 48.631 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 38.569 41.326 47.894 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 37.318 41.621 48.695 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 67.673 84.831 -0.499 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 67.858 85.697 -0.134 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 68.474 84.330 -0.347 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 70.241 41.482 -12.933 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 70.901 41.901 -12.381 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 69.432 41.538 -12.424 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 26.844 94.924 0.314 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 26.209 95.640 0.302 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 26.335 94.148 0.077 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 34.931 1.898 -3.471 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 34.870 2.014 -4.419 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 34.792 0.961 -3.333 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 36.759 86.797 23.911 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 36.315 86.077 23.463 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 37.036 87.384 23.206 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 23.107 56.005 49.381 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 23.031 55.248 49.960 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 23.567 56.662 49.903 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 47.769 46.497 54.547 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 47.187 47.189 54.859 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 47.999 46.003 55.335 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 80.025 76.043 59.938 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 79.979 75.107 59.739 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 80.932 76.186 60.207 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 52.719 83.359 -17.639 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 53.025 83.201 -16.746 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 51.941 82.809 -17.727 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 47.840 3.572 5.968 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 48.052 3.380 5.054 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 47.948 2.735 6.420 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 79.790 43.994 32.884 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 80.093 43.157 32.531 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 78.944 44.140 32.461 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 45.648 46.017 3.047 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 45.189 45.837 3.868 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 45.661 46.973 2.986 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 36.250 38.177 21.378 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 36.533 38.870 21.974 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 36.617 38.425 20.529 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 71.960 30.331 -5.432 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 72.051 30.107 -4.506 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 71.021 30.268 -5.604 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 71.330 86.679 -6.893 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 71.416 87.417 -7.496 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 70.693 86.100 -7.311 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 78.672 81.229 38.065 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 79.291 81.669 38.648 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 78.303 81.934 37.532 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 39.137 69.044 -15.798 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 38.635 68.888 -14.998 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 38.504 68.922 -16.506 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 69.652 6.071 -0.702 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 70.372 6.162 -0.077 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 70.082 5.949 -1.548 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 42.441 65.778 -6.489 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 42.952 65.960 -5.700 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 41.660 65.326 -6.170 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 47.197 60.228 5.043 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 47.789 59.487 5.172 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 47.526 60.903 5.636 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 37.851 44.713 16.968 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 37.818 45.557 17.419 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 38.056 44.934 16.060 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 50.316 95.415 -6.252 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 49.769 95.026 -6.934 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 49.861 95.211 -5.435 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 77.377 45.354 20.938 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 77.813 45.629 21.745 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 76.663 44.787 21.232 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 32.907 78.948 6.576 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 32.535 79.087 7.447 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 33.520 79.674 6.460 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 45.906 91.250 53.111 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 45.087 91.736 53.208 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 46.065 91.235 52.167 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 25.170 67.894 20.765 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 25.782 67.158 20.738 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 24.551 67.666 21.458 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 29.970 39.704 42.662 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 30.089 40.269 43.426 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 29.024 39.560 42.616 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 20.839 4.845 2.505 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 21.480 5.537 2.667 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 20.523 5.014 1.618 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 23.265 31.487 -5.511 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 23.244 31.486 -4.554 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 23.227 32.413 -5.751 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 25.434 84.778 20.115 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 25.594 83.859 20.330 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 26.168 85.023 19.551 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 67.661 34.293 -19.598 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 68.042 34.919 -18.983 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 68.047 33.451 -19.354 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 49.756 11.117 6.154 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 48.896 10.873 6.494 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 50.248 10.296 6.136 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 43.079 54.505 61.283 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 42.618 54.077 62.004 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 42.505 55.227 61.025 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 61.704 65.394 47.341 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 61.493 64.816 46.608 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 61.545 64.862 48.120 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 87.801 26.104 -14.343 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 87.690 26.770 -13.664 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 88.409 25.471 -13.961 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 81.710 64.065 30.817 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 80.810 64.348 30.656 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 82.251 64.742 30.409 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 21.667 74.938 -8.312 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 21.311 75.249 -7.480 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 22.595 74.786 -8.134 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 63.757 90.435 -10.107 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 64.128 91.310 -9.996 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 63.034 90.556 -10.723 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 44.928 46.892 -15.646 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 45.227 46.909 -16.555 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 44.367 47.664 -15.564 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 58.809 81.349 25.455 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 58.269 81.972 24.969 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 58.368 80.507 25.338 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 77.277 78.581 37.905 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 77.040 77.667 38.066 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 77.184 78.690 36.959 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 77.804 50.174 1.310 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 77.287 50.895 1.669 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 77.849 49.534 2.021 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 78.592 80.080 15.036 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 79.040 79.612 15.740 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 79.297 80.452 14.507 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 48.693 0.660 19.458 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 49.173 1.469 19.282 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 49.084 0.016 18.869 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 21.943 50.843 46.996 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 22.324 50.090 47.447 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 21.731 50.517 46.121 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 24.388 36.925 19.022 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 24.216 37.249 19.906 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 24.312 37.699 18.464 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 56.478 37.768 52.851 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 55.921 37.382 53.528 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 55.947 37.735 52.056 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 29.083 23.915 -13.796 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 29.135 24.131 -14.727 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 29.277 22.978 -13.756 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 71.322 10.395 0.830 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 70.431 10.645 1.075 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 71.351 10.513 -0.120 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 30.325 72.698 -15.523 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 29.688 72.715 -14.809 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 30.842 71.908 -15.364 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 30.448 49.209 24.923 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 30.141 49.426 25.804 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 31.286 49.663 24.842 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 68.345 57.716 61.394 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 67.997 56.869 61.670 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 68.093 57.791 60.473 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 68.601 95.941 -16.985 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 69.413 95.802 -16.498 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 67.970 96.225 -16.323 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 63.526 41.086 -13.319 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 62.905 40.364 -13.412 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 64.373 40.659 -13.192 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 79.085 89.410 -15.971 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 79.566 88.663 -15.617 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 79.740 90.104 -16.046 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 69.836 78.175 -9.119 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 69.011 78.657 -9.063 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 70.093 78.033 -8.208 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 24.631 44.111 -1.890 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 24.059 43.343 -1.882 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 24.328 44.643 -1.154 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 88.105 76.907 63.318 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 87.494 76.857 62.583 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 88.581 77.726 63.179 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 64.640 47.834 26.920 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 