REMARK FINAL VELOCITIES WRITTEN BY NAMD AT TIMESTEP 500 ATOM 1 H5T CYT A 8 6.496 -5.119 -3.204 1.00 0.00 SBOX ATOM 2 O5' CYT A 8 7.312 0.317 0.943 1.00 0.00 SBOX O ATOM 3 C5' CYT A 8 -3.482 1.884 5.019 1.00 0.00 SBOX C ATOM 4 H5' CYT A 8 -10.424 6.743 -13.103 1.00 0.00 SBOX ATOM 5 H5'' CYT A 8 -0.759 -3.594 0.153 1.00 0.00 SBOX ATOM 6 C4' CYT A 8 -0.486 -3.469 0.033 1.00 0.00 SBOX C ATOM 7 H4' CYT A 8 7.182 3.938 4.735 1.00 0.00 SBOX ATOM 8 O4' CYT A 8 3.853 -3.334 6.177 1.00 0.00 SBOX O ATOM 9 C1' CYT A 8 -1.337 -7.046 -1.254 1.00 0.00 SBOX C ATOM 10 H1' CYT A 8 -5.014 -3.730 -1.011 1.00 0.00 SBOX ATOM 11 N1 CYT A 8 4.868 -4.940 -9.917 1.00 0.00 SBOX N ATOM 12 C6 CYT A 8 2.164 -0.454 -2.425 1.00 0.00 SBOX C ATOM 13 H6 CYT A 8 2.571 5.662 -2.923 1.00 0.00 SBOX ATOM 14 C5 CYT A 8 10.548 -3.569 1.747 1.00 0.00 SBOX C ATOM 15 H5 CYT A 8 -2.056 -12.417 -6.134 1.00 0.00 SBOX ATOM 16 C4 CYT A 8 2.477 6.772 -6.417 1.00 0.00 SBOX C ATOM 17 N4 CYT A 8 0.516 -2.717 2.840 1.00 0.00 SBOX N ATOM 18 H41 CYT A 8 -4.879 -7.505 -10.371 1.00 0.00 SBOX ATOM 19 H42 CYT A 8 -19.642 28.915 4.091 1.00 0.00 SBOX ATOM 20 N3 CYT A 8 -1.141 -7.015 -4.348 1.00 0.00 SBOX N ATOM 21 C2 CYT A 8 1.989 1.186 -8.692 1.00 0.00 SBOX C ATOM 22 O2 CYT A 8 -1.922 -0.824 1.055 1.00 0.00 SBOX O ATOM 23 C3' CYT A 8 -0.974 0.068 -7.634 1.00 0.00 SBOX C ATOM 24 H3' CYT A 8 -5.664 12.673 1.234 1.00 0.00 SBOX ATOM 25 C2' CYT A 8 -3.833 4.420 -2.548 1.00 0.00 SBOX C ATOM 26 H2'' CYT A 8 19.017 7.223 -6.238 1.00 0.00 SBOX ATOM 27 O2' CYT A 8 -2.944 -6.996 8.229 1.00 0.00 SBOX O ATOM 28 H2' CYT A 8 8.006 -4.563 -6.314 1.00 0.00 SBOX ATOM 29 O3' CYT A 8 -0.484 0.351 0.974 1.00 0.00 SBOX O ATOM 30 P ADE A 9 3.103 -2.065 0.281 1.00 0.00 SBOX P ATOM 31 O1P ADE A 9 6.151 -0.445 1.200 1.00 0.00 SBOX ATOM 32 O2P ADE A 9 -6.157 3.605 -4.982 1.00 0.00 SBOX ATOM 33 O5' ADE A 9 1.184 -1.878 -4.235 1.00 0.00 SBOX O ATOM 34 C5' ADE A 9 -5.458 -2.305 -3.801 1.00 0.00 SBOX C ATOM 35 H5' ADE A 9 1.830 -5.258 21.758 1.00 0.00 SBOX ATOM 36 H5'' ADE A 9 -5.308 -1.439 -14.611 1.00 0.00 SBOX ATOM 37 C4' ADE A 9 -4.587 1.150 -8.432 1.00 0.00 SBOX C ATOM 38 H4' ADE A 9 2.682 -5.826 -3.920 1.00 0.00 SBOX ATOM 39 O4' ADE A 9 3.786 -0.591 -3.265 1.00 0.00 SBOX O ATOM 40 C1' ADE A 9 -4.468 7.849 2.896 1.00 0.00 SBOX C ATOM 41 H1' ADE A 9 0.310 -2.301 -4.081 1.00 0.00 SBOX ATOM 42 N9 ADE A 9 -3.049 5.385 2.084 1.00 0.00 SBOX N ATOM 43 C8 ADE A 9 1.111 -3.324 2.437 1.00 0.00 SBOX C ATOM 44 H8 ADE A 9 12.214 -8.388 -0.644 1.00 0.00 SBOX ATOM 45 N7 ADE A 9 -2.759 0.905 6.188 1.00 0.00 SBOX N ATOM 46 C5 ADE A 9 -3.490 -5.622 -3.124 1.00 0.00 SBOX C ATOM 47 C6 ADE A 9 -1.015 1.835 -3.150 1.00 0.00 SBOX C ATOM 48 N6 ADE A 9 -1.639 -2.050 8.981 1.00 0.00 SBOX N ATOM 49 H61 ADE A 9 -9.402 23.275 -28.313 1.00 0.00 SBOX ATOM 50 H62 ADE A 9 -7.679 25.004 11.524 1.00 0.00 SBOX ATOM 51 N1 ADE A 9 6.271 -2.891 -8.045 1.00 0.00 SBOX N ATOM 52 C2 ADE A 9 -11.982 10.701 0.496 1.00 0.00 SBOX C ATOM 53 H2 ADE A 9 -3.089 9.602 -2.860 1.00 0.00 SBOX ATOM 54 N3 ADE A 9 2.248 -5.777 -1.407 1.00 0.00 SBOX N ATOM 55 C4 ADE A 9 -1.843 0.553 10.979 1.00 0.00 SBOX C ATOM 56 C3' ADE A 9 -5.557 -1.256 -4.884 1.00 0.00 SBOX C ATOM 57 H3' ADE A 9 -1.169 -9.597 -1.977 1.00 0.00 SBOX ATOM 58 C2' ADE A 9 -1.613 -2.796 -4.068 1.00 0.00 SBOX C ATOM 59 H2'' ADE A 9 -12.576 -0.243 -0.465 1.00 0.00 SBOX ATOM 60 O2' ADE A 9 -2.887 -1.829 -3.494 1.00 0.00 SBOX O ATOM 61 H2' ADE A 9 -24.430 7.462 -4.310 1.00 0.00 SBOX ATOM 62 O3' ADE A 9 -5.960 5.423 5.911 1.00 0.00 SBOX O ATOM 63 P ADE A 10 -2.659 -1.708 -1.727 1.00 0.00 SBOX P ATOM 64 O1P ADE A 10 -0.943 -0.426 6.917 1.00 0.00 SBOX ATOM 65 O2P ADE A 10 3.548 -3.924 -0.561 1.00 0.00 SBOX ATOM 66 O5' ADE A 10 -2.739 7.064 -0.538 1.00 0.00 SBOX O ATOM 67 C5' ADE A 10 -7.470 3.290 1.412 1.00 0.00 SBOX C ATOM 68 H5' ADE A 10 -7.342 1.173 -14.582 1.00 0.00 SBOX ATOM 69 H5'' ADE A 10 -3.895 -2.202 0.727 1.00 0.00 SBOX ATOM 70 C4' ADE A 10 -8.397 -3.959 -0.254 1.00 0.00 SBOX C ATOM 71 H4' ADE A 10 -3.738 -9.695 -10.838 1.00 0.00 SBOX ATOM 72 O4' ADE A 10 0.631 6.456 2.022 1.00 0.00 SBOX O ATOM 73 C1' ADE A 10 -4.036 0.562 6.963 1.00 0.00 SBOX C ATOM 74 H1' ADE A 10 20.113 30.433 29.401 1.00 0.00 SBOX ATOM 75 N9 ADE A 10 -2.606 0.700 -7.785 1.00 0.00 SBOX N ATOM 76 C8 ADE A 10 4.971 -1.773 -2.636 1.00 0.00 SBOX C ATOM 77 H8 ADE A 10 -4.917 -2.010 -0.293 1.00 0.00 SBOX ATOM 78 N7 ADE A 10 -5.635 -1.123 -2.775 1.00 0.00 SBOX N ATOM 79 C5 ADE A 10 0.748 2.243 -1.650 1.00 0.00 SBOX C ATOM 80 C6 ADE A 10 0.144 2.553 -5.067 1.00 0.00 SBOX C ATOM 81 N6 ADE A 10 2.389 -0.266 -4.050 1.00 0.00 SBOX N ATOM 82 H61 ADE A 10 -8.850 2.542 -3.222 1.00 0.00 SBOX ATOM 83 H62 ADE A 10 11.327 9.532 -7.533 1.00 0.00 SBOX ATOM 84 N1 ADE A 10 1.548 9.171 7.915 1.00 0.00 SBOX N ATOM 85 C2 ADE A 10 6.823 4.473 1.946 1.00 0.00 SBOX C ATOM 86 H2 ADE A 10 16.090 16.912 -25.247 1.00 0.00 SBOX ATOM 87 N3 ADE A 10 -3.905 -1.580 -3.200 1.00 0.00 SBOX N ATOM 88 C4 ADE A 10 -3.275 6.441 -3.411 1.00 0.00 SBOX C ATOM 89 C3' ADE A 10 2.211 -3.038 -0.503 1.00 0.00 SBOX C ATOM 90 H3' ADE A 10 10.233 -25.716 26.690 1.00 0.00 SBOX ATOM 91 C2' ADE A 10 -1.794 2.110 -0.143 1.00 0.00 SBOX C ATOM 92 H2'' ADE A 10 -0.022 -2.290 18.546 1.00 0.00 SBOX ATOM 93 O2' ADE A 10 -0.165 -2.159 -2.213 1.00 0.00 SBOX O ATOM 94 H2' ADE A 10 -7.704 -11.553 1.649 1.00 0.00 SBOX ATOM 95 O3' ADE A 10 -4.860 -5.346 0.838 1.00 0.00 SBOX O ATOM 96 P GUA A 11 4.906 -1.588 -4.735 1.00 0.00 SBOX P ATOM 97 O1P GUA A 11 -3.061 -1.740 -2.344 1.00 0.00 SBOX ATOM 98 O2P GUA A 11 -3.476 -4.412 2.033 1.00 0.00 SBOX ATOM 99 O5' GUA A 11 -4.687 -5.276 -2.487 1.00 0.00 SBOX O ATOM 100 C5' GUA A 11 -2.858 4.144 3.992 1.00 0.00 SBOX C ATOM 101 H5' GUA A 11 0.808 -11.352 -7.173 1.00 0.00 SBOX ATOM 102 H5'' GUA A 11 -15.598 -0.962 11.945 1.00 0.00 SBOX ATOM 103 C4' GUA A 11 1.283 -6.414 -1.126 1.00 0.00 SBOX C ATOM 104 H4' GUA A 11 -1.971 -4.170 -15.842 1.00 0.00 SBOX ATOM 105 O4' GUA A 11 2.451 -8.533 -2.251 1.00 0.00 SBOX O ATOM 106 C1' GUA A 11 -0.104 3.712 4.811 1.00 0.00 SBOX C ATOM 107 H1' GUA A 11 -9.958 10.035 2.921 1.00 0.00 SBOX ATOM 108 N9 GUA A 11 2.731 0.173 -2.873 1.00 0.00 SBOX N ATOM 109 C8 GUA A 11 -6.378 2.439 -0.306 1.00 0.00 SBOX C ATOM 110 H8 GUA A 11 25.800 -2.236 -32.675 1.00 0.00 SBOX ATOM 111 N7 GUA A 11 -0.801 0.693 -1.820 1.00 0.00 SBOX N ATOM 112 C5 GUA A 11 -1.426 -3.111 2.939 1.00 0.00 SBOX C ATOM 113 C6 GUA A 11 3.044 7.240 -4.431 1.00 0.00 SBOX C ATOM 114 O6 GUA A 11 2.041 1.269 -6.946 1.00 0.00 SBOX O ATOM 115 N1 GUA A 11 -3.168 -3.789 2.398 1.00 0.00 SBOX N ATOM 116 H1 GUA A 11 -4.610 -13.227 1.705 1.00 0.00 SBOX ATOM 117 C2 GUA A 11 5.045 0.605 3.605 1.00 0.00 SBOX C ATOM 118 N2 GUA A 11 3.587 2.344 -0.535 1.00 0.00 SBOX N ATOM 119 H21 GUA A 11 -0.009 -6.716 3.521 1.00 0.00 SBOX ATOM 120 H22 GUA A 11 11.122 25.628 -40.944 1.00 0.00 SBOX ATOM 121 N3 GUA A 11 0.624 12.802 3.973 1.00 0.00 SBOX N ATOM 122 C4 GUA A 11 -1.232 4.636 -0.349 1.00 0.00 SBOX C ATOM 123 C3' GUA A 11 -1.932 -2.266 2.288 1.00 0.00 SBOX C ATOM 124 H3' GUA A 11 5.805 8.281 -1.861 1.00 0.00 SBOX ATOM 125 C2' GUA A 11 -5.633 -4.584 0.093 1.00 0.00 SBOX C ATOM 126 H2'' GUA A 11 -11.734 -7.304 -18.087 1.00 0.00 SBOX ATOM 127 O2' GUA A 11 2.522 5.820 -1.351 1.00 0.00 SBOX O ATOM 128 H2' GUA A 11 11.794 -5.155 -3.351 1.00 0.00 SBOX ATOM 129 O3' GUA A 11 3.339 2.523 4.518 1.00 0.00 SBOX O ATOM 130 P ADE A 12 3.375 1.805 -2.044 1.00 0.00 SBOX P ATOM 131 O1P ADE A 12 3.846 -0.231 -7.795 1.00 0.00 SBOX ATOM 132 O2P ADE A 12 2.124 0.315 -0.542 1.00 0.00 SBOX ATOM 133 O5' ADE A 12 0.898 13.397 -4.504 1.00 0.00 SBOX O ATOM 134 C5' ADE A 12 6.879 -6.316 1.811 1.00 0.00 SBOX C ATOM 135 H5' ADE A 12 -0.320 -6.027 -2.341 1.00 0.00 SBOX ATOM 136 H5'' ADE A 12 11.879 13.751 18.209 1.00 0.00 SBOX ATOM 137 C4' ADE A 12 -0.441 -5.349 -0.043 1.00 0.00 SBOX C ATOM 138 H4' ADE A 12 -9.763 -4.692 -4.708 1.00 0.00 SBOX ATOM 139 O4' ADE A 12 3.587 -0.106 -0.849 1.00 0.00 SBOX O ATOM 140 C1' ADE A 12 -3.173 -0.655 -2.294 1.00 0.00 SBOX C ATOM 141 H1' ADE A 12 -20.825 -0.481 4.707 1.00 0.00 SBOX ATOM 142 N9 ADE A 12 5.595 -2.932 -0.888 1.00 0.00 SBOX N ATOM 143 C8 ADE A 12 -0.141 -1.910 -3.576 1.00 0.00 SBOX C ATOM 144 H8 ADE A 12 -3.819 -0.211 -0.192 1.00 0.00 SBOX ATOM 145 N7 ADE A 12 -4.103 -0.046 2.677 1.00 0.00 SBOX N ATOM 146 C5 ADE A 12 10.134 5.732 2.330 1.00 0.00 SBOX C ATOM 147 C6 ADE A 12 -4.895 6.069 1.039 1.00 0.00 SBOX C ATOM 148 N6 ADE A 12 6.222 1.476 -4.396 1.00 0.00 SBOX N ATOM 149 H61 ADE A 12 30.595 5.385 -18.288 1.00 0.00 SBOX ATOM 150 H62 ADE A 12 28.194 -26.390 -3.369 1.00 0.00 SBOX ATOM 151 N1 ADE A 12 1.380 -0.502 -2.372 1.00 0.00 SBOX N ATOM 152 C2 ADE A 12 -3.786 -0.188 -1.272 1.00 0.00 SBOX C ATOM 153 H2 ADE A 12 15.243 17.312 -17.955 1.00 0.00 SBOX ATOM 154 N3 ADE A 12 5.046 -2.978 7.871 1.00 0.00 SBOX N ATOM 155 C4 ADE A 12 -1.759 0.713 3.027 1.00 0.00 SBOX C ATOM 156 C3' ADE A 12 -2.372 -5.352 1.761 1.00 0.00 SBOX C ATOM 157 H3' ADE A 12 24.220 -7.144 -3.758 1.00 0.00 SBOX ATOM 158 C2' ADE A 12 -4.073 2.424 -4.875 1.00 0.00 SBOX C ATOM 159 H2'' ADE A 12 -5.155 -11.935 9.048 1.00 0.00 SBOX ATOM 160 O2' ADE A 12 -3.413 4.359 -0.805 1.00 0.00 SBOX O ATOM 161 H2' ADE A 12 -14.569 -20.119 16.777 1.00 0.00 SBOX ATOM 162 O3' ADE A 12 1.224 -4.446 3.586 1.00 0.00 SBOX O ATOM 163 P GUA A 13 0.744 -1.409 -1.478 1.00 0.00 SBOX P ATOM 164 O1P GUA A 13 -1.886 -4.860 -3.643 1.00 0.00 SBOX ATOM 165 O2P GUA A 13 -4.853 2.021 8.019 1.00 0.00 SBOX ATOM 166 O5' GUA A 13 -2.267 -0.609 -0.749 1.00 0.00 SBOX O ATOM 167 C5' GUA A 13 -7.089 -1.761 3.975 1.00 0.00 SBOX C ATOM 168 H5' GUA A 13 -22.710 6.318 8.734 1.00 0.00 SBOX ATOM 169 H5'' GUA A 13 -6.662 -0.798 6.749 1.00 0.00 SBOX ATOM 170 C4' GUA A 13 -0.795 6.652 -3.202 1.00 0.00 SBOX C ATOM 171 H4' GUA A 13 6.696 18.372 2.188 1.00 0.00 SBOX ATOM 172 O4' GUA A 13 5.416 -0.201 6.309 1.00 0.00 SBOX O ATOM 173 C1' GUA A 13 4.904 0.537 -1.140 1.00 0.00 SBOX C ATOM 174 H1' GUA A 13 -18.642 -10.318 16.933 1.00 0.00 SBOX ATOM 175 N9 GUA A 13 2.712 -1.369 0.674 1.00 0.00 SBOX N ATOM 176 C8 GUA A 13 -2.594 -0.593 0.775 1.00 0.00 SBOX C ATOM 177 H8 GUA A 13 7.417 -5.468 -2.351 1.00 0.00 SBOX ATOM 178 N7 GUA A 13 -6.337 -9.317 -4.645 1.00 0.00 SBOX N ATOM 179 C5 GUA A 13 6.362 2.518 -2.675 1.00 0.00 SBOX C ATOM 180 C6 GUA A 13 6.410 -1.258 -1.738 1.00 0.00 SBOX C ATOM 181 O6 GUA A 13 -0.229 4.748 -4.403 1.00 0.00 SBOX O ATOM 182 N1 GUA A 13 3.294 7.108 3.426 1.00 0.00 SBOX N ATOM 183 H1 GUA A 13 -17.186 8.812 24.193 1.00 0.00 SBOX ATOM 184 C2 GUA A 13 15.725 -3.479 -5.503 1.00 0.00 SBOX C ATOM 185 N2 GUA A 13 0.767 0.754 -8.907 1.00 0.00 SBOX N ATOM 186 H21 GUA A 13 2.834 -14.378 0.841 1.00 0.00 SBOX ATOM 187 H22 GUA A 13 -8.841 -14.867 -7.294 1.00 0.00 SBOX ATOM 188 N3 GUA A 13 3.835 -1.003 -2.460 1.00 0.00 SBOX N ATOM 189 C4 GUA A 13 1.528 -0.243 4.448 1.00 0.00 SBOX C ATOM 190 C3' GUA A 13 4.317 -1.894 -7.453 1.00 0.00 SBOX C ATOM 191 H3' GUA A 13 11.184 1.899 10.424 1.00 0.00 SBOX ATOM 192 C2' GUA A 13 1.548 -2.694 -0.892 1.00 0.00 SBOX C ATOM 193 H2'' GUA A 13 5.941 0.376 9.704 1.00 0.00 SBOX ATOM 194 O2' GUA A 13 4.519 4.333 -0.049 1.00 0.00 SBOX O ATOM 195 H2' GUA A 13 -17.581 -18.788 -2.243 1.00 0.00 SBOX ATOM 196 O3' GUA A 13 1.581 2.000 -2.141 1.00 0.00 SBOX O ATOM 197 P ADE A 14 -1.651 -0.799 -1.774 1.00 0.00 SBOX P ATOM 198 O1P ADE A 14 4.323 -10.085 -2.158 1.00 0.00 SBOX ATOM 199 O2P ADE A 14 2.710 2.076 -4.698 1.00 0.00 SBOX ATOM 200 O5' ADE A 14 -4.923 -4.588 0.907 1.00 0.00 SBOX O ATOM 201 C5' ADE A 14 -2.666 1.234 -0.852 1.00 0.00 SBOX C ATOM 202 H5' ADE A 14 5.411 7.277 -6.296 1.00 0.00 SBOX ATOM 203 H5'' ADE A 14 -2.779 -13.866 14.000 1.00 0.00 SBOX ATOM 204 C4' ADE A 14 -4.133 -1.415 3.757 1.00 0.00 SBOX C ATOM 205 H4' ADE A 14 -15.295 29.553 0.763 1.00 0.00 SBOX ATOM 206 O4' ADE A 14 3.427 3.913 2.139 1.00 0.00 SBOX O ATOM 207 C1' ADE A 14 1.194 -0.576 7.060 1.00 0.00 SBOX C ATOM 208 H1' ADE A 14 14.675 -19.185 10.707 1.00 0.00 SBOX ATOM 209 N9 ADE A 14 1.505 -0.023 10.528 1.00 0.00 SBOX N ATOM 210 C8 ADE A 14 -5.033 -7.382 4.820 1.00 0.00 SBOX C ATOM 211 H8 ADE A 14 -3.032 22.770 13.330 1.00 0.00 SBOX ATOM 212 N7 ADE A 14 -9.674 8.067 -0.649 1.00 0.00 SBOX N ATOM 213 C5 ADE A 14 1.413 -2.488 4.727 1.00 0.00 SBOX C ATOM 214 C6 ADE A 14 -4.023 -6.732 -0.408 1.00 0.00 SBOX C ATOM 215 N6 ADE A 14 -2.342 4.413 3.281 1.00 0.00 SBOX N ATOM 216 H61 ADE A 14 5.671 11.892 -8.716 1.00 0.00 SBOX ATOM 217 H62 ADE A 14 20.686 7.145 1.425 1.00 0.00 SBOX ATOM 218 N1 ADE A 14 -4.231 1.844 -4.516 1.00 0.00 SBOX N ATOM 219 C2 ADE A 14 -6.991 5.201 7.180 1.00 0.00 SBOX C ATOM 220 H2 ADE A 14 16.792 16.765 9.249 1.00 0.00 SBOX ATOM 221 N3 ADE A 14 0.889 -3.318 -2.160 1.00 0.00 SBOX N ATOM 222 C4 ADE A 14 2.613 0.270 -5.354 1.00 0.00 SBOX C ATOM 223 C3' ADE A 14 6.136 -2.884 -3.317 1.00 0.00 SBOX C ATOM 224 H3' ADE A 14 28.099 -9.584 20.619 1.00 0.00 SBOX ATOM 225 C2' ADE A 14 -1.838 -0.026 -0.883 1.00 0.00 SBOX C ATOM 226 H2'' ADE A 14 0.682 11.591 -18.187 1.00 0.00 SBOX ATOM 227 O2' ADE A 14 -1.038 -2.222 -4.558 1.00 0.00 SBOX O ATOM 228 H2' ADE A 14 0.000 -10.330 -0.512 1.00 0.00 SBOX ATOM 229 O3' ADE A 14 6.037 -4.977 -1.690 1.00 0.00 SBOX O ATOM 230 P GUA A 15 3.545 -3.827 3.296 1.00 0.00 SBOX P ATOM 231 O1P GUA A 15 -4.284 -0.469 5.049 1.00 0.00 SBOX ATOM 232 O2P GUA A 15 -7.138 1.410 -0.820 1.00 0.00 SBOX ATOM 233 O5' GUA A 15 3.042 0.199 1.295 1.00 0.00 SBOX O ATOM 234 C5' GUA A 15 -2.060 1.296 -0.366 1.00 0.00 SBOX C ATOM 235 H5' GUA A 15 16.468 -25.674 1.419 1.00 0.00 SBOX ATOM 236 H5'' GUA A 15 -11.641 -14.045 -3.093 1.00 0.00 SBOX ATOM 237 C4' GUA A 15 -2.074 -1.017 -7.518 1.00 0.00 SBOX C ATOM 238 H4' GUA A 15 14.962 11.438 -10.845 1.00 0.00 SBOX ATOM 239 O4' GUA A 15 -2.358 -6.909 -1.237 1.00 0.00 SBOX O ATOM 240 C1' GUA A 15 4.607 0.761 -15.422 1.00 0.00 SBOX C ATOM 241 H1' GUA A 15 -15.518 -14.747 -6.304 1.00 0.00 SBOX ATOM 242 N9 GUA A 15 2.852 5.536 -1.870 1.00 0.00 SBOX N ATOM 243 C8 GUA A 15 -2.521 1.772 9.166 1.00 0.00 SBOX C ATOM 244 H8 GUA A 15 -0.397 -16.656 15.806 1.00 0.00 SBOX ATOM 245 N7 GUA A 15 3.703 -3.114 -5.150 1.00 0.00 SBOX N ATOM 246 C5 GUA A 15 6.096 -1.355 -1.352 1.00 0.00 SBOX C ATOM 247 C6 GUA A 15 -3.242 -0.130 -0.449 1.00 0.00 SBOX C ATOM 248 O6 GUA A 15 -0.104 -6.664 1.367 1.00 0.00 SBOX O ATOM 249 N1 GUA A 15 -4.187 1.053 -0.824 1.00 0.00 SBOX N ATOM 250 H1 GUA A 15 -2.841 -26.630 -15.156 1.00 0.00 SBOX ATOM 251 C2 GUA A 15 -3.191 -4.332 -0.057 1.00 0.00 SBOX C ATOM 252 N2 GUA A 15 2.457 -2.796 5.546 1.00 0.00 SBOX N ATOM 253 H21 GUA A 15 2.679 -7.730 3.282 1.00 0.00 SBOX ATOM 254 H22 GUA A 15 7.962 -1.940 3.931 1.00 0.00 SBOX ATOM 255 N3 GUA A 15 2.202 -8.244 -3.875 1.00 0.00 SBOX N ATOM 256 C4 GUA A 15 -2.989 -5.513 -0.816 1.00 0.00 SBOX C ATOM 257 C3' GUA A 15 1.807 2.892 6.728 1.00 0.00 SBOX C ATOM 258 H3' GUA A 15 27.449 22.592 -1.204 1.00 0.00 SBOX ATOM 259 C2' GUA A 15 -4.378 5.382 5.003 1.00 0.00 SBOX C ATOM 260 H2'' GUA A 15 -3.444 1.476 1.558 1.00 0.00 SBOX ATOM 261 O2' GUA A 15 4.435 6.918 -6.074 1.00 0.00 SBOX O ATOM 262 H2' GUA A 15 14.441 -3.288 10.194 1.00 0.00 SBOX ATOM 263 O3' GUA A 15 3.864 -0.209 3.786 1.00 0.00 SBOX O