64.183 47.873 26.080 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 64.610 48.732 27.251 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 29.677 78.033 -13.003 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 30.073 78.821 -12.630 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 30.314 77.340 -12.830 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 63.340 9.748 62.536 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 63.521 8.962 63.052 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 62.931 10.352 63.154 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 83.604 60.779 38.908 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 82.803 61.068 38.471 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 84.281 60.843 38.234 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 37.494 1.250 -2.302 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 36.538 1.199 -2.306 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 37.780 0.367 -2.068 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 76.260 78.923 28.998 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 76.455 78.314 29.710 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 75.614 78.465 28.460 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 59.214 3.910 33.663 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 58.286 3.887 33.898 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 59.296 3.279 32.948 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 57.945 0.658 19.768 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 57.267 0.761 20.437 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 58.758 0.559 20.263 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 47.098 66.748 -1.621 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 47.138 67.324 -0.858 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 47.731 66.056 -1.433 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 55.857 89.529 -3.375 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 56.277 89.968 -4.114 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 55.490 88.728 -3.748 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 23.775 38.700 1.513 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 24.292 39.477 1.301 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 24.062 38.452 2.392 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 67.757 85.057 13.412 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 67.363 84.186 13.354 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 67.543 85.473 12.577 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 26.290 42.987 35.953 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 26.592 42.566 35.148 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 25.699 42.348 36.350 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 50.151 51.386 58.431 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 50.333 51.028 57.563 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 49.448 50.836 58.776 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 60.807 67.961 55.050 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 60.526 67.303 54.415 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 61.753 67.837 55.122 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 31.607 58.630 4.089 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 31.081 57.859 4.301 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 32.465 58.277 3.853 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 89.469 63.406 -18.840 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 90.046 64.157 -18.982 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 89.772 63.023 -18.017 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 21.760 16.335 -6.804 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 22.188 16.909 -6.168 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 22.407 16.222 -7.499 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 79.199 46.666 10.456 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 79.428 47.576 10.271 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 80.033 46.197 10.427 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 44.465 86.239 30.374 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 44.455 86.344 29.422 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 43.585 86.493 30.652 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 74.218 1.127 55.003 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 73.658 1.369 54.265 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 75.109 1.287 54.691 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 46.905 55.892 -10.339 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 46.433 56.715 -10.465 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 47.785 56.159 -10.070 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 42.602 26.836 -19.523 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 43.422 27.304 -19.368 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 41.937 27.363 -19.081 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 24.962 67.630 62.502 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 25.790 68.065 62.706 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 25.206 66.908 61.923 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 82.893 92.949 -5.327 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 82.799 93.863 -5.594 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 83.838 92.803 -5.300 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 72.246 64.102 15.173 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 71.575 63.785 15.778 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 71.767 64.306 14.369 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 48.314 4.027 48.233 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 47.391 4.078 47.984 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 48.481 3.091 48.343 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 40.198 59.426 58.188 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 39.354 59.497 57.741 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 40.129 58.623 58.704 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 64.384 94.972 27.477 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 63.507 94.604 27.372 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 64.236 95.845 27.839 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 47.844 71.852 32.984 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 47.691 72.710 33.380 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 48.496 71.439 33.549 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 77.675 79.805 -2.580 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 78.133 79.690 -3.412 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 77.912 79.032 -2.067 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 29.467 10.895 -5.627 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 29.332 11.033 -6.564 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 28.661 11.210 -5.219 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 31.823 83.846 28.831 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 32.557 83.470 29.318 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 32.208 84.574 28.342 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 46.567 69.853 -16.097 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 45.631 69.661 -16.147 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 46.664 70.374 -15.300 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 70.078 88.032 30.823 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 69.126 87.935 30.843 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 70.388 87.258 30.354 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 74.736 57.654 -14.515 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 75.321 57.860 -13.785 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 74.570 56.715 -14.431 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 20.554 94.127 -9.088 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 21.244 93.643 -8.635 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 20.183 94.700 -8.417 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 77.303 55.741 15.889 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 77.906 55.064 16.196 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 76.894 56.077 16.686 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 37.871 84.170 11.293 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 38.400 84.043 10.506 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 38.508 84.342 11.986 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 54.553 0.691 19.747 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 54.081 0.161 20.388 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 54.722 1.519 20.198 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 64.423 16.546 39.746 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 64.807 15.670 39.709 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 64.412 16.843 38.836 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 22.375 6.617 8.235 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 22.037 5.734 8.386 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 22.142 7.102 9.026 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 40.899 69.007 27.328 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 40.719 68.979 26.388 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 41.853 69.048 27.389 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 58.769 61.545 32.649 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 57.978 61.120 32.981 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 58.509 61.910 31.804 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 57.591 23.311 20.662 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 57.098 23.493 21.462 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 57.896 24.169 20.367 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 89.087 49.688 31.462 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 89.072 49.201 32.285 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 88.721 49.082 30.817 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 45.409 48.911 49.889 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 45.891 49.616 49.455 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 44.703 48.694 49.281 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 85.768 84.230 47.763 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 85.045 84.753 47.418 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 86.162 83.826 46.990 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 42.657 89.986 27.748 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 42.461 90.669 27.107 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 43.610 89.900 27.723 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 33.210 11.664 35.983 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 33.426 12.586 36.120 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 32.734 11.649 35.153 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 60.080 8.259 8.227 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 60.272 9.104 7.821 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 59.238 8.389 8.664 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 71.249 14.248 -8.935 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 71.304 13.619 -9.655 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 71.811 13.881 -8.253 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 28.456 5.614 10.381 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 28.277 5.780 9.455 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 28.585 6.484 10.759 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 65.310 52.796 16.075 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 65.342 51.875 16.334 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 64.377 53.011 16.069 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 57.252 83.407 3.579 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 56.309 83.564 3.621 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 57.351 82.712 2.929 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 75.858 19.283 53.857 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 76.004 18.461 53.388 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 75.435 19.853 53.215 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 34.136 57.346 -8.735 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 33.834 56.439 -8.792 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 34.128 57.543 -7.798 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 38.469 3.521 38.338 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 39.116 4.022 37.841 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 38.556 2.626 38.011 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 66.569 75.870 7.546 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 66.730 75.061 8.032 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 66.226 76.479 8.200 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 53.990 1.106 3.223 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 54.512 1.592 3.861 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 53.535 0.442 3.742 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 53.373 45.774 -2.791 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 54.025 46.207 -2.239 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 53.814 45.654 -3.632 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 29.912 80.805 10.581 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 29.609 80.628 11.472 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 30.788 81.174 10.695 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 66.048 14.261 42.236 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 66.605 13.869 42.908 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 65.419 13.574 42.014 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 35.463 30.275 46.082 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 34.992 29.742 45.441 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 35.705 31.068 45.603 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 80.700 88.256 -2.831 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 81.637 88.376 -2.679 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 80.634 88.037 -3.761 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 88.599 63.545 17.431 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 89.518 63.384 17.216 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 88.326 64.229 16.819 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 59.654 48.179 49.797 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 60.033 47.318 49.976 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 59.954 48.728 50.521 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 34.296 68.785 63.499 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 34.416 67.841 63.602 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 33.489 68.978 63.975 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 67.464 2.162 67.082 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 66.670 1.747 67.420 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 67.862 1.498 66.520 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 56.679 93.918 20.305 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 55.792 93.694 20.024 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 57.248 93.495 19.663 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 80.644 59.570 59.300 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 80.303 59.203 60.116 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 79.976 60.196 59.020 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 30.553 91.379 48.434 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 31.361 91.126 48.882 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 30.848 91.765 47.609 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 88.554 92.346 29.914 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 87.915 92.612 29.252 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 89.399 92.615 29.553 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 86.118 65.922 -11.038 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 86.677 66.452 -10.469 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 86.251 65.024 -10.735 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 22.176 56.335 21.319 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 22.821 55.658 21.118 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 21.330 55.899 21.218 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 87.634 36.907 3.537 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 88.492 36.888 3.961 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 87.051 36.469 4.157 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 83.971 50.913 -6.973 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 84.093 51.863 -6.953 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 84.784 50.574 -7.348 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 51.446 78.049 45.527 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 52.341 77.763 45.709 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 50.999 77.259 45.221 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 80.933 16.754 39.343 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 81.573 16.580 40.033 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 81.456 17.063 38.602 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 76.958 72.116 29.359 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 76.402 71.845 30.089 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 76.778 71.477 28.670 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 76.078 26.274 66.109 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 76.638 26.071 66.857 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 75.191 26.281 66.468 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 89.533 1.500 57.397 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 88.660 1.890 57.434 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 89.976 1.828 58.180 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 61.565 56.368 28.111 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 60.750 56.591 28.561 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 61.283 55.984 27.280 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 79.077 52.669 -16.921 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 78.695 52.425 -16.078 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 78.996 53.622 -16.954 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 67.291 77.188 39.607 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 67.320 76.773 38.745 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 66.390 77.497 39.694 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 88.975 92.137 -14.554 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 89.005 91.230 -14.252 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 89.889 92.361 -14.731 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 44.410 87.633 3.986 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 44.180 87.092 4.742 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 45.100 87.142 3.540 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 21.231 28.741 59.103 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 21.774 29.356 59.597 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 21.636 27.887 59.256 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 57.119 38.699 -0.110 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 56.998 37.771 -0.313 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 56.232 39.031 0.030 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 21.292 73.154 -3.026 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 22.114 73.616 -3.183 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 21.500 72.519 -2.340 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 73.294 78.829 -8.665 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 73.436 79.767 -8.789 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 72.517 78.775 -8.108 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 31.162 86.992 27.276 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 30.927 87.061 28.201 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 32.037 86.605 27.279 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 65.410 85.117 59.321 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 65.589 85.738 60.027 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 65.424 85.649 58.525 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 81.955 88.704 50.944 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 81.884 89.344 50.235 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 81.077 88.667 51.323 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 84.461 49.268 13.425 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 84.763 50.149 13.206 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 84.757 49.129 14.325 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 49.702 12.594 49.904 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 49.923 13.050 49.092 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 48.806 12.869 50.098 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 51.521 68.663 7.602 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 52.007 67.881 7.862 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 50.815 68.731 8.245 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 63.305 62.859 30.673 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 62.457 62.468 30.462 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 63.294 63.709 30.234 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 20.610 34.609 34.375 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 21.224 35.333 34.498 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 20.446 34.592 33.432 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 70.674 56.794 18.333 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 69.913 56.924 18.899 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 70.528 55.941 17.926 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 53.102 8.792 8.103 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 52.379 8.592 7.510 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 52.733 9.415 8.730 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 42.961 50.356 -18.925 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 43.721 50.331 -18.344 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 43.300 50.706 -19.749 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 84.289 64.502 18.633 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 84.557 64.221 19.507 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 83.339 64.604 18.695 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 77.845 94.980 -18.685 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 78.155 95.587 -18.014 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 76.970 94.725 -18.393 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 30.419 29.831 66.070 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 30.078 30.668 65.755 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 31.210 29.683 65.552 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 37.675 11.028 18.694 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 38.018 10.927 17.806 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 38.003 11.879 18.982 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 69.258 95.877 26.398 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 69.491 95.490 27.243 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 68.313 96.019 26.451 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 65.885 87.465 44.005 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 66.527 87.149 44.641 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 65.431 88.177 44.455 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 21.507 3.057 64.731 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 22.303 2.674 64.362 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 20.933 2.308 64.890 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 50.403 18.687 -12.015 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 50.154 18.987 -12.889 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 51.358 18.746 -12.004 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 35.163 51.112 34.316 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 35.193 51.703 35.069 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 35.651 50.339 34.598 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 78.378 55.653 23.553 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 78.523 55.213 24.390 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 77.687 55.143 23.130 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 35.602 71.648 -18.997 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 35.526 70.842 -19.508 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 36.084 72.248 -19.566 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 30.672 34.309 7.830 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 29.772 34.559 8.037 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 31.094 35.127 7.565 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 69.471 81.986 8.092 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 69.035 81.455 7.426 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 68.773 82.227 8.701 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 67.953 28.443 31.859 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 67.816 27.624 32.336 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 67.764 28.225 30.947 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 65.847 88.344 41.022 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 65.496 87.669 41.603 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 65.135 88.977 40.932 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 86.635 84.070 53.678 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 87.529 83.729 53.708 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 86.631 84.667 52.930 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 38.038 89.948 -4.408 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 38.818 89.743 -4.924 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 38.288 89.749 -3.506 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 