ATOM 264 P GUA A 16 -3.074 -0.296 -7.166 1.00 0.00 SBOX P ATOM 265 O1P GUA A 16 4.467 0.543 -2.020 1.00 0.00 SBOX ATOM 266 O2P GUA A 16 3.602 8.937 1.057 1.00 0.00 SBOX ATOM 267 O5' GUA A 16 -8.018 -1.560 -3.410 1.00 0.00 SBOX O ATOM 268 C5' GUA A 16 3.077 -6.684 1.608 1.00 0.00 SBOX C ATOM 269 H5' GUA A 16 15.236 4.874 10.788 1.00 0.00 SBOX ATOM 270 H5'' GUA A 16 7.655 -0.592 -7.005 1.00 0.00 SBOX ATOM 271 C4' GUA A 16 -1.525 -0.075 4.179 1.00 0.00 SBOX C ATOM 272 H4' GUA A 16 -6.866 1.287 18.264 1.00 0.00 SBOX ATOM 273 O4' GUA A 16 -0.287 2.905 -2.509 1.00 0.00 SBOX O ATOM 274 C1' GUA A 16 6.033 6.057 -0.935 1.00 0.00 SBOX C ATOM 275 H1' GUA A 16 -13.763 -18.081 3.725 1.00 0.00 SBOX ATOM 276 N9 GUA A 16 0.942 -3.036 -1.105 1.00 0.00 SBOX N ATOM 277 C8 GUA A 16 2.533 -7.424 -3.148 1.00 0.00 SBOX C ATOM 278 H8 GUA A 16 -15.567 1.078 14.164 1.00 0.00 SBOX ATOM 279 N7 GUA A 16 -0.258 -0.617 -2.655 1.00 0.00 SBOX N ATOM 280 C5 GUA A 16 3.531 0.391 -1.240 1.00 0.00 SBOX C ATOM 281 C6 GUA A 16 -3.620 -0.765 0.472 1.00 0.00 SBOX C ATOM 282 O6 GUA A 16 -0.813 2.537 -4.379 1.00 0.00 SBOX O ATOM 283 N1 GUA A 16 -3.960 -2.327 0.572 1.00 0.00 SBOX N ATOM 284 H1 GUA A 16 -5.454 -13.289 -11.958 1.00 0.00 SBOX ATOM 285 C2 GUA A 16 -7.437 1.088 -4.892 1.00 0.00 SBOX C ATOM 286 N2 GUA A 16 5.869 -2.979 3.582 1.00 0.00 SBOX N ATOM 287 H21 GUA A 16 -7.671 -8.487 3.766 1.00 0.00 SBOX ATOM 288 H22 GUA A 16 8.902 3.536 -18.538 1.00 0.00 SBOX ATOM 289 N3 GUA A 16 -2.334 -0.680 -0.045 1.00 0.00 SBOX N ATOM 290 C4 GUA A 16 -3.400 0.908 -1.629 1.00 0.00 SBOX C ATOM 291 C3' GUA A 16 -0.152 -1.442 -0.861 1.00 0.00 SBOX C ATOM 292 H3' GUA A 16 4.405 -9.227 24.562 1.00 0.00 SBOX ATOM 293 C2' GUA A 16 -9.885 -1.389 3.744 1.00 0.00 SBOX C ATOM 294 H2'' GUA A 16 -10.925 6.480 27.289 1.00 0.00 SBOX ATOM 295 O2' GUA A 16 5.860 4.029 3.373 1.00 0.00 SBOX O ATOM 296 H2' GUA A 16 3.065 -15.129 1.498 1.00 0.00 SBOX ATOM 297 O3' GUA A 16 0.307 -5.791 6.240 1.00 0.00 SBOX O ATOM 298 P URA A 17 2.497 0.823 1.037 1.00 0.00 SBOX P ATOM 299 O1P URA A 17 -4.054 -0.498 1.659 1.00 0.00 SBOX ATOM 300 O2P URA A 17 3.351 10.569 -1.393 1.00 0.00 SBOX ATOM 301 O5' URA A 17 -1.861 0.194 -0.274 1.00 0.00 SBOX O ATOM 302 C5' URA A 17 -4.089 1.879 3.909 1.00 0.00 SBOX C ATOM 303 H5' URA A 17 1.327 13.538 -6.199 1.00 0.00 SBOX ATOM 304 H5'' URA A 17 -9.771 -15.808 -14.000 1.00 0.00 SBOX ATOM 305 C4' URA A 17 -0.676 1.863 -7.504 1.00 0.00 SBOX C ATOM 306 H4' URA A 17 -13.957 11.189 -2.556 1.00 0.00 SBOX ATOM 307 O4' URA A 17 2.496 7.192 -0.532 1.00 0.00 SBOX O ATOM 308 C1' URA A 17 -5.039 -5.247 8.939 1.00 0.00 SBOX C ATOM 309 H1' URA A 17 -1.370 48.856 4.676 1.00 0.00 SBOX ATOM 310 N1 URA A 17 -6.192 -1.301 -4.288 1.00 0.00 SBOX N ATOM 311 C6 URA A 17 3.867 0.286 -3.125 1.00 0.00 SBOX C ATOM 312 H6 URA A 17 -22.422 4.878 12.127 1.00 0.00 SBOX ATOM 313 C5 URA A 17 0.280 6.213 -3.207 1.00 0.00 SBOX C ATOM 314 H5 URA A 17 38.839 -15.135 -27.842 1.00 0.00 SBOX ATOM 315 C4 URA A 17 -6.808 2.164 -0.531 1.00 0.00 SBOX C ATOM 316 O4 URA A 17 5.310 1.832 1.071 1.00 0.00 SBOX O ATOM 317 N3 URA A 17 -4.048 -5.098 -0.178 1.00 0.00 SBOX N ATOM 318 H3 URA A 17 -24.861 8.832 19.588 1.00 0.00 SBOX ATOM 319 C2 URA A 17 1.697 -4.255 -0.151 1.00 0.00 SBOX C ATOM 320 O2 URA A 17 2.989 5.632 -1.067 1.00 0.00 SBOX O ATOM 321 C3' URA A 17 4.638 13.138 -0.069 1.00 0.00 SBOX C ATOM 322 H3' URA A 17 26.541 -7.261 -8.320 1.00 0.00 SBOX ATOM 323 C2' URA A 17 1.691 -5.809 0.995 1.00 0.00 SBOX C ATOM 324 H2'' URA A 17 -10.126 -7.182 -9.661 1.00 0.00 SBOX ATOM 325 O2' URA A 17 2.898 1.049 -3.118 1.00 0.00 SBOX O ATOM 326 H2' URA A 17 -20.458 -13.465 -8.044 1.00 0.00 SBOX ATOM 327 O3' URA A 17 -3.064 2.701 -4.690 1.00 0.00 SBOX O ATOM 328 P GUA A 18 2.078 0.695 -1.368 1.00 0.00 SBOX P ATOM 329 O1P GUA A 18 1.445 -1.592 -3.241 1.00 0.00 SBOX ATOM 330 O2P GUA A 18 -1.623 1.628 -3.784 1.00 0.00 SBOX ATOM 331 O5' GUA A 18 2.000 5.832 7.514 1.00 0.00 SBOX O ATOM 332 C5' GUA A 18 -2.959 -13.635 2.177 1.00 0.00 SBOX C ATOM 333 H5' GUA A 18 24.593 6.306 -3.364 1.00 0.00 SBOX ATOM 334 H5'' GUA A 18 -11.820 5.511 -7.645 1.00 0.00 SBOX ATOM 335 C4' GUA A 18 -6.505 -8.160 -3.328 1.00 0.00 SBOX C ATOM 336 H4' GUA A 18 10.686 8.491 -17.830 1.00 0.00 SBOX ATOM 337 O4' GUA A 18 13.185 -5.216 -0.462 1.00 0.00 SBOX O ATOM 338 C1' GUA A 18 2.995 4.773 -9.912 1.00 0.00 SBOX C ATOM 339 H1' GUA A 18 -11.185 12.133 -9.981 1.00 0.00 SBOX ATOM 340 N9 GUA A 18 -7.630 3.530 -6.850 1.00 0.00 SBOX N ATOM 341 C8 GUA A 18 3.791 -0.376 0.932 1.00 0.00 SBOX C ATOM 342 H8 GUA A 18 22.088 -7.714 40.762 1.00 0.00 SBOX ATOM 343 N7 GUA A 18 -6.241 7.173 8.112 1.00 0.00 SBOX N ATOM 344 C5 GUA A 18 4.618 -0.701 -0.141 1.00 0.00 SBOX C ATOM 345 C6 GUA A 18 -6.369 -1.451 -2.541 1.00 0.00 SBOX C ATOM 346 O6 GUA A 18 -1.312 2.704 5.960 1.00 0.00 SBOX O ATOM 347 N1 GUA A 18 -2.499 1.431 3.634 1.00 0.00 SBOX N ATOM 348 H1 GUA A 18 1.814 0.340 -14.196 1.00 0.00 SBOX ATOM 349 C2 GUA A 18 -4.009 -0.514 0.233 1.00 0.00 SBOX C ATOM 350 N2 GUA A 18 -1.792 -7.611 -0.544 1.00 0.00 SBOX N ATOM 351 H21 GUA A 18 2.263 4.820 -21.190 1.00 0.00 SBOX ATOM 352 H22 GUA A 18 6.377 -6.666 -7.451 1.00 0.00 SBOX ATOM 353 N3 GUA A 18 -8.806 -5.579 4.634 1.00 0.00 SBOX N ATOM 354 C4 GUA A 18 -1.900 -3.932 -1.219 1.00 0.00 SBOX C ATOM 355 C3' GUA A 18 8.666 3.708 -2.415 1.00 0.00 SBOX C ATOM 356 H3' GUA A 18 15.427 -7.729 -10.930 1.00 0.00 SBOX ATOM 357 C2' GUA A 18 -2.836 -2.908 7.972 1.00 0.00 SBOX C ATOM 358 H2'' GUA A 18 7.544 -3.658 5.131 1.00 0.00 SBOX ATOM 359 O2' GUA A 18 -0.715 0.329 -4.996 1.00 0.00 SBOX O ATOM 360 H2' GUA A 18 3.578 -4.278 9.709 1.00 0.00 SBOX ATOM 361 O3' GUA A 18 -7.205 0.406 0.398 1.00 0.00 SBOX O ATOM 362 P GUA A 19 0.940 -0.427 -3.618 1.00 0.00 SBOX P ATOM 363 O1P GUA A 19 -6.086 -3.653 3.717 1.00 0.00 SBOX ATOM 364 O2P GUA A 19 -3.114 -2.886 -5.530 1.00 0.00 SBOX ATOM 365 O5' GUA A 19 -5.636 4.588 5.019 1.00 0.00 SBOX O ATOM 366 C5' GUA A 19 -2.518 2.270 2.257 1.00 0.00 SBOX C ATOM 367 H5' GUA A 19 1.978 30.516 -2.018 1.00 0.00 SBOX ATOM 368 H5'' GUA A 19 14.752 26.006 -2.788 1.00 0.00 SBOX ATOM 369 C4' GUA A 19 -2.202 -6.051 -1.760 1.00 0.00 SBOX C ATOM 370 H4' GUA A 19 -5.513 2.803 2.354 1.00 0.00 SBOX ATOM 371 O4' GUA A 19 -3.458 -3.088 0.028 1.00 0.00 SBOX O ATOM 372 C1' GUA A 19 -4.404 1.946 2.626 1.00 0.00 SBOX C ATOM 373 H1' GUA A 19 -15.336 10.854 0.387 1.00 0.00 SBOX ATOM 374 N9 GUA A 19 8.397 -2.243 -6.824 1.00 0.00 SBOX N ATOM 375 C8 GUA A 19 -1.025 -2.037 1.165 1.00 0.00 SBOX C ATOM 376 H8 GUA A 19 1.168 16.532 41.740 1.00 0.00 SBOX ATOM 377 N7 GUA A 19 0.538 -1.140 5.438 1.00 0.00 SBOX N ATOM 378 C5 GUA A 19 -1.201 5.613 11.750 1.00 0.00 SBOX C ATOM 379 C6 GUA A 19 5.944 -1.716 -3.178 1.00 0.00 SBOX C ATOM 380 O6 GUA A 19 2.152 2.752 1.429 1.00 0.00 SBOX O ATOM 381 N1 GUA A 19 4.206 -5.535 -8.276 1.00 0.00 SBOX N ATOM 382 H1 GUA A 19 5.437 13.231 4.959 1.00 0.00 SBOX ATOM 383 C2 GUA A 19 -4.123 10.483 4.102 1.00 0.00 SBOX C ATOM 384 N2 GUA A 19 5.898 2.123 0.895 1.00 0.00 SBOX N ATOM 385 H21 GUA A 19 6.809 39.924 0.636 1.00 0.00 SBOX ATOM 386 H22 GUA A 19 20.617 2.469 -9.759 1.00 0.00 SBOX ATOM 387 N3 GUA A 19 2.585 3.301 -14.712 1.00 0.00 SBOX N ATOM 388 C4 GUA A 19 -5.250 0.906 -3.979 1.00 0.00 SBOX C ATOM 389 C3' GUA A 19 -3.432 -0.270 4.846 1.00 0.00 SBOX C ATOM 390 H3' GUA A 19 -2.407 -2.742 3.236 1.00 0.00 SBOX ATOM 391 C2' GUA A 19 -1.001 5.650 -9.117 1.00 0.00 SBOX C ATOM 392 H2'' GUA A 19 -25.994 6.770 6.433 1.00 0.00 SBOX ATOM 393 O2' GUA A 19 -3.891 1.834 2.569 1.00 0.00 SBOX O ATOM 394 H2' GUA A 19 -3.026 13.343 -20.476 1.00 