54.990 65.929 27.986 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 55.553 65.292 28.427 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 54.739 65.501 27.168 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 67.811 63.316 -11.337 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 67.393 63.447 -12.188 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 67.782 62.369 -11.199 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 59.501 55.841 23.421 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 59.032 55.022 23.266 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 58.812 56.494 23.544 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 86.022 1.871 59.491 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 86.491 1.080 59.755 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 86.142 2.477 60.223 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 67.259 49.663 -19.521 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 66.450 49.642 -19.011 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 67.671 50.494 -19.283 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 85.411 78.649 2.077 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 84.987 77.875 1.705 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 85.856 78.325 2.860 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 71.635 38.864 40.079 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 71.630 38.482 39.202 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 72.517 39.224 40.180 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 27.831 84.537 -17.391 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 26.991 84.358 -16.969 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 27.765 84.116 -18.248 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 87.585 80.844 66.105 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 86.908 81.463 66.377 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 87.185 79.983 66.225 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 24.140 63.187 14.486 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 23.786 64.017 14.804 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 23.809 62.533 15.102 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 24.579 54.822 17.426 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 24.654 55.128 16.523 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 25.038 55.484 17.943 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 50.996 21.697 0.744 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 50.465 22.369 1.170 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 51.822 22.136 0.542 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 50.457 49.583 -6.500 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 50.472 50.511 -6.733 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 50.998 49.525 -5.713 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 36.415 14.043 48.166 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 37.030 13.322 48.303 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 36.944 14.740 47.780 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 33.624 76.594 49.767 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 34.278 76.590 50.466 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 33.387 77.516 49.666 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 63.491 21.337 0.830 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 63.661 20.890 1.659 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 64.132 20.968 0.223 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 28.241 29.730 51.062 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 28.920 29.139 50.736 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 28.696 30.302 51.680 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 83.560 80.284 9.556 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 83.807 79.413 9.245 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 84.101 80.424 10.334 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 78.228 82.590 65.638 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 78.742 81.861 65.985 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 77.609 82.801 66.337 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 70.482 64.360 13.109 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 71.016 63.808 12.539 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 69.602 64.310 12.735 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 53.549 3.714 12.993 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 54.043 4.027 13.751 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 52.637 3.917 13.201 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 34.061 92.381 42.868 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 34.550 91.583 42.662 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 33.646 92.627 42.042 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 33.328 95.998 8.053 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 34.029 96.186 8.677 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 33.596 96.444 7.249 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 90.164 88.642 3.758 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 90.468 87.924 4.313 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 89.349 88.319 3.373 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 50.840 76.873 62.472 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 51.413 76.300 62.983 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 51.389 77.626 62.253 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 61.930 81.910 40.441 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 62.441 82.115 39.658 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 61.505 81.076 40.239 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 66.481 74.405 18.033 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 66.388 75.257 17.608 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 65.583 74.114 18.189 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 29.518 56.789 37.384 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 29.839 57.654 37.640 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 29.606 56.774 36.431 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 54.336 40.011 45.845 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 54.709 40.838 45.540 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 54.107 39.541 45.044 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 61.962 65.894 31.017 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 61.996 66.511 30.286 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 61.031 65.698 31.122 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 46.250 13.467 23.589 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 45.662 13.074 22.945 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 46.891 13.949 23.067 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 83.526 29.679 49.675 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 84.186 30.096 49.121 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 83.561 30.167 50.498 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 29.569 49.820 61.178 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 29.632 49.820 62.133 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 29.820 48.933 60.921 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 58.450 83.307 63.639 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 57.635 83.015 64.048 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 59.074 82.604 63.820 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 42.166 20.957 26.368 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 42.598 20.902 25.516 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 41.440 21.566 26.230 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 68.150 41.676 -11.300 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 67.890 40.834 -10.926 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 67.359 42.213 -11.255 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 46.047 46.828 -18.085 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 46.602 46.109 -18.390 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 46.028 47.444 -18.817 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 65.843 87.821 10.198 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 65.105 87.373 10.611 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 65.438 88.490 9.646 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 67.035 29.264 0.384 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 67.443 29.828 1.041 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 66.113 29.519 0.387 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 72.580 22.787 0.925 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 73.228 23.317 0.459 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 72.315 23.331 1.667 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 27.175 75.935 63.839 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 26.669 76.666 63.484 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 27.489 76.250 64.686 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 33.872 86.197 -14.849 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 34.452 86.459 -15.564 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 33.865 86.951 -14.259 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 47.088 38.165 -8.156 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 46.227 38.022 -7.763 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 47.207 37.424 -8.750 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 52.518 88.944 -16.970 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 52.543 88.310 -16.253 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 51.596 88.983 -17.224 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 36.650 79.332 56.236 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 37.472 78.843 56.189 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 36.838 80.160 55.794 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 62.664 51.826 -4.168 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 62.678 52.394 -3.397 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 62.415 50.966 -3.828 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 54.974 38.248 37.647 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 54.719 39.143 37.421 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 55.357 37.897 36.842 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 29.581 78.219 41.768 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 30.070 77.421 41.973 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 30.255 78.880 41.611 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 61.575 50.433 -17.066 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 62.211 50.211 -16.386 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 61.666 51.379 -17.179 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 76.509 43.799 44.707 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 76.814 44.485 45.301 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 75.654 44.105 44.405 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 58.754 41.771 -10.254 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 59.022 42.129 -9.408 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 57.872 42.116 -10.392 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 42.269 10.287 51.243 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 41.856 11.073 51.599 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 43.160 10.305 51.591 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 78.465 85.444 52.708 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 77.731 85.424 53.322 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 78.141 84.989 51.931 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 50.094 1.793 -0.687 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 50.409 1.526 0.176 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 49.581 2.583 -0.522 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 26.729 16.096 53.083 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 27.501 16.661 53.082 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 27.016 15.298 53.527 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 62.682 76.937 -12.748 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 62.423 76.912 -11.827 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 63.545 76.523 -12.765 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 52.121 41.499 -14.125 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 51.807 42.232 -14.653 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 51.349 40.948 -13.995 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 36.462 57.417 1.813 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 36.664 56.488 1.707 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 37.184 57.762 2.339 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 48.728 32.937 5.276 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 48.299 33.044 6.124 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 49.601 32.606 5.488 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 78.369 68.339 21.126 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 78.405 67.927 20.263 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 77.671 67.873 21.586 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 36.515 94.753 5.475 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 35.906 94.840 4.742 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 36.097 94.121 6.061 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 63.435 13.983 37.447 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 63.347 13.641 36.557 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 64.380 14.022 37.595 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 27.123 14.600 -12.433 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 26.511 14.158 -13.022 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 27.899 14.039 -12.427 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 42.457 90.608 44.270 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 42.704 90.811 45.172 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 42.152 91.441 43.911 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 35.457 2.702 -8.572 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 34.918 2.336 -9.272 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 35.850 1.940 -8.148 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 50.597 28.620 29.153 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 49.651 28.665 29.015 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 50.970 28.656 28.272 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 72.281 89.883 26.636 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 72.039 89.051 27.044 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 72.460 89.659 25.722 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 22.199 80.938 7.557 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 21.563 80.796 8.258 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 22.630 81.761 7.788 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 66.247 9.574 38.044 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 66.183 10.021 38.888 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 66.191 10.276 37.396 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 69.475 58.036 -5.498 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 70.300 58.208 -5.045 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 68.840 58.607 -5.065 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 52.334 63.863 47.630 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 52.819 64.106 46.842 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 52.425 62.912 47.685 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 56.098 87.077 31.384 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 55.399 86.522 31.038 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 55.978 87.052 32.333 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 46.456 79.877 -17.751 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 46.419 80.463 -16.995 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 47.022 80.327 -18.378 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 67.632 82.354 45.144 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 67.071 81.676 44.765 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 68.214 81.879 45.737 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 78.118 82.418 7.461 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 78.885 81.859 7.338 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 77.982 82.830 6.608 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 89.275 53.506 14.504 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 88.595 54.103 14.191 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 89.033 53.321 15.411 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 37.870 65.542 1.880 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 38.377 65.665 1.078 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 38.497 65.694 2.586 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 25.119 62.260 -6.395 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 25.433 61.397 -6.125 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 24.327 62.401 -5.877 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 70.786 12.438 40.615 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 71.423 11.809 40.277 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 69.981 12.247 40.132 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 34.414 57.964 30.949 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 35.226 57.458 30.964 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 34.699 58.877 30.956 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 37.248 3.675 -0.542 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 37.486 2.816 -0.892 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 37.604 3.679 0.346 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 88.591 5.082 52.790 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 88.685 5.699 52.064 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 87.835 4.545 52.552 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 35.055 21.857 48.532 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 35.387 21.398 49.304 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 35.035 22.778 48.790 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 83.973 55.778 28.943 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 83.863 54.939 28.495 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 83.467 56.399 28.418 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 27.018 73.718 16.859 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 27.280 72.803 16.964 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 26.133 73.674 16.497 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 35.518 2.781 10.491 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 34.904 3.365 10.045 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 36.240 2.674 9.872 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 22.187 72.582 33.427 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 22.393 73.171 34.153 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 21.734 73.134 32.791 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 39.758 93.853 -2.921 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 39.291 93.988 -3.745 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 39.077 93.598 -2.298 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 23.930 50.387 65.807 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 24.413 50.959 66.404 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 24.080 49.505 66.145 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 22.709 85.699 50.741 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 22.569 86.644 50.807 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 23.458 85.609 50.151 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 60.341 82.745 1.172 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 59.520 82.256 1.116 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 60.999 82.085 1.390 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 80.873 87.816 46.368 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 80.409 87.807 47.205 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 80.439 87.141 45.846 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 65.768 57.781 -7.441 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 65.859 57.115 -8.123 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 65.252 57.355 -6.757 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 37.965 55.857 28.819 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 37.818 56.780 28.613 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 38.912 55.783 28.931 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 53.870 53.477 -14.566 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 53.456 53.817 -13.773 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 54.145 52.591 -14.331 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 46.353 91.569 23.245 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 45.559 91.403 23.753 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 46.817 90.732 23.245 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 76.001 95.130 -14.732 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 75.302 95.783 -14.762 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 75.641 94.372 -15.193 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 34.260 17.667 45.830 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 33.917 18.490 45.483 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 34.048 17.017 45.160 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 21.311 91.819 34.002 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 21.972 91.317 34.479 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 21.553 92.734 34.146 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 71.398 60.680 -16.912 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 71.930 60.286 -17.604 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 72.031 61.117 -16.342 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 84.167 93.623 23.680 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 83.561 93.828 22.969 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 83.633 93.156 24.323 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 78.396 85.068 63.387 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 77.761 85.177 62.679 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 78.080 84.310 63.879 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 88.530 54.029 64.747 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 88.565 53.317 65.387 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 89.147 53.767 64.064 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 81.932 55.259 25.892 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 82.271 54.660 26.557 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 80.985 55.119 25.902 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 79.958 89.190 9.229 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 79.581 88.399 8.843 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 79.815 89.089 10.170 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 79.185 76.945 24.330 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 78.430 77.165 24.875 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 79.921 76.912 24.941 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 89.024 85.824 60.328 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 89.739 86.439 60.165 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 89.219 85.076 59.763 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 62.956 92.411 -6.262 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 63.424 93.175 -6.597 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 63.247 92.330 -5.354 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 59.517 14.980 18.269 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 60.064 14.226 18.487 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 60.103 15.733 18.350 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 43.058 30.588 56.713 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 43.599 30.799 55.952 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 42.409 31.291 56.749 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 57.659 3.885 64.852 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 58.205 3.889 65.638 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 57.032 3.177 64.998 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 72.017 54.554 -10.729 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 71.137 54.567 -11.107 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 72.143 53.648 -10.446 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 88.407 20.933 -2.597 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 87.991 21.570 -2.016 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 89.190 21.378 -2.920 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 35.476 29.347 54.025 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 35.487 28.468 53.647 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 36.330 29.716 53.799 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 82.417 6.645 54.811 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 82.666 7.569 54.825 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 82.689 6.310 55.665 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 64.313 7.732 64.181 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 64.645 6.838 64.260 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 63.514 7.739 64.708 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 66.291 3.701 29.727 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 66.518 4.285 30.450 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 66.530 2.828 30.039 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 21.993 70.119 34.551 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 22.425 70.777 34.006 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 21.369 69.694 33.963 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 30.286 30.404 62.147 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 30.527 29.577 61.729 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 