0.00 SBOX ATOM 395 O3' GUA A 19 -0.777 4.101 0.593 1.00 0.00 SBOX O ATOM 396 P ADE A 20 3.125 2.234 2.257 1.00 0.00 SBOX P ATOM 397 O1P ADE A 20 -0.528 3.186 -2.057 1.00 0.00 SBOX ATOM 398 O2P ADE A 20 -1.459 -10.774 -3.454 1.00 0.00 SBOX ATOM 399 O5' ADE A 20 -1.617 2.434 3.446 1.00 0.00 SBOX O ATOM 400 C5' ADE A 20 0.847 1.132 -13.528 1.00 0.00 SBOX C ATOM 401 H5' ADE A 20 -2.475 -12.550 -5.997 1.00 0.00 SBOX ATOM 402 H5'' ADE A 20 7.528 6.541 0.233 1.00 0.00 SBOX ATOM 403 C4' ADE A 20 -3.502 -0.209 4.273 1.00 0.00 SBOX C ATOM 404 H4' ADE A 20 12.511 21.541 12.860 1.00 0.00 SBOX ATOM 405 O4' ADE A 20 -0.101 0.386 0.976 1.00 0.00 SBOX O ATOM 406 C1' ADE A 20 9.309 -0.012 1.857 1.00 0.00 SBOX C ATOM 407 H1' ADE A 20 4.223 24.747 15.744 1.00 0.00 SBOX ATOM 408 N9 ADE A 20 1.260 5.707 -0.497 1.00 0.00 SBOX N ATOM 409 C8 ADE A 20 -2.976 -3.445 -0.894 1.00 0.00 SBOX C ATOM 410 H8 ADE A 20 -0.449 -5.939 4.237 1.00 0.00 SBOX ATOM 411 N7 ADE A 20 -5.531 -0.038 5.601 1.00 0.00 SBOX N ATOM 412 C5 ADE A 20 -0.209 1.122 5.189 1.00 0.00 SBOX C ATOM 413 C6 ADE A 20 1.047 2.484 2.177 1.00 0.00 SBOX C ATOM 414 N6 ADE A 20 -2.745 -0.262 -3.629 1.00 0.00 SBOX N ATOM 415 H61 ADE A 20 1.651 -11.289 0.432 1.00 0.00 SBOX ATOM 416 H62 ADE A 20 3.327 -1.880 9.323 1.00 0.00 SBOX ATOM 417 N1 ADE A 20 0.741 -5.337 -1.751 1.00 0.00 SBOX N ATOM 418 C2 ADE A 20 2.233 0.959 -3.662 1.00 0.00 SBOX C ATOM 419 H2 ADE A 20 2.667 -6.587 -18.691 1.00 0.00 SBOX ATOM 420 N3 ADE A 20 4.448 -0.466 0.585 1.00 0.00 SBOX N ATOM 421 C4 ADE A 20 -6.586 -2.672 -2.367 1.00 0.00 SBOX C ATOM 422 C3' ADE A 20 0.063 -4.995 -0.387 1.00 0.00 SBOX C ATOM 423 H3' ADE A 20 -6.137 13.078 7.927 1.00 0.00 SBOX ATOM 424 C2' ADE A 20 -0.907 -0.402 -3.531 1.00 0.00 SBOX C ATOM 425 H2'' ADE A 20 -12.206 4.254 0.928 1.00 0.00 SBOX ATOM 426 O2' ADE A 20 -1.822 -5.426 -3.790 1.00 0.00 SBOX O ATOM 427 H2' ADE A 20 7.208 -3.476 -7.404 1.00 0.00 SBOX ATOM 428 O3' ADE A 20 -1.355 -3.484 -1.457 1.00 0.00 SBOX O ATOM 429 P GUA A 21 2.782 -4.670 4.574 1.00 0.00 SBOX P ATOM 430 O1P GUA A 21 -0.436 2.705 -0.474 1.00 0.00 SBOX ATOM 431 O2P GUA A 21 -2.596 2.812 -1.122 1.00 0.00 SBOX ATOM 432 O5' GUA A 21 -7.307 2.758 -3.460 1.00 0.00 SBOX O ATOM 433 C5' GUA A 21 9.149 -8.281 -2.175 1.00 0.00 SBOX C ATOM 434 H5' GUA A 21 -7.851 -9.533 11.103 1.00 0.00 SBOX ATOM 435 H5'' GUA A 21 12.557 -11.917 4.695 1.00 0.00 SBOX ATOM 436 C4' GUA A 21 -1.108 -4.720 0.330 1.00 0.00 SBOX C ATOM 437 H4' GUA A 21 -13.599 -8.495 10.637 1.00 0.00 SBOX ATOM 438 O4' GUA A 21 0.155 0.372 -1.668 1.00 0.00 SBOX O ATOM 439 C1' GUA A 21 -1.387 2.287 4.872 1.00 0.00 SBOX C ATOM 440 H1' GUA A 21 8.535 12.682 -4.952 1.00 0.00 SBOX ATOM 441 N9 GUA A 21 0.494 -6.243 -4.165 1.00 0.00 SBOX N ATOM 442 C8 GUA A 21 2.309 3.972 1.739 1.00 0.00 SBOX C ATOM 443 H8 GUA A 21 0.702 15.957 15.206 1.00 0.00 SBOX ATOM 444 N7 GUA A 21 -3.528 -6.317 3.817 1.00 0.00 SBOX N ATOM 445 C5 GUA A 21 7.401 -3.046 -2.698 1.00 0.00 SBOX C ATOM 446 C6 GUA A 21 -5.057 -2.650 -4.726 1.00 0.00 SBOX C ATOM 447 O6 GUA A 21 1.938 0.541 -1.909 1.00 0.00 SBOX O ATOM 448 N1 GUA A 21 -6.546 5.765 -3.331 1.00 0.00 SBOX N ATOM 449 H1 GUA A 21 3.474 -8.378 -14.379 1.00 0.00 SBOX ATOM 450 C2 GUA A 21 -2.632 7.032 -4.893 1.00 0.00 SBOX C ATOM 451 N2 GUA A 21 -1.756 1.696 3.613 1.00 0.00 SBOX N ATOM 452 H21 GUA A 21 0.936 1.809 -11.655 1.00 0.00 SBOX ATOM 453 H22 GUA A 21 22.115 -9.988 11.200 1.00 0.00 SBOX ATOM 454 N3 GUA A 21 2.696 -5.284 -1.933 1.00 0.00 SBOX N ATOM 455 C4 GUA A 21 0.993 4.513 9.466 1.00 0.00 SBOX C ATOM 456 C3' GUA A 21 7.315 -0.087 -5.852 1.00 0.00 SBOX C ATOM 457 H3' GUA A 21 -14.152 -6.179 0.690 1.00 0.00 SBOX ATOM 458 C2' GUA A 21 12.112 -9.252 4.841 1.00 0.00 SBOX C ATOM 459 H2'' GUA A 21 -8.226 4.167 -6.086 1.00 0.00 SBOX ATOM 460 O2' GUA A 21 -1.356 0.638 2.444 1.00 0.00 SBOX O ATOM 461 H2' GUA A 21 14.139 22.140 -13.692 1.00 0.00 SBOX ATOM 462 O3' GUA A 21 -2.237 2.600 -2.683 1.00 0.00 SBOX O ATOM 463 P GUA A 22 1.605 -5.577 -1.045 1.00 0.00 SBOX P ATOM 464 O1P GUA A 22 3.945 -1.628 0.487 1.00 0.00 SBOX ATOM 465 O2P GUA A 22 -3.812 1.579 -1.012 1.00 0.00 SBOX ATOM 466 O5' GUA A 22 -1.311 -7.312 -0.783 1.00 0.00 SBOX O ATOM 467 C5' GUA A 22 -5.395 3.850 1.926 1.00 0.00 SBOX C ATOM 468 H5' GUA A 22 -12.809 6.393 10.402 1.00 0.00 SBOX ATOM 469 H5'' GUA A 22 21.491 3.421 -6.754 1.00 0.00 SBOX ATOM 470 C4' GUA A 22 1.754 6.183 -2.414 1.00 0.00 SBOX C ATOM 471 H4' GUA A 22 -2.379 12.953 -12.942 1.00 0.00 SBOX ATOM 472 O4' GUA A 22 3.773 6.171 4.767 1.00 0.00 SBOX O ATOM 473 C1' GUA A 22 -2.465 5.226 1.271 1.00 0.00 SBOX C ATOM 474 H1' GUA A 22 -0.784 -3.728 -11.498 1.00 0.00 SBOX ATOM 475 N9 GUA A 22 -1.348 1.308 4.619 1.00 0.00 SBOX N ATOM 476 C8 GUA A 22 5.671 0.268 2.379 1.00 0.00 SBOX C ATOM 477 H8 GUA A 22 -2.167 2.523 16.453 1.00 0.00 SBOX ATOM 478 N7 GUA A 22 0.404 -1.748 -3.821 1.00 0.00 SBOX N ATOM 479 C5 GUA A 22 -0.396 -2.608 -9.390 1.00 0.00 SBOX C ATOM 480 C6 GUA A 22 -7.307 12.292 0.442 1.00 0.00 SBOX C ATOM 481 O6 GUA A 22 7.311 -1.626 3.500 1.00 0.00 SBOX O ATOM 482 N1 GUA A 22 0.676 -3.071 4.993 1.00 0.00 SBOX N ATOM 483 H1 GUA A 22 15.271 -4.252 -6.184 1.00 0.00 SBOX ATOM 484 C2 GUA A 22 -4.751 -7.830 -1.177 1.00 0.00 SBOX C ATOM 485 N2 GUA A 22 -1.216 1.446 3.995 1.00 0.00 SBOX N ATOM 486 H21 GUA A 22 6.870 4.839 -17.644 1.00 0.00 SBOX ATOM 487 H22 GUA A 22 21.992 -13.556 35.730 1.00 0.00 SBOX ATOM 488 N3 GUA A 22 -2.177 1.676 3.089 1.00 0.00 SBOX N ATOM 489 C4 GUA A 22 0.380 -8.824 1.900 1.00 0.00 SBOX C ATOM 490 C3' GUA A 22 6.106 -2.480 -6.289 1.00 0.00 SBOX C ATOM 491 H3' GUA A 22 1.041 -11.258 2.566 1.00 0.00 SBOX ATOM 492 C2' GUA A 22 -12.996 0.930 0.111 1.00 0.00 SBOX C ATOM 493 H2'' GUA A 22 -22.315 3.684 15.839 1.00 0.00 SBOX ATOM 494 O2' GUA A 22 1.709 -4.498 1.393 1.00 0.00 SBOX O ATOM 495 H2' GUA A 22 0.814 2.635 -8.154 1.00 0.00 SBOX ATOM 496 O3' GUA A 22 -5.658 -3.467 2.983 1.00 0.00 SBOX O ATOM 497 P GUA A 23 -0.458 2.581 -2.757 1.00 0.00 SBOX P ATOM 498 O1P GUA A 23 1.346 7.656 0.896 1.00 0.00 SBOX ATOM 499 O2P GUA A 23 3.099 1.769 7.244 1.00 0.00 SBOX ATOM 500 O5' GUA A 23 2.423 1.112 -2.394 1.00 0.00 SBOX O ATOM 501 C5' GUA A 23 -1.792 -3.418 1.953 1.00 0.00 SBOX C ATOM 502 H5' GUA A 23 -7.613 -0.631 19.222 1.00 0.00 SBOX ATOM 503 H5'' GUA A 23 -6.270 2.746 3.687 1.00 0.00 SBOX ATOM 504 C4' GUA A 23 -3.444 -6.597 4.740 1.00 0.00 SBOX C ATOM 505 H4' GUA A 23 17.535 16.649 41.048 1.00 0.00 SBOX ATOM 506 O4' GUA A 23 -0.625 -0.126 9.521 1.00 0.00 SBOX O ATOM 507 C1' GUA A 23 3.025 3.051 0.042 1.00 0.00 SBOX C ATOM 508 H1' GUA A 23 -6.381 -6.881 16.846 1.00 0.00 SBOX ATOM 509 N9 GUA A 23 -2.093 -4.514 -2.505 1.00 0.00 SBOX N ATOM 510 C8 GUA A 23 -0.942 -2.376 0.275 1.00 0.00 SBOX C ATOM 511 H8 GUA A 23 -3.909 26.207 -29.430 1.00 0.00 SBOX ATOM 512 N7 GUA A 23 -0.230 0.156 3.497 1.00 0.00 SBOX N ATOM 513 C5 GUA A 23 0.009 -2.002 -3.280 1.00 0.00 SBOX C ATOM 514 C6 GUA A 23 0.672 4.568 -4.794 1.00 0.00 SBOX C ATOM 515 O6 GUA A 23 -2.880 6.290 -9.714 1.00 0.00 SBOX O ATOM 516 N1 GUA A 23 7.187 -6.224 5.879 1.00 0.00 SBOX N ATOM 517 H1 GUA A 23 0.883 -0.077 -3.423 1.00 0.00 SBOX ATOM 518 C2 GUA A 23 2.265 3.742 -2.894 1.00 0.00 SBOX C ATOM 519 N2 GUA A 23 -3.011 0.105 3.715 1.00 0.00 SBOX N ATOM 520 H21 GUA A 23 21.480 7.690 -5.891 1.00 0.00 SBOX ATOM 521 H22 GUA A 23 12.891 -14.934 36.403 1.00 0.00 SBOX ATOM 522 N3 GUA A 23 -4.377 -7.713 -1.970 1.00 0.00 SBOX N ATOM 523 C4 GUA A 23 -1.685 1.992 0.247 1.00 0.00 SBOX C ATOM 524 C3' GUA A 23 -0.211 3.782 1.808 1.00 0.00 SBOX C ATOM 525 H3' GUA A 23 -11.364 -26.230 14.845 1.00 