30.960 31.022 61.862 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 50.491 80.237 59.216 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 51.324 80.660 59.425 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 50.733 79.350 58.949 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 85.991 82.598 56.211 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 85.470 82.610 55.407 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 86.669 83.258 56.067 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 21.618 5.442 46.996 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 22.111 6.045 46.439 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 21.962 4.577 46.776 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 32.846 44.201 53.937 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 33.516 43.747 53.425 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 32.823 45.085 53.572 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 66.936 6.961 42.915 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 67.757 6.469 42.903 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 66.657 6.940 43.830 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 46.916 64.945 1.499 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 47.689 65.081 2.047 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 46.293 64.496 2.071 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 34.535 17.336 54.154 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 35.200 17.819 54.646 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 35.034 16.717 53.621 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 83.093 56.454 39.203 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 82.277 56.947 39.280 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 82.984 55.713 39.800 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 61.709 4.650 17.204 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 62.365 5.165 16.735 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 62.196 3.906 17.559 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 42.189 25.135 53.326 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 42.417 26.062 53.254 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 42.972 24.672 53.029 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 24.211 1.578 -19.691 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 23.425 1.610 -20.236 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 24.063 2.241 -19.017 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 83.981 46.033 57.062 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 83.090 46.157 56.735 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 83.867 45.606 57.911 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 52.923 12.724 14.858 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 52.798 13.509 14.325 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 53.631 12.954 15.461 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 60.789 93.016 8.616 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 59.850 92.833 8.587 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 61.186 92.189 8.888 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 74.222 45.588 36.737 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 73.414 45.603 36.223 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 74.014 45.041 37.495 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 52.207 28.829 -17.322 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 52.161 29.005 -16.382 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 51.301 28.891 -17.622 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 70.923 17.067 10.655 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 70.776 16.137 10.482 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 71.796 17.241 10.305 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 54.169 72.780 31.335 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 53.876 72.163 30.665 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 53.890 72.387 32.162 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 42.124 72.574 2.297 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 42.006 72.386 3.229 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 42.420 71.745 1.921 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 27.120 13.398 -2.633 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 28.059 13.230 -2.708 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 26.859 13.691 -3.506 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 20.671 93.684 20.988 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 20.994 94.542 21.261 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 20.177 93.362 21.743 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 49.276 25.933 -16.918 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 50.193 25.671 -16.836 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 48.881 25.693 -16.080 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 86.249 78.327 23.021 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 85.670 78.099 22.295 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 85.806 77.986 23.798 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 81.092 43.010 65.992 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 81.101 42.617 65.120 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 80.338 43.600 65.982 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 26.303 61.684 -17.782 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 25.803 62.196 -17.146 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 26.209 60.778 -17.488 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 21.178 38.316 -7.108 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 21.887 37.955 -6.575 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 21.423 38.106 -8.009 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 78.970 94.517 -11.170 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 78.132 94.884 -11.453 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 79.522 94.551 -11.951 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 39.681 73.764 19.579 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 39.491 73.496 20.478 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 40.637 73.764 19.525 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 67.869 90.455 53.122 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 68.549 90.798 53.702 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 67.678 89.582 53.466 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 71.352 19.283 7.119 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 70.673 18.646 7.341 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 70.899 20.127 7.119 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 72.644 19.587 4.618 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 72.191 19.459 5.451 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 72.139 20.266 4.171 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 78.073 84.010 -10.757 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 77.311 83.545 -10.411 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 78.340 84.595 -10.048 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 24.251 63.959 -17.912 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 23.485 63.394 -17.808 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 24.289 64.140 -18.851 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 52.132 60.731 57.189 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 51.235 60.552 56.906 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 52.572 61.054 56.404 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 21.536 39.591 -16.096 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 21.893 40.264 -16.675 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 22.297 39.247 -15.629 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 65.502 40.120 -16.249 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 65.784 40.191 -17.161 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 65.400 41.027 -15.958 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 40.729 77.868 58.353 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 40.908 78.736 58.715 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 41.443 77.320 58.680 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 26.889 8.796 3.558 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 27.189 9.592 3.118 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 27.313 8.084 3.079 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 72.866 56.959 24.851 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 72.208 56.497 24.331 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 72.359 57.432 25.511 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 52.007 81.804 66.034 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 51.715 81.774 66.945 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 52.808 81.280 66.022 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 45.988 90.181 44.086 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 46.513 90.672 43.453 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 45.664 89.426 43.594 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 72.695 26.879 3.940 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 73.477 26.485 4.327 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 72.098 27.003 4.678 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 37.667 86.466 51.063 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 37.941 87.215 51.592 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 36.893 86.774 50.592 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 52.740 20.475 66.345 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 53.264 20.248 65.577 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 51.926 20.827 65.984 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 63.376 94.209 11.411 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 63.993 93.968 12.102 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 62.550 93.805 11.677 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 88.102 45.404 56.010 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 88.088 46.339 56.215 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 88.397 44.986 56.820 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 61.962 59.676 29.958 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 61.780 59.709 29.018 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 61.098 59.645 30.368 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 70.159 70.389 39.481 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 69.692 69.567 39.634 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 70.346 70.387 38.542 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 71.227 35.244 5.686 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 71.403 36.065 6.145 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 71.960 34.675 5.922 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 86.099 82.082 39.859 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 85.488 82.533 39.275 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 86.146 81.190 39.514 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 28.000 11.005 30.712 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 28.765 10.677 31.183 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 27.572 11.597 31.331 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 34.032 80.912 59.652 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 34.773 80.796 59.058 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 33.356 80.327 59.310 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 33.458 63.167 14.368 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 34.084 63.708 14.851 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 33.476 63.517 13.477 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 42.677 24.683 5.014 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 42.412 25.060 4.175 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 43.511 25.107 5.215 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 25.421 68.007 5.120 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 25.993 68.562 5.649 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 24.733 67.727 5.723 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 63.555 41.560 -18.554 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 64.498 41.406 -18.619 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 63.317 41.955 -19.393 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 37.874 70.531 -4.618 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 37.219 70.658 -3.932 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 38.546 69.984 -4.210 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 62.803 51.622 41.472 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 62.402 51.969 40.675 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 62.539 52.234 42.159 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 20.958 92.316 28.872 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 21.533 91.875 29.498 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 21.286 93.214 28.836 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 