0.00 SBOX ATOM 526 C2' GUA A 23 5.382 -2.416 -10.324 1.00 0.00 SBOX C ATOM 527 H2'' GUA A 23 -13.501 -9.826 -20.200 1.00 0.00 SBOX ATOM 528 O2' GUA A 23 -2.901 0.227 2.896 1.00 0.00 SBOX O ATOM 529 H2' GUA A 23 1.673 -5.401 1.601 1.00 0.00 SBOX ATOM 530 O3' GUA A 23 -2.005 -1.667 -6.705 1.00 0.00 SBOX O ATOM 531 P ADE A 24 -0.189 -3.049 -1.881 1.00 0.00 SBOX P ATOM 532 O1P ADE A 24 7.062 5.131 -3.671 1.00 0.00 SBOX ATOM 533 O2P ADE A 24 -2.581 2.145 -3.573 1.00 0.00 SBOX ATOM 534 O5' ADE A 24 2.634 -5.312 7.903 1.00 0.00 SBOX O ATOM 535 C5' ADE A 24 -4.145 -3.617 -2.900 1.00 0.00 SBOX C ATOM 536 H5' ADE A 24 -8.095 -13.829 13.155 1.00 0.00 SBOX ATOM 537 H5'' ADE A 24 18.041 14.665 12.349 1.00 0.00 SBOX ATOM 538 C4' ADE A 24 6.818 3.524 -6.303 1.00 0.00 SBOX C ATOM 539 H4' ADE A 24 -8.236 5.144 22.026 1.00 0.00 SBOX ATOM 540 O4' ADE A 24 -5.563 -0.857 2.089 1.00 0.00 SBOX O ATOM 541 C1' ADE A 24 2.259 -1.030 1.705 1.00 0.00 SBOX C ATOM 542 H1' ADE A 24 -19.410 7.859 12.412 1.00 0.00 SBOX ATOM 543 N9 ADE A 24 -4.991 -4.809 -4.260 1.00 0.00 SBOX N ATOM 544 C8 ADE A 24 -1.585 -8.912 -1.788 1.00 0.00 SBOX C ATOM 545 H8 ADE A 24 -5.176 -9.208 0.398 1.00 0.00 SBOX ATOM 546 N7 ADE A 24 -0.189 2.182 -7.490 1.00 0.00 SBOX N ATOM 547 C5 ADE A 24 -1.893 -1.118 9.123 1.00 0.00 SBOX C ATOM 548 C6 ADE A 24 -1.651 -3.802 -1.667 1.00 0.00 SBOX C ATOM 549 N6 ADE A 24 2.101 -0.089 -3.062 1.00 0.00 SBOX N ATOM 550 H61 ADE A 24 20.582 4.321 -2.676 1.00 0.00 SBOX ATOM 551 H62 ADE A 24 2.437 -22.037 -12.654 1.00 0.00 SBOX ATOM 552 N1 ADE A 24 -3.220 -2.479 -0.599 1.00 0.00 SBOX N ATOM 553 C2 ADE A 24 1.763 0.451 1.454 1.00 0.00 SBOX C ATOM 554 H2 ADE A 24 -2.955 2.732 30.666 1.00 0.00 SBOX ATOM 555 N3 ADE A 24 -2.022 2.160 -5.976 1.00 0.00 SBOX N ATOM 556 C4 ADE A 24 7.482 -7.341 4.339 1.00 0.00 SBOX C ATOM 557 C3' ADE A 24 -5.402 -4.027 -1.821 1.00 0.00 SBOX C ATOM 558 H3' ADE A 24 -3.375 -17.407 10.681 1.00 0.00 SBOX ATOM 559 C2' ADE A 24 3.891 -2.875 7.193 1.00 0.00 SBOX C ATOM 560 H2'' ADE A 24 -22.632 -4.412 0.584 1.00 0.00 SBOX ATOM 561 O2' ADE A 24 -4.237 3.919 -2.326 1.00 0.00 SBOX O ATOM 562 H2' ADE A 24 -8.095 4.509 -4.444 1.00 0.00 SBOX ATOM 563 O3' ADE A 24 2.838 1.053 -4.333 1.00 0.00 SBOX O ATOM 564 P CYT A 25 -2.017 -1.705 0.253 1.00 0.00 SBOX P ATOM 565 O1P CYT A 25 3.343 0.491 3.568 1.00 0.00 SBOX ATOM 566 O2P CYT A 25 2.979 5.104 -6.214 1.00 0.00 SBOX ATOM 567 O5' CYT A 25 7.915 3.949 -0.551 1.00 0.00 SBOX O ATOM 568 C5' CYT A 25 -4.798 -3.646 0.553 1.00 0.00 SBOX C ATOM 569 H5' CYT A 25 -4.342 -7.570 3.593 1.00 0.00 SBOX ATOM 570 H5'' CYT A 25 -7.152 11.446 1.772 1.00 0.00 SBOX ATOM 571 C4' CYT A 25 -4.716 4.097 0.705 1.00 0.00 SBOX C ATOM 572 H4' CYT A 25 -4.820 29.701 -0.892 1.00 0.00 SBOX ATOM 573 O4' CYT A 25 -0.920 7.002 -1.926 1.00 0.00 SBOX O ATOM 574 C1' CYT A 25 6.774 -1.438 6.584 1.00 0.00 SBOX C ATOM 575 H1' CYT A 25 -22.427 -7.981 12.085 1.00 0.00 SBOX ATOM 576 N1 CYT A 25 0.646 5.055 4.943 1.00 0.00 SBOX N ATOM 577 C6 CYT A 25 1.767 2.302 -0.552 1.00 0.00 SBOX C ATOM 578 H6 CYT A 25 13.233 -10.484 -3.660 1.00 0.00 SBOX ATOM 579 C5 CYT A 25 2.661 2.460 6.467 1.00 0.00 SBOX C ATOM 580 H5 CYT A 25 20.043 5.340 -3.731 1.00 0.00 SBOX ATOM 581 C4 CYT A 25 -6.545 2.614 9.866 1.00 0.00 SBOX C ATOM 582 N4 CYT A 25 -0.194 3.715 1.396 1.00 0.00 SBOX N ATOM 583 H41 CYT A 25 8.475 5.851 8.133 1.00 0.00 SBOX ATOM 584 H42 CYT A 25 -9.294 -11.733 -1.763 1.00 0.00 SBOX ATOM 585 N3 CYT A 25 -3.637 5.199 -7.330 1.00 0.00 SBOX N ATOM 586 C2 CYT A 25 -7.210 7.712 1.320 1.00 0.00 SBOX C ATOM 587 O2 CYT A 25 8.944 -1.773 1.236 1.00 0.00 SBOX O ATOM 588 C3' CYT A 25 4.337 -3.811 -1.515 1.00 0.00 SBOX C ATOM 589 H3' CYT A 25 -0.981 -26.440 -3.439 1.00 0.00 SBOX ATOM 590 C2' CYT A 25 0.870 -4.249 5.022 1.00 0.00 SBOX C ATOM 591 H2'' CYT A 25 -20.674 3.561 13.586 1.00 0.00 SBOX ATOM 592 O2' CYT A 25 -5.346 -0.821 -0.149 1.00 0.00 SBOX O ATOM 593 H2' CYT A 25 -10.008 -7.286 -16.677 1.00 0.00 SBOX ATOM 594 O3' CYT A 25 -5.626 2.767 -8.260 1.00 0.00 SBOX O ATOM 595 P URA A 26 0.279 -1.077 0.562 1.00 0.00 SBOX P ATOM 596 O1P URA A 26 0.271 -5.914 3.914 1.00 0.00 SBOX ATOM 597 O2P URA A 26 0.805 3.450 2.549 1.00 0.00 SBOX ATOM 598 O5' URA A 26 3.376 1.219 0.244 1.00 0.00 SBOX O ATOM 599 C5' URA A 26 2.022 1.951 3.654 1.00 0.00 SBOX C ATOM 600 H5' URA A 26 24.833 11.776 -0.677 1.00 0.00 SBOX ATOM 601 H5'' URA A 26 -2.407 10.759 -8.798 1.00 0.00 SBOX ATOM 602 C4' URA A 26 -7.584 -5.765 -0.813 1.00 0.00 SBOX C ATOM 603 H4' URA A 26 7.850 5.742 6.242 1.00 0.00 SBOX ATOM 604 O4' URA A 26 4.276 -3.534 0.956 1.00 0.00 SBOX O ATOM 605 C1' URA A 26 -0.214 0.553 4.109 1.00 0.00 SBOX C ATOM 606 H1' URA A 26 9.749 -7.167 0.797 1.00 0.00 SBOX ATOM 607 N1 URA A 26 -7.939 -5.067 1.180 1.00 0.00 SBOX N ATOM 608 C6 URA A 26 3.375 2.681 0.569 1.00 0.00 SBOX C ATOM 609 H6 URA A 26 15.251 -17.431 -1.594 1.00 0.00 SBOX ATOM 610 C5 URA A 26 -3.691 -0.366 -1.472 1.00 0.00 SBOX C ATOM 611 H5 URA A 26 18.140 0.955 -30.691 1.00 0.00 SBOX ATOM 612 C4 URA A 26 3.649 -16.039 -0.135 1.00 0.00 SBOX C ATOM 613 O4 URA A 26 -0.465 0.827 5.321 1.00 0.00 SBOX O ATOM 614 N3 URA A 26 7.908 1.075 -8.607 1.00 0.00 SBOX N ATOM 615 H3 URA A 26 6.512 5.517 -22.245 1.00 0.00 SBOX ATOM 616 C2 URA A 26 -4.340 -1.886 -0.089 1.00 0.00 SBOX C ATOM 617 O2 URA A 26 -2.188 3.085 -1.227 1.00 0.00 SBOX O ATOM 618 C3' URA A 26 -2.267 -9.450 -4.948 1.00 0.00 SBOX C ATOM 619 H3' URA A 26 -16.303 -13.893 0.339 1.00 0.00 SBOX ATOM 620 C2' URA A 26 -3.298 8.226 -7.214 1.00 0.00 SBOX C ATOM 621 H2'' URA A 26 -5.767 -11.025 -7.444 1.00 0.00 SBOX ATOM 622 O2' URA A 26 -4.988 1.525 -2.200 1.00 0.00 SBOX O ATOM 623 H2' URA A 26 -13.849 14.751 1.057 1.00 0.00 SBOX ATOM 624 O3' URA A 26 1.899 1.245 -3.098 1.00 0.00 SBOX O ATOM 625 P GUA A 27 1.248 -3.177 1.807 1.00 0.00 SBOX P ATOM 626 O1P GUA A 27 0.743 -2.920 -3.533 1.00 0.00 SBOX ATOM 627 O2P GUA A 27 0.516 4.474 8.283 1.00 0.00 SBOX ATOM 628 O5' GUA A 27 -1.320 -2.726 4.555 1.00 0.00 SBOX O ATOM 629 C5' GUA A 27 3.023 -0.497 -6.040 1.00 0.00 SBOX C ATOM 630 H5' GUA A 27 -8.436 19.378 6.794 1.00 0.00 SBOX ATOM 631 H5'' GUA A 27 -7.172 2.184 -14.300 1.00 0.00 SBOX ATOM 632 C4' GUA A 27 -4.951 -2.748 4.826 1.00 0.00 SBOX C ATOM 633 H4' GUA A 27 12.254 -1.639 22.132 1.00 0.00 SBOX ATOM 634 O4' GUA A 27 5.671 -6.037 3.766 1.00 0.00 SBOX O ATOM 635 C1' GUA A 27 -3.650 3.281 4.187 1.00 0.00 SBOX C ATOM 636 H1' GUA A 27 -3.925 -16.209 -15.631 1.00 0.00 SBOX ATOM 637 N9 GUA A 27 -3.745 -1.230 -4.841 1.00 0.00 SBOX N ATOM 638 C8 GUA A 27 3.584 6.005 -2.198 1.00 0.00 SBOX C ATOM 639 H8 GUA A 27 -5.860 -15.178 -27.113 1.00 0.00 SBOX ATOM 640 N7 GUA A 27 0.621 4.936 -2.545 1.00 0.00 SBOX N ATOM 641 C5 GUA A 27 0.380 -4.540 -6.365 1.00 0.00 SBOX C ATOM 642 C6 GUA A 27 1.524 4.579 -7.724 1.00 0.00 SBOX C ATOM 643 O6 GUA A 27 3.854 3.984 4.446 1.00 0.00 SBOX O ATOM 644 N1 GUA A 27 8.272 -4.888 -3.035 1.00 0.00 SBOX N ATOM 645 H1 GUA A 27 6.036 -5.267 -11.376 1.00 0.00 SBOX ATOM 646 C2 GUA A 27 -0.034 1.585 4.310 1.00 0.00 SBOX C ATOM 647 N2 GUA A 27 -2.814 -1.554 -3.242 1.00 0.00 SBOX N ATOM 648 H21 GUA A 27 -4.185 -9.691 18.429 1.00 0.00 SBOX ATOM 649 H22 GUA A 27 7.873 -2.255 0.519 1.00 0.00 SBOX ATOM 650 N3 GUA A 27 -4.233 3.862 0.342 1.00 0.00 SBOX N ATOM 651 C4 GUA A 27 -5.795 -4.107 1.684 1.00 0.00 SBOX C ATOM 652 C3' GUA A 27 0.054 5.982 6.080 1.00 0.00 SBOX C ATOM 653 H3' GUA A 27 24.062 -0.090 -10.759 1.00 0.00 SBOX ATOM 654 C2' GUA A 27 3.982 -2.642 1.335 1.00 0.00 SBOX C ATOM 655 H2'' GUA A 27 10.493 7.214 7.233 1.00 0.00 SBOX ATOM 656 O2' GUA A 27 5.449 0.218 -7.233 