56.478 79.037 64.055 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 57.337 79.368 64.316 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 55.877 79.382 64.715 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 75.487 67.558 -14.883 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 74.552 67.477 -15.071 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 75.593 67.165 -14.017 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 43.315 1.195 -8.136 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 43.301 0.474 -7.507 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 44.143 1.089 -8.605 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 70.549 8.937 54.613 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 70.039 9.129 53.826 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 70.165 9.493 55.290 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 39.703 92.848 26.016 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 39.866 93.567 26.627 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 38.765 92.673 26.097 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 69.101 60.112 56.602 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 68.370 60.026 57.215 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 69.154 61.050 56.423 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 70.924 30.638 36.098 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 70.649 31.552 36.179 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 70.404 30.295 35.371 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 30.929 19.918 -9.517 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 31.079 20.015 -8.576 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 30.233 20.545 -9.715 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 77.626 64.027 53.779 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 77.964 64.425 54.581 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 77.229 64.754 53.300 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 29.887 53.212 35.411 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 29.094 53.480 34.948 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 29.668 53.305 36.338 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 47.475 51.625 5.627 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 47.497 52.572 5.491 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 48.328 51.419 6.008 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 70.660 84.857 24.562 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 69.704 84.842 24.607 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 70.872 84.352 23.778 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 34.569 48.113 49.632 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 34.579 49.069 49.585 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 33.794 47.857 49.132 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 54.026 75.601 61.872 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 54.712 76.263 61.788 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 54.268 75.104 62.653 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 69.439 8.652 49.224 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 68.483 8.621 49.187 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 69.639 9.534 49.536 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 70.213 13.481 3.927 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 70.731 12.725 3.653 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 69.358 13.116 4.155 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 49.088 82.008 -8.747 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 48.215 81.642 -8.886 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 49.127 82.765 -9.333 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 28.967 3.612 57.829 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 29.291 4.133 58.564 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 29.005 2.708 58.141 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 57.264 9.180 55.552 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 56.388 9.479 55.308 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 57.436 8.440 54.970 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 60.344 83.985 52.459 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 60.918 84.487 53.038 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 59.971 83.307 53.022 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 57.018 91.198 25.417 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 57.912 91.537 25.356 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 56.945 90.583 24.688 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 87.202 71.952 31.751 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 87.543 71.961 30.857 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 86.669 72.745 31.813 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 65.564 55.661 62.611 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 65.137 56.043 61.844 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 64.935 55.783 63.322 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 79.157 40.477 51.173 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 79.965 40.018 51.402 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 78.462 39.949 51.564 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 80.611 75.271 27.049 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 81.326 74.882 27.552 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 79.820 74.860 27.399 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 66.618 24.974 -19.101 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 66.117 25.677 -18.689 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 67.046 25.391 -19.849 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 36.975 94.310 64.022 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 37.868 93.982 63.921 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 37.047 95.253 63.878 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 79.089 55.550 44.196 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 79.159 55.529 43.242 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 78.299 56.063 44.367 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 89.932 11.320 52.608 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 90.353 11.803 53.319 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 89.011 11.270 52.865 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 45.082 50.165 58.654 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 44.236 50.469 58.982 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 45.296 50.771 57.944 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 33.742 24.914 14.200 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 34.163 25.025 13.348 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 32.860 24.604 13.994 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 73.583 34.457 13.102 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 73.851 35.152 13.703 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 72.670 34.656 12.896 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 66.060 69.293 34.760 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 65.320 69.442 34.171 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 65.860 68.462 35.190 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 61.078 0.909 64.448 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 61.839 1.476 64.323 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 61.386 0.036 64.202 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 51.358 24.715 54.179 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 50.452 24.836 54.462 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 51.398 23.805 53.885 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 45.878 69.267 66.754 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 44.955 69.425 66.558 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 46.353 69.815 66.130 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 37.823 51.699 54.331 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 37.340 50.929 54.631 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 37.378 51.964 53.527 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 31.168 75.481 50.761 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 31.411 75.820 51.623 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 31.845 75.815 50.172 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 35.557 65.579 63.347 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 36.417 65.382 63.718 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 35.692 65.549 62.400 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 89.754 57.421 -10.049 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 89.666 56.541 -9.681 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 89.605 58.007 -9.307 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 46.189 37.367 12.342 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 45.636 36.604 12.513 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 46.372 37.729 13.209 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 33.856 36.299 51.191 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 34.306 35.454 51.226 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 34.562 36.944 51.151 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 51.504 76.840 -9.645 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 50.634 76.874 -9.249 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 51.642 75.913 -9.841 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 40.623 91.421 -15.557 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 41.136 91.570 -16.350 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 40.905 90.560 -15.246 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 77.908 49.773 -4.304 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 77.262 49.115 -4.560 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 77.651 50.029 -3.418 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 51.402 69.759 59.813 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 51.583 70.214 60.635 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 51.352 70.456 59.159 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 65.867 70.315 -17.292 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 65.162 70.601 -17.873 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 66.539 70.992 -17.379 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 37.767 28.398 50.330 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 38.501 27.885 49.992 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 37.484 28.931 49.588 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 35.708 63.270 -5.293 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 35.936 64.175 -5.506 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 35.053 63.344 -4.599 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 83.189 60.295 -17.402 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 82.615 59.595 -17.092 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 84.073 59.987 -17.202 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 53.230 82.888 30.555 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 52.379 83.121 30.928 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 53.287 81.939 30.663 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 86.906 75.424 46.708 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 86.170 76.033 46.660 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 86.562 74.604 46.354 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 88.346 18.070 39.526 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 88.815 17.742 38.758 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 87.618 17.459 39.642 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 37.326 36.406 29.883 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 37.976 36.679 29.236 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 36.577 36.982 29.728 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 23.459 41.907 32.411 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 24.217 41.324 32.382 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 23.659 42.525 33.115 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 22.390 60.594 23.381 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 22.822 60.974 24.146 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 22.737 61.088 22.639 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 75.166 44.478 -16.552 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 74.919 44.109 -15.704 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 74.358 44.464 -17.064 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 77.133 0.953 41.010 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 77.628 1.225 40.237 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 77.413 1.556 41.699 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 56.178 12.140 -5.143 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 56.893 11.989 -5.761 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 56.166 11.356 -4.594 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 82.802 62.223 23.225 