1.00 0.00 SBOX O ATOM 657 H2' GUA A 27 -9.437 0.707 -20.854 1.00 0.00 SBOX ATOM 658 O3' GUA A 27 7.720 0.525 4.597 1.00 0.00 SBOX O ATOM 659 P GUA A 28 1.712 -4.883 -0.394 1.00 0.00 SBOX P ATOM 660 O1P GUA A 28 -5.945 -8.784 0.302 1.00 0.00 SBOX ATOM 661 O2P GUA A 28 -1.367 2.634 1.416 1.00 0.00 SBOX ATOM 662 O5' GUA A 28 -1.649 -4.260 7.723 1.00 0.00 SBOX O ATOM 663 C5' GUA A 28 -4.078 -2.592 -4.792 1.00 0.00 SBOX C ATOM 664 H5' GUA A 28 -10.893 -9.220 -5.515 1.00 0.00 SBOX ATOM 665 H5'' GUA A 28 -20.108 7.582 -15.154 1.00 0.00 SBOX ATOM 666 C4' GUA A 28 1.559 1.816 -6.709 1.00 0.00 SBOX C ATOM 667 H4' GUA A 28 16.046 -3.388 -8.473 1.00 0.00 SBOX ATOM 668 O4' GUA A 28 2.178 -1.099 -3.310 1.00 0.00 SBOX O ATOM 669 C1' GUA A 28 -7.272 -3.050 -1.438 1.00 0.00 SBOX C ATOM 670 H1' GUA A 28 -4.546 -6.313 -1.546 1.00 0.00 SBOX ATOM 671 N9 GUA A 28 2.430 -4.946 1.882 1.00 0.00 SBOX N ATOM 672 C8 GUA A 28 -5.721 -3.260 1.576 1.00 0.00 SBOX C ATOM 673 H8 GUA A 28 -6.950 -9.853 5.405 1.00 0.00 SBOX ATOM 674 N7 GUA A 28 5.782 6.772 0.627 1.00 0.00 SBOX N ATOM 675 C5 GUA A 28 5.180 5.838 -12.089 1.00 0.00 SBOX C ATOM 676 C6 GUA A 28 -7.273 0.005 4.664 1.00 0.00 SBOX C ATOM 677 O6 GUA A 28 7.002 4.448 -1.041 1.00 0.00 SBOX O ATOM 678 N1 GUA A 28 -3.264 -5.009 1.723 1.00 0.00 SBOX N ATOM 679 H1 GUA A 28 -36.957 -27.498 2.510 1.00 0.00 SBOX ATOM 680 C2 GUA A 28 0.585 -3.501 -5.628 1.00 0.00 SBOX C ATOM 681 N2 GUA A 28 -5.433 0.046 -5.576 1.00 0.00 SBOX N ATOM 682 H21 GUA A 28 -23.533 -10.908 11.648 1.00 0.00 SBOX ATOM 683 H22 GUA A 28 7.260 -15.647 4.520 1.00 0.00 SBOX ATOM 684 N3 GUA A 28 -7.852 2.448 5.881 1.00 0.00 SBOX N ATOM 685 C4 GUA A 28 -1.956 2.412 9.098 1.00 0.00 SBOX C ATOM 686 C3' GUA A 28 2.145 0.478 2.695 1.00 0.00 SBOX C ATOM 687 H3' GUA A 28 -18.018 10.913 2.049 1.00 0.00 SBOX ATOM 688 C2' GUA A 28 -0.481 -5.721 -1.488 1.00 0.00 SBOX C ATOM 689 H2'' GUA A 28 3.845 -1.638 6.501 1.00 0.00 SBOX ATOM 690 O2' GUA A 28 -0.333 -3.843 -3.534 1.00 0.00 SBOX O ATOM 691 H2' GUA A 28 8.223 3.722 -0.064 1.00 0.00 SBOX ATOM 692 O3' GUA A 28 3.493 -8.894 -2.053 1.00 0.00 SBOX O ATOM 693 P CYT A 29 -1.918 -1.445 -4.829 1.00 0.00 SBOX P ATOM 694 O1P CYT A 29 -1.859 -0.748 -0.515 1.00 0.00 SBOX ATOM 695 O2P CYT A 29 4.851 -3.767 -1.186 1.00 0.00 SBOX ATOM 696 O5' CYT A 29 1.438 -2.660 4.897 1.00 0.00 SBOX O ATOM 697 C5' CYT A 29 -0.159 -0.491 6.445 1.00 0.00 SBOX C ATOM 698 H5' CYT A 29 8.562 -3.194 4.733 1.00 0.00 SBOX ATOM 699 H5'' CYT A 29 -3.795 20.554 5.894 1.00 0.00 SBOX ATOM 700 C4' CYT A 29 7.185 2.669 -13.769 1.00 0.00 SBOX C ATOM 701 H4' CYT A 29 8.236 6.663 8.244 1.00 0.00 SBOX ATOM 702 O4' CYT A 29 -8.838 -2.735 9.797 1.00 0.00 SBOX O ATOM 703 C1' CYT A 29 -5.942 -1.641 -0.530 1.00 0.00 SBOX C ATOM 704 H1' CYT A 29 -2.921 -6.189 2.145 1.00 0.00 SBOX ATOM 705 N1 CYT A 29 -0.569 6.911 1.409 1.00 0.00 SBOX N ATOM 706 C6 CYT A 29 -5.890 -1.069 4.649 1.00 0.00 SBOX C ATOM 707 H6 CYT A 29 25.150 -2.685 1.541 1.00 0.00 SBOX ATOM 708 C5 CYT A 29 -0.585 -6.021 -3.966 1.00 0.00 SBOX C ATOM 709 H5 CYT A 29 4.251 -10.922 11.750 1.00 0.00 SBOX ATOM 710 C4 CYT A 29 -1.739 -8.534 -0.526 1.00 0.00 SBOX C ATOM 711 N4 CYT A 29 2.257 5.515 1.238 1.00 0.00 SBOX N ATOM 712 H41 CYT A 29 0.888 12.832 -9.074 1.00 0.00 SBOX ATOM 713 H42 CYT A 29 -13.476 -16.471 -13.578 1.00 0.00 SBOX ATOM 714 N3 CYT A 29 5.283 -3.770 3.058 1.00 0.00 SBOX N ATOM 715 C2 CYT A 29 -9.420 -0.976 -7.293 1.00 0.00 SBOX C ATOM 716 O2 CYT A 29 -1.514 -2.066 2.802 1.00 0.00 SBOX O ATOM 717 C3' CYT A 29 10.127 -6.079 -0.581 1.00 0.00 SBOX C ATOM 718 H3' CYT A 29 9.754 9.217 8.941 1.00 0.00 SBOX ATOM 719 C2' CYT A 29 0.253 -1.405 1.924 1.00 0.00 SBOX C ATOM 720 H2'' CYT A 29 -14.601 2.419 -7.509 1.00 0.00 SBOX ATOM 721 O2' CYT A 29 1.605 -2.875 -3.628 1.00 0.00 SBOX O ATOM 722 H2' CYT A 29 17.029 8.079 -4.520 1.00 0.00 SBOX ATOM 723 O3' CYT A 29 -0.142 -5.855 -0.720 1.00 0.00 SBOX O ATOM 724 P CYT A 30 -4.308 -4.734 2.457 1.00 0.00 SBOX P ATOM 725 O1P CYT A 30 -0.696 10.544 0.909 1.00 0.00 SBOX ATOM 726 O2P CYT A 30 0.070 -4.001 0.735 1.00 0.00 SBOX ATOM 727 O5' CYT A 30 -6.074 -1.789 4.588 1.00 0.00 SBOX O ATOM 728 C5' CYT A 30 -0.759 1.106 2.970 1.00 0.00 SBOX C ATOM 729 H5' CYT A 30 -5.526 -9.881 3.614 1.00 0.00 SBOX ATOM 730 H5'' CYT A 30 1.257 1.530 10.213 1.00 0.00 SBOX ATOM 731 C4' CYT A 30 2.697 5.565 2.450 1.00 0.00 SBOX C ATOM 732 H4' CYT A 30 -1.538 -4.752 -16.498 1.00 0.00 SBOX ATOM 733 O4' CYT A 30 -6.588 2.221 1.292 1.00 0.00 SBOX O ATOM 734 C1' CYT A 30 -6.223 5.755 4.037 1.00 0.00 SBOX C ATOM 735 H1' CYT A 30 -4.238 5.002 3.939 1.00 0.00 SBOX ATOM 736 N1 CYT A 30 9.698 -2.801 -6.981 1.00 0.00 SBOX N ATOM 737 C6 CYT A 30 -0.156 -4.311 -4.514 1.00 0.00 SBOX C ATOM 738 H6 CYT A 30 -3.778 9.764 -16.938 1.00 0.00 SBOX ATOM 739 C5 CYT A 30 -4.476 5.190 -5.038 1.00 0.00 SBOX C ATOM 740 H5 CYT A 30 2.689 7.282 -0.453 1.00 0.00 SBOX ATOM 741 C4 CYT A 30 -9.256 4.224 -0.775 1.00 0.00 SBOX C ATOM 742 N4 CYT A 30 4.240 0.465 4.451 1.00 0.00 SBOX N ATOM 743 H41 CYT A 30 25.917 -7.509 2.289 1.00 0.00 SBOX ATOM 744 H42 CYT A 30 7.738 17.507 -14.871 1.00 0.00 SBOX ATOM 745 N3 CYT A 30 -2.084 0.962 2.592 1.00 0.00 SBOX N ATOM 746 C2 CYT A 30 -5.930 5.536 1.885 1.00 0.00 SBOX C ATOM 747 O2 CYT A 30 -7.689 -1.417 -4.523 1.00 0.00 SBOX O ATOM 748 C3' CYT A 30 -5.797 3.987 5.373 1.00 0.00 SBOX C ATOM 749 H3' CYT A 30 -8.674 -10.936 -6.040 1.00 0.00 SBOX ATOM 750 C2' CYT A 30 2.743 7.595 1.583 1.00 0.00 SBOX C ATOM 751 H2'' CYT A 30 0.476 10.152 -18.554 1.00 0.00 SBOX ATOM 752 O2' CYT A 30 -4.363 1.588 4.551 1.00 0.00 SBOX O ATOM 753 H2' CYT A 30 -11.388 -4.415 15.109 1.00 0.00 SBOX ATOM 754 O3' CYT A 30 1.728 2.715 -7.993 1.00 0.00 SBOX O ATOM 755 P CYT A 31 4.739 7.693 -3.419 1.00 0.00 SBOX P ATOM 756 O1P CYT A 31 -2.084 1.940 1.240 1.00 0.00 SBOX ATOM 757 O2P CYT A 31 3.232 0.661 3.189 1.00 0.00 SBOX ATOM 758 O5' CYT A 31 3.658 -6.830 -1.138 1.00 0.00 SBOX O ATOM 759 C5' CYT A 31 -7.671 -1.700 3.357 1.00 0.00 SBOX C ATOM 760 H5' CYT A 31 2.422 -15.559 -3.543 1.00 0.00 SBOX ATOM 761 H5'' CYT A 31 0.308 -2.841 -6.920 1.00 0.00 SBOX ATOM 762 C4' CYT A 31 -5.307 -6.151 -0.633 1.00 0.00 SBOX C ATOM 763 H4' CYT A 31 9.634 -5.725 15.453 1.00 0.00 SBOX ATOM 764 O4' CYT A 31 -8.008 -4.230 -4.907 1.00 0.00 SBOX O ATOM 765 C1' CYT A 31 -4.287 -0.963 6.067 1.00 0.00 SBOX C ATOM 766 H1' CYT A 31 -6.362 -3.658 7.001 1.00 0.00 SBOX ATOM 767 N1 CYT A 31 -2.209 3.691 0.616 1.00 0.00 SBOX N ATOM 768 C6 CYT A 31 1.669 4.055 2.602 1.00 0.00 SBOX C ATOM 769 H6 CYT A 31 -6.428 21.793 -15.662 1.00 0.00 SBOX ATOM 770 C5 CYT A 31 -6.766 -5.594 3.101 1.00 0.00 SBOX C ATOM 771 H5 CYT A 31 -0.387 -5.862 3.621 1.00 0.00 SBOX ATOM 772 C4 CYT A 31 1.142 0.688 -0.942 1.00 0.00 SBOX C ATOM 773 N4 CYT A 31 -1.583 -11.341 -3.970 1.00 0.00 SBOX N ATOM 774 H41 CYT A 31 -3.206 -18.128 18.809 1.00 0.00 SBOX ATOM 775 H42 CYT A 31 0.906 15.432 -29.535 1.00 0.00 SBOX ATOM 776 N3 CYT A 31 -2.245 3.932 8.744 1.00 0.00 SBOX N ATOM 777 C2 CYT A 31 -2.977 3.196 -2.378 1.00 0.00 SBOX C ATOM 778 O2 CYT A 31 -2.112 0.463 -0.439 1.00 0.00 SBOX O ATOM 779 C3' CYT A 31 -5.811 6.186 1.129 1.00 0.00 SBOX C ATOM 780 H3' CYT A 31 -10.289 12.078 -6.457 1.00 0.00 SBOX ATOM 781 C2' CYT A 31 7.509 2.036 3.072 1.00 0.00 SBOX C ATOM 782 H2'' CYT A 31 2.160 -4.082 -15.781 1.00 0.00 SBOX ATOM 783 O2' CYT A 31 -1.414 0.524 -1.389 1.00 0.00 SBOX O ATOM 784 H2' CYT A 31 7.994 6.937 -18.581 1.00 0.00 SBOX ATOM 785 O3' CYT A 31 -1.919 4.275 2.611 1.00 0.00 SBOX O ATOM 786 P GUA A 32 0.177 -5.701 2.438 1.00 0.00 SBOX P ATOM 787 O1P GUA A 32 4.689 -0.926 4.663 1.00 0.00 SBOX ATOM 788 O2P GUA A 32 3.313 1.531 4.221 1.00 0.00 SBOX ATOM 789 O5' GUA A 32 -4.881 3.462 -3.241 1.00 0.00 SBOX O ATOM 790 C5' GUA A 32 -1.459 -2.920 -3.094 1.00 0.00 SBOX C ATOM 791 H5' GUA A 32 -13.527 -20.037 -11.206 1.00 0.00 SBOX ATOM 792 H5'' GUA A 32 -4.241 6.176 12.915 1.00 0.00 SBOX ATOM 793 C4' GUA A 32 -0.997 6.420 5.382 1.00 0.00 SBOX C ATOM 794 H4' GUA A 32 -15.305 14.501 -21.382 1.00 0.00 SBOX ATOM 795 O4' GUA A 32 -5.074 3.388 1.679 1.00 0.00 SBOX O ATOM 796 C1' GUA A 32 -5.198 -0.513 1.555 1.00 0.00 SBOX C ATOM 797 H1' GUA A 32 -14.379 -2.186 9.448 1.00 0.00 SBOX ATOM 798 N9 GUA A 32 -0.745 -3.168 -4.645 1.00 0.00 SBOX N ATOM 799 C8 GUA A 32 1.077 2.402 -3.898 1.00 0.00 SBOX C ATOM 800 H8 GUA A 32 4.659 8.666 12.376 1.00 0.00 SBOX ATOM 801 N7 GUA A 32 -2.583 -3.896 3.088 1.00 0.00 SBOX N ATOM 802 C5 GUA A 32 -6.269 -2.433 1.734 1.00 0.00 SBOX C ATOM 803 C6 GUA A 32 6.632 -3.514 -3.006 1.00 0.00 SBOX C ATOM 804 O6 GUA A 32 2.516 5.612 -2.850 1.00 0.00 SBOX O ATOM 805 N1 GUA A 32 -2.055 3.062 -4.665 1.00 0.00 SBOX N ATOM 806 H1 GUA A 32 -3.873 2.145 -9.439 1.00 0.00 SBOX ATOM 807 C2 GUA A 32 3.749 1.320 -3.162 1.00 0.00 SBOX C ATOM 808 N2 GUA A 32 0.953 2.916 7.437 1.00 0.00 SBOX N ATOM 809 H21 GUA A 32 -9.723 -12.729 -2.014 1.00 0.00 SBOX ATOM 810 H22 GUA A 32 2.022 10.956 -7.873 1.00 0.00 SBOX ATOM 811 N3 GUA A 32 -2.010 -6.606 -4.330 1.00 0.00 SBOX N ATOM 812 C4 GUA A 32 1.561 -4.806 3.116 1.00 0.00 SBOX C ATOM 813 C3' GUA A 32 3.920 -3.522 1.813 1.00 0.00 SBOX C ATOM 814 H3' GUA A 32 24.140 -6.244 10.830 1.00 0.00 SBOX ATOM 815 C2' GUA A 32 -2.523 2.350 -1.276 1.00 0.00 SBOX C ATOM 816 H2'' GUA A 32 -13.300 3.760 -14.494 1.00 0.00 SBOX ATOM 817 O2' GUA A 32 6.741 -1.975 13.297 1.00 0.00 SBOX O ATOM 818 H2' GUA A 32 9.794 16.817 -17.926 1.00 0.00 SBOX ATOM 819 O3' GUA A 32 -5.687 -4.728 -3.430 1.00 0.00 SBOX O ATOM 820 P ADE A 33 -2.872 -5.608 1.886 1.00 0.00 SBOX P ATOM 821 O1P ADE A 33 1.437 -5.919 4.973 1.00 0.00 SBOX ATOM 822 O2P ADE A 33 -4.708 0.779 -0.447 1.00 0.00 SBOX ATOM 823 O5' ADE A 33 -6.793 -1.466 -15.902 1.00 0.00 SBOX O ATOM 824 C5' ADE A 33 -2.818 -4.285 0.657 1.00 0.00 SBOX C ATOM 825 H5' ADE A 33 -1.636 -2.318 0.562 1.00 0.00 SBOX ATOM 826 H5'' ADE A 33 5.749 25.388 -3.271 1.00 0.00 SBOX ATOM 827 C4' ADE A 33 2.876 8.469 -0.725 1.00 0.00 SBOX C ATOM 828 H4' ADE A 33 4.578 17.708 -14.761 1.00 0.00 SBOX ATOM 829 O4' ADE A 33 -5.587 0.044 -8.993 1.00 0.00 SBOX O ATOM 830 C1' ADE A 33 -4.082 -9.014 2.448 1.00 0.00 SBOX C ATOM 831 H1' ADE A 33 1.300 -8.066 9.230 1.00 0.00 SBOX ATOM 832 N9 ADE A 33 1.656 -6.127 -1.631 1.00 0.00 SBOX N ATOM 833 C8 ADE A 33 2.298 -0.924 -4.084 1.00 0.00 SBOX C ATOM 834 H8 ADE A 33 24.121 -4.826 -14.483 1.00 0.00 SBOX ATOM 835 N7 ADE A 33 1.973 2.342 1.256 1.00 0.00 SBOX N ATOM 836 C5 ADE A 33 -2.551 -1.718 5.801 1.00 0.00 SBOX C ATOM 837 C6 ADE A 33 -3.384 -5.250 5.398 1.00 0.00 SBOX C ATOM 838 N6 ADE A 33 -2.841 9.997 -0.441 1.00 0.00 SBOX N ATOM 839 H61 ADE A 33 22.438 31.308 19.692 1.00 0.00 SBOX ATOM 840 H62 ADE A 33 -8.198 11.863 -34.459 1.00 0.00 SBOX ATOM 841 N1 ADE A 33 -4.300 -0.264 -0.928 1.00 0.00 SBOX N ATOM 842 C2 ADE A 33 2.955 2.969 1.203 1.00 0.00 SBOX C ATOM 843 H2 ADE A 33 -9.798 26.951 48.660 1.00 0.00 SBOX ATOM 844 N3 ADE A 33 2.431 1.236 -5.634 1.00 0.00 SBOX N ATOM 845 C4 ADE A 33 2.200 3.099 -10.866 1.00 0.00 SBOX C ATOM 846 C3' ADE A 33 -3.670 4.465 -6.386 1.00 0.00 SBOX C ATOM 847 H3' ADE A 33 -0.610 2.983 8.445 1.00 0.00 SBOX ATOM 848 C2' ADE A 33 0.179 -2.831 3.086 1.00 0.00 SBOX C ATOM 849 H2'' ADE A 33 1.193 -1.169 -4.430 1.00 0.00 SBOX ATOM 850 O2' ADE A 33 1.470 -7.308 8.357 1.00 0.00 SBOX O ATOM 851 H2' ADE A 33 5.762 -9.595 -10.698 1.00 0.00 SBOX ATOM 852 O3' ADE A 33 4.022 1.301 -5.610 1.00 0.00 SBOX O ATOM 853 P URA A 34 -3.923 4.428 -0.221 1.00 0.00 SBOX P ATOM 854 O1P URA A 34 -2.404 -2.468 -0.303 1.00 0.00 SBOX ATOM 855 O2P URA A 34 -1.941 6.291 -6.559 1.00 0.00 SBOX ATOM 856 O5' URA A 34 -5.742 -2.013 -2.511 1.00 0.00 SBOX O ATOM 857 C5' URA A 34 8.346 -1.400 0.490 1.00 0.00 SBOX C ATOM 858 H5' URA A 34 11.694 7.163 -0.184 1.00 0.00 SBOX ATOM 859 H5'' URA A 34 -4.763 1.002 -4.902 1.00 0.00 SBOX ATOM 860 C4' URA A 34 3.852 -10.670 -4.867 1.00 0.00 SBOX C ATOM 861 H4' URA A 34 6.552 -9.186 -14.745 1.00 0.00 SBOX ATOM 862 O4' URA A 34 -2.471 0.001 1.871 1.00 0.00 SBOX O ATOM 863 C1' URA A 34 0.410 2.510 -2.894 1.00 0.00 SBOX C ATOM 864 H1' URA A 34 -40.384 -21.778 3.654 1.00 0.00 SBOX ATOM 865 N1 URA A 34 -0.535 1.365 2.905 1.00 0.00 SBOX N ATOM 866 C6 URA A 34 -4.712 1.956 -3.062 1.00 0.00 SBOX C ATOM 867 H6 URA A 34 0.006 -10.403 -0.700 1.00 0.00 SBOX ATOM 868 C5 URA A 34 11.200 -5.390 -1.281 1.00 0.00 SBOX C ATOM 869 H5 URA A 34 11.852 -4.551 -0.782 1.00 0.00 SBOX ATOM 870 C4 URA A 34 0.235 -3.192 -3.030 1.00 0.00 SBOX C ATOM 871 O4 URA A 34 -5.535 4.288 5.117 1.00 0.00 SBOX O ATOM 872 N3 URA A 34 -0.194 -3.095 6.171 1.00 0.00 SBOX N ATOM 873 H3 URA A 34 -1.758 -0.100 -5.189 1.00 0.00 SBOX ATOM 874 C2 URA A 34 -0.274 8.299 -1.945 1.00 0.00 SBOX C ATOM 875 O2 URA A 34 1.084 4.058 -0.974 1.00 0.00 SBOX O ATOM 876 C3' URA A 34 -5.696 -3.037 2.578 1.00 0.00 SBOX C ATOM 877 H3' URA A 34 9.455 0.792 0.658 1.00 0.00 SBOX ATOM 878 C2' URA A 34 2.688 -5.654 -2.009 1.00 0.00 SBOX C ATOM 879 H2'' URA A 34 2.018 -8.684 -15.416 1.00 0.00 SBOX ATOM 880 O2' URA A 34 -3.584 -2.896 -8.129 1.00 0.00 SBOX O ATOM 881 H2' URA A 34 3.100 -21.205 -1.742 1.00 0.00 SBOX ATOM 882 O3' URA A 34 -2.793 3.131 1.298 1.00 0.00 SBOX O ATOM 883 P GUA A 35 3.116 -1.087 -0.621 1.00 0.00 SBOX P ATOM 884 O1P GUA A 35 1.637 -7.586 8.551 1.00 0.00 SBOX ATOM 885 O2P GUA A 35 0.358 6.167 5.181 1.00 0.00 SBOX ATOM 886 O5' GUA A 35 -1.316 -3.711 -0.253 1.00 0.00 SBOX O ATOM 887 C5' GUA A 35 -1.423 7.643 -2.520 1.00 0.00 SBOX C ATOM 888 H5' GUA A 35 20.177 -36.649 17.022 1.00 0.00 SBOX ATOM 889 H5'' GUA A 35 10.684 3.564 17.930 1.00 0.00 SBOX ATOM 890 C4' GUA A 35 -2.828 -2.780 -0.739 1.00 0.00 SBOX C ATOM 891 H4' GUA A 35 10.354 -8.508 2.730 1.00 0.00 SBOX ATOM 892 O4' GUA A 35 -1.872 5.103 3.147 1.00 0.00 SBOX O ATOM 893 C1' GUA A 35 -3.596 -8.359 5.210 1.00 0.00 SBOX C ATOM 894 H1' GUA A 35 -36.410 -19.531 -21.869 1.00 0.00 SBOX ATOM 895 N9 GUA A 35 -1.965 0.578 2.514 1.00 0.00 SBOX N ATOM 896 C8 GUA A 35 -2.599 -3.363 -5.657 1.00 0.00 SBOX C ATOM 897 H8 GUA A 35 -7.056 23.101 -8.738 1.00 0.00 SBOX ATOM 898 N7 GUA A 35 -6.146 1.727 -0.279 1.00 0.00 SBOX N ATOM 899 C5 GUA A 35 5.019 3.117 -12.109 1.00 0.00 SBOX C ATOM 900 C6 GUA A 35 7.241 1.325 5.570 1.00 0.00 SBOX C ATOM 901 O6 GUA A 35 0.673 0.292 1.881 1.00 0.00 SBOX O ATOM 902 N1 GUA A 35 -0.223 -2.317 6.950 1.00 0.00 SBOX N ATOM 903 H1 GUA A 35 1.802 -7.310 2.421 1.00 0.00 SBOX ATOM 904 C2 GUA A 35 -0.966 -4.470 -9.313 1.00 0.00 SBOX C ATOM 905 N2 GUA A 35 -4.134 -1.355 1.775 1.00 0.00 SBOX N ATOM 906 H21 GUA A 35 -28.984 31.312 -16.396 1.00 0.00 SBOX ATOM 907 H22 GUA A 35 -7.747 11.802 20.944 1.00 0.00 SBOX ATOM 908 N3 GUA A 35 4.426 -5.936 -0.233 1.00 0.00 SBOX N ATOM 909 C4 GUA A 35 8.443 1.862 -7.578 1.00 0.00 SBOX C ATOM 910 C3' GUA A 35 -2.483 0.155 0.854 1.00 0.00 SBOX C ATOM 911 H3' GUA A 35 7.173 2.066 -11.872 1.00 0.00 SBOX ATOM 912 C2' GUA A 35 0.457 5.413 -3.066 1.00 0.00 SBOX C ATOM 913 H2'' GUA A 35 8.019 -13.343 20.520 1.00 0.00 SBOX ATOM 914 O2' GUA A 35 -0.817 2.743 2.229 1.00 0.00 SBOX O ATOM 915 H2' GUA A 35 2.554 -20.979 -1.839 1.00 0.00 SBOX ATOM 916 O3' GUA A 35 -1.322 1.073 -0.568 1.00 0.00 SBOX O ATOM 917 P ADE A 36 2.538 0.851 2.819 1.00 0.00 SBOX P ATOM 918 O1P ADE A 