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 82.366 61.373 23.173 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 82.128 62.855 22.974 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 33.087 60.868 36.333 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 33.812 61.012 35.726 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 32.853 61.744 36.641 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 25.289 26.435 46.563 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 24.841 26.870 47.289 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 24.630 26.383 45.871 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 40.571 3.875 42.465 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 40.139 4.713 42.297 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 41.498 4.097 42.551 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 23.080 62.379 21.244 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 23.798 62.678 21.802 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 23.430 62.432 20.354 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 67.403 90.400 46.399 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 67.613 90.075 45.523 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 66.514 90.087 46.564 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 26.286 31.300 9.614 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 27.116 31.685 9.896 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 25.702 31.413 10.364 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 47.352 18.861 -10.570 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 47.780 18.517 -11.354 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 46.714 19.492 -10.903 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 50.489 27.678 61.894 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 49.890 27.738 61.150 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 50.944 28.521 61.905 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 80.086 52.111 57.193 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 79.604 52.926 57.055 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 80.498 51.929 56.348 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 39.301 11.841 32.579 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 39.374 11.345 31.763 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 38.388 11.733 32.844 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 83.701 69.834 44.729 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 83.508 70.295 43.913 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 82.962 70.038 45.301 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 51.562 71.033 46.406 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 51.286 70.522 47.166 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 52.049 70.413 45.863 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 67.743 2.609 -9.583 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 67.614 3.115 -10.385 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 67.697 3.257 -8.880 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 20.205 96.116 43.107 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 20.830 96.486 43.730 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 20.637 95.330 42.772 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 66.051 33.258 41.773 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 65.592 33.163 40.939 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 66.591 34.041 41.663 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 63.734 2.309 62.575 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 64.549 2.036 62.154 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 63.221 1.505 62.650 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 87.579 71.014 -4.276 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 87.524 70.980 -3.321 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 88.376 71.515 -4.453 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 28.915 77.257 -15.397 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 29.821 77.012 -15.586 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 28.934 77.563 -14.490 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 85.796 73.281 -3.628 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 85.048 72.688 -3.560 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 86.554 72.702 -3.711 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 69.064 86.987 19.372 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 69.737 86.520 19.867 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 68.262 86.489 19.529 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 28.029 78.991 38.085 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 27.419 78.257 38.010 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 28.815 78.698 37.623 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 77.369 48.411 62.394 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 76.963 48.538 61.536 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 77.164 49.212 62.877 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 43.225 49.392 -15.663 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 44.036 49.715 -16.055 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 43.108 49.928 -14.879 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 31.863 20.476 -6.936 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 32.089 21.391 -7.103 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 32.663 20.093 -6.575 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 64.008 58.346 31.427 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 63.507 57.531 31.461 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 63.344 59.034 31.382 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 50.699 92.063 5.951 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 49.859 91.796 5.577 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 50.977 91.313 6.476 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 47.827 8.922 -8.621 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 48.646 9.195 -9.035 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 47.528 9.698 -8.147 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 32.694 65.518 58.627 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 31.914 65.339 58.101 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 32.580 64.985 59.414 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 27.999 79.709 65.143 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 28.359 80.547 65.435 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 28.762 79.138 65.053 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 35.014 76.296 57.551 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 35.371 77.094 57.160 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 35.060 76.450 58.494 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 73.609 44.283 46.562 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 73.961 43.395 46.631 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 73.745 44.524 45.645 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 81.087 6.468 35.527 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 80.633 6.008 36.233 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 81.320 5.781 34.903 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 81.991 73.016 2.302 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 42.235 79.850 7.109 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 59.022 65.399 64.697 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 58.333 14.773 56.001 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 80.776 20.048 65.808 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 62.827 25.703 -6.879 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 86.150 74.859 51.985 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 69.422 33.891 29.094 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 66.486 40.826 1.952 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 67.502 25.920 11.166 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 36.998 78.411 -16.763 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 65.764 29.162 37.871 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 66.486 2.486 12.733 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 22.837 68.311 62.979 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 22.124 78.559 44.048 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 44.150 44.187 -8.871 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 77.468 39.559 2.479 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 31.393 28.733 35.162 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 59.324 81.598 -14.619 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 61.519 84.751 0.549 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 22.114 58.308 33.724 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 58.907 73.624 54.366 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 78.579 68.763 59.628 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 38.260 32.550 2.780 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 89.234 3.479 -3.582 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 36.745 60.113 63.584 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 76.616 87.712 -4.339 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 54.170 95.736 -1.290 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 68.653 43.705 51.296 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 87.310 90.326 62.562 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 44.773 18.623 64.780 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 58.359 77.633 28.561 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 75.982 16.514 59.388 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 65.320 22.137 54.922 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 73.369 78.745 4.234 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 75.029 40.999 60.712 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 77.014 91.428 57.815 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 72.723 89.636 11.030 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 34.698 91.939 31.296 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 47.615 45.076 2.626 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 42.670 38.713 -18.798 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 72.016 35.227 42.682 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 61.020 22.267 63.021 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 85.447 59.738 -11.267 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 80.690 73.114 11.857 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 78.035 74.078 -17.378 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 76.281 81.756 16.036 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 71.027 40.489 -15.081 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 53.657 92.728 61.502 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 24.203 85.593 5.317 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 34.992 74.659 24.648 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 40.026 7.298 37.152 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 48.049 4.940 -5.909 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 37.574 69.595 56.386 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 80.163 48.748 33.606 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 52.494 23.008 36.738 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 84.914 35.605 -9.933 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 56.308 15.152 -11.297 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 88.699 72.871 -18.991 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 66.353 45.962 62.492 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 21.163 9.054 52.107 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 26.612 49.900 39.101 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 82.834 53.274 42.284 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 56.964 15.048 23.557 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 38.289 36.416 54.809 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 86.686 8.872 39.122 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 28.248 44.587 57.760 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 27.590 34.419 40.525 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 70.209 25.652 -15.726 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 52.761 11.761 -1.669 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 47.517 23.226 -19.055 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 34.560 48.079 39.298 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 30.412 58.984 43.237 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 33.193 50.769 32.806 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 24.646 7.541 7.547 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 69.700 29.760 57.304 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 89.394 93.538 46.409 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 56.902 4.149 23.895 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 24.301 29.346 55.310 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 62.381 69.882 41.311 1.00 0.00 ION NA END