36 8.925 6.439 1.975 1.00 0.00 SBOX ATOM 919 O2P ADE A 36 -2.578 3.105 -1.303 1.00 0.00 SBOX ATOM 920 O5' ADE A 36 -0.036 -1.129 -6.954 1.00 0.00 SBOX O ATOM 921 C5' ADE A 36 -2.514 3.326 -4.832 1.00 0.00 SBOX C ATOM 922 H5' ADE A 36 -2.493 12.939 -8.352 1.00 0.00 SBOX ATOM 923 H5'' ADE A 36 -8.885 24.250 -15.199 1.00 0.00 SBOX ATOM 924 C4' ADE A 36 -10.302 -2.126 -6.496 1.00 0.00 SBOX C ATOM 925 H4' ADE A 36 10.576 -15.067 -2.475 1.00 0.00 SBOX ATOM 926 O4' ADE A 36 -0.962 0.310 -3.066 1.00 0.00 SBOX O ATOM 927 C1' ADE A 36 5.303 4.672 -9.627 1.00 0.00 SBOX C ATOM 928 H1' ADE A 36 14.401 12.953 -13.216 1.00 0.00 SBOX ATOM 929 N9 ADE A 36 3.027 0.999 -5.777 1.00 0.00 SBOX N ATOM 930 C8 ADE A 36 -1.055 -5.324 -6.651 1.00 0.00 SBOX C ATOM 931 H8 ADE A 36 -11.147 -1.774 19.220 1.00 0.00 SBOX ATOM 932 N7 ADE A 36 -1.894 -2.981 -3.774 1.00 0.00 SBOX N ATOM 933 C5 ADE A 36 3.039 -5.491 -0.981 1.00 0.00 SBOX C ATOM 934 C6 ADE A 36 1.517 3.194 5.278 1.00 0.00 SBOX C ATOM 935 N6 ADE A 36 2.789 -4.111 -11.347 1.00 0.00 SBOX N ATOM 936 H61 ADE A 36 -4.303 -7.447 13.299 1.00 0.00 SBOX ATOM 937 H62 ADE A 36 -11.313 -8.229 -1.930 1.00 0.00 SBOX ATOM 938 N1 ADE A 36 4.944 0.901 2.095 1.00 0.00 SBOX N ATOM 939 C2 ADE A 36 -0.595 -1.072 5.329 1.00 0.00 SBOX C ATOM 940 H2 ADE A 36 -30.370 -13.654 27.879 1.00 0.00 SBOX ATOM 941 N3 ADE A 36 -1.787 2.084 -8.142 1.00 0.00 SBOX N ATOM 942 C4 ADE A 36 5.573 9.334 2.106 1.00 0.00 SBOX C ATOM 943 C3' ADE A 36 -0.794 -4.004 1.118 1.00 0.00 SBOX C ATOM 944 H3' ADE A 36 4.207 -5.016 30.222 1.00 0.00 SBOX ATOM 945 C2' ADE A 36 6.250 -10.025 0.713 1.00 0.00 SBOX C ATOM 946 H2'' ADE A 36 5.672 -27.780 13.096 1.00 0.00 SBOX ATOM 947 O2' ADE A 36 -1.015 -1.580 -0.827 1.00 0.00 SBOX O ATOM 948 H2' ADE A 36 -13.145 36.944 -12.955 1.00 0.00 SBOX ATOM 949 O3' ADE A 36 -7.380 2.336 1.413 1.00 0.00 SBOX O ATOM 950 P ADE A 37 3.488 2.083 1.047 1.00 0.00 SBOX P ATOM 951 O1P ADE A 37 -2.235 0.832 2.011 1.00 0.00 SBOX ATOM 952 O2P ADE A 37 3.410 7.903 9.210 1.00 0.00 SBOX ATOM 953 O5' ADE A 37 -1.923 -4.873 -1.835 1.00 0.00 SBOX O ATOM 954 C5' ADE A 37 -3.551 2.031 -0.199 1.00 0.00 SBOX C ATOM 955 H5' ADE A 37 0.587 22.954 -32.733 1.00 0.00 SBOX ATOM 956 H5'' ADE A 37 -10.253 5.460 -3.881 1.00 0.00 SBOX ATOM 957 C4' ADE A 37 1.062 -3.778 -1.553 1.00 0.00 SBOX C ATOM 958 H4' ADE A 37 14.173 -3.404 -9.072 1.00 0.00 SBOX ATOM 959 O4' ADE A 37 0.694 -2.503 -4.709 1.00 0.00 SBOX O ATOM 960 C1' ADE A 37 -3.054 6.428 8.238 1.00 0.00 SBOX C ATOM 961 H1' ADE A 37 -10.887 -15.393 14.235 1.00 0.00 SBOX ATOM 962 N9 ADE A 37 -6.420 3.739 -0.270 1.00 0.00 SBOX N ATOM 963 C8 ADE A 37 0.089 6.798 2.302 1.00 0.00 SBOX C ATOM 964 H8 ADE A 37 14.904 -11.983 -5.374 1.00 0.00 SBOX ATOM 965 N7 ADE A 37 0.924 -0.690 -3.424 1.00 0.00 SBOX N ATOM 966 C5 ADE A 37 -3.028 -3.192 0.208 1.00 0.00 SBOX C ATOM 967 C6 ADE A 37 -3.977 -2.415 -0.360 1.00 0.00 SBOX C ATOM 968 N6 ADE A 37 -1.862 -1.643 1.565 1.00 0.00 SBOX N ATOM 969 H61 ADE A 37 0.063 -1.610 12.395 1.00 0.00 SBOX ATOM 970 H62 ADE A 37 -12.592 -8.008 19.368 1.00 0.00 SBOX ATOM 971 N1 ADE A 37 -2.541 1.397 0.149 1.00 0.00 SBOX N ATOM 972 C2 ADE A 37 6.226 -1.061 2.522 1.00 0.00 SBOX C ATOM 973 H2 ADE A 37 10.115 -30.398 -1.600 1.00 0.00 SBOX ATOM 974 N3 ADE A 37 2.730 -8.011 -2.834 1.00 0.00 SBOX N ATOM 975 C4 ADE A 37 2.202 6.289 2.704 1.00 0.00 SBOX C ATOM 976 C3' ADE A 37 -3.582 4.952 1.543 1.00 0.00 SBOX C ATOM 977 H3' ADE A 37 -13.924 -6.890 -10.149 1.00 0.00 SBOX ATOM 978 C2' ADE A 37 -3.836 2.842 8.648 1.00 0.00 SBOX C ATOM 979 H2'' ADE A 37 -0.000 2.527 5.285 1.00 0.00 SBOX ATOM 980 O2' ADE A 37 2.989 1.943 -3.483 1.00 0.00 SBOX O ATOM 981 H2' ADE A 37 2.496 7.285 1.544 1.00 0.00 SBOX ATOM 982 O3' ADE A 37 -0.713 0.243 -0.119 1.00 0.00 SBOX O ATOM 983 P ADE A 38 0.345 4.467 -1.349 1.00 0.00 SBOX P ATOM 984 O1P ADE A 38 -1.154 -1.323 -4.166 1.00 0.00 SBOX ATOM 985 O2P ADE A 38 -1.851 5.426 -2.311 1.00 0.00 SBOX ATOM 986 O5' ADE A 38 1.336 7.068 -1.442 1.00 0.00 SBOX O ATOM 987 C5' ADE A 38 -6.032 -5.723 -2.164 1.00 0.00 SBOX C ATOM 988 H5' ADE A 38 2.430 -0.419 -0.010 1.00 0.00 SBOX ATOM 989 H5'' ADE A 38 -1.808 -18.822 -2.996 1.00 0.00 SBOX ATOM 990 C4' ADE A 38 -2.373 -4.950 -3.590 1.00 0.00 SBOX C ATOM 991 H4' ADE A 38 5.713 -10.608 -17.606 1.00 0.00 SBOX ATOM 992 O4' ADE A 38 -4.113 4.531 -8.245 1.00 0.00 SBOX O ATOM 993 C1' ADE A 38 -3.049 2.890 -2.360 1.00 0.00 SBOX C ATOM 994 H1' ADE A 38 -6.519 11.353 4.928 1.00 0.00 SBOX ATOM 995 N9 ADE A 38 4.181 1.259 -3.083 1.00 0.00 SBOX N ATOM 996 C8 ADE A 38 5.077 -2.401 -6.179 1.00 0.00 SBOX C ATOM 997 H8 ADE A 38 18.202 -6.176 -19.302 1.00 0.00 SBOX ATOM 998 N7 ADE A 38 4.014 -6.146 0.622 1.00 0.00 SBOX N ATOM 999 C5 ADE A 38 2.103 2.077 5.053 1.00 0.00 SBOX C ATOM 1000 C6 ADE A 38 3.870 -5.655 -4.730 1.00 0.00 SBOX C ATOM 1001 N6 ADE A 38 -3.953 1.494 -1.356 1.00 0.00 SBOX N ATOM 1002 H61 ADE A 38 -14.198 -7.161 -7.727 1.00 0.00 SBOX ATOM 1003 H62 ADE A 38 -11.420 3.332 -39.195 1.00 0.00 SBOX ATOM 1004 N1 ADE A 38 -6.040 -3.750 2.749 1.00 0.00 SBOX N ATOM 1005 C2 ADE A 38 7.141 -1.065 -3.462 1.00 0.00 SBOX C ATOM 1006 H2 ADE A 38 -16.034 8.548 -3.170 1.00 0.00 SBOX ATOM 1007 N3 ADE A 38 -0.029 -2.236 -7.624 1.00 0.00 SBOX N ATOM 1008 C4 ADE A 38 9.167 -0.181 -0.009 1.00 0.00 SBOX C ATOM 1009 C3' ADE A 38 1.429 2.823 -1.085 1.00 0.00 SBOX C ATOM 1010 H3' ADE A 38 4.520 8.700 -25.076 1.00 0.00 SBOX ATOM 1011 C2' ADE A 38 6.931 -6.427 5.535 1.00 0.00 SBOX C ATOM 1012 H2'' ADE A 38 -6.321 -22.376 37.767 1.00 0.00 SBOX ATOM 1013 O2' ADE A 38 -4.798 -0.343 -1.317 1.00 0.00 SBOX O ATOM 1014 H2' ADE A 38 -22.053 -0.109 0.018 1.00 0.00 SBOX ATOM 1015 O3' ADE A 38 -1.673 -3.460 3.892 1.00 0.00 SBOX O ATOM 1016 P CYT A 39 1.841 2.273 3.670 1.00 0.00 SBOX P ATOM 1017 O1P CYT A 39 1.189 -2.236 -5.404 1.00 0.00 SBOX ATOM 1018 O2P CYT A 39 -0.442 -5.324 -5.451 1.00 0.00 SBOX ATOM 1019 O5' CYT A 39 0.275 -2.900 0.132 1.00 0.00 SBOX O ATOM 1020 C5' CYT A 39 -6.012 6.291 2.346 1.00 0.00 SBOX C ATOM 1021 H5' CYT A 39 -15.019 -24.224 -8.017 1.00 0.00 SBOX ATOM 1022 H5'' CYT A 39 -14.777 0.795 3.230 1.00 0.00 SBOX ATOM 1023 C4' CYT A 39 3.864 -5.675 5.927 1.00 0.00 SBOX C ATOM 1024 H4' CYT A 39 -2.336 -4.632 35.764 1.00 0.00 SBOX ATOM 1025 O4' CYT A 39 2.130 2.245 8.001 1.00 0.00 SBOX O ATOM 1026 C1' CYT A 39 3.027 -4.265 3.861 1.00 0.00 SBOX C ATOM 1027 H1' CYT A 39 -5.415 -0.485 1.469 1.00 0.00 SBOX ATOM 1028 N1 CYT A 39 4.128 -2.381 0.686 1.00 0.00 SBOX N ATOM 1029 C6 CYT A 39 8.918 -4.787 3.327 1.00 0.00 SBOX C ATOM 1030 H6 CYT A 39 42.555 11.061 -2.843 1.00 0.00 SBOX ATOM 1031 C5 CYT A 39 -1.735 -3.268 9.075 1.00 0.00 SBOX C ATOM 1032 H5 CYT A 39 9.940 -4.898 -4.672 1.00 0.00 SBOX ATOM 1033 C4 CYT A 39 -8.004 -11.750 2.623 1.00 0.00 SBOX C ATOM 1034 N4 CYT A 39 0.477 2.132 -2.666 1.00 0.00 SBOX N ATOM 1035 H41 CYT A 39 14.564 16.115 6.001 1.00 0.00 SBOX ATOM 1036 H42 CYT A 39 9.497 -0.321 46.255 1.00 0.00 SBOX ATOM 1037 N3 CYT A 39 0.568 2.029 8.451 1.00 0.00 SBOX N ATOM 1038 C2 CYT A 39 -2.633 -2.615 -0.529 1.00 0.00 SBOX C ATOM 1039 O2 CYT A 39 -5.279 -2.414 -1.124 1.00 0.00 SBOX O ATOM 1040 C3' CYT A 39 2.815 -4.827 -3.793 1.00 0.00 SBOX C ATOM 1041 H3' CYT A 39 3.644 -2.086 13.947 1.00 0.00 SBOX ATOM 1042 C2' CYT A 39 -2.906 3.806 1.427 1.00 0.00 SBOX C ATOM 1043 H2'' CYT A 39 -2.475 -10.036 -0.072 1.00 0.00 SBOX ATOM 1044 O2' CYT A 39 1.191 0.526 -1.201 1.00 0.00 SBOX O ATOM 1045 H2' CYT A 39 11.472 10.420 5.837 1.00 0.00 SBOX ATOM 1046 O3' CYT A 39 5.726 -0.613 0.377 1.00 0.00 SBOX O ATOM 1047 P CYT A 40 -0.425 -0.627 -0.426 1.00 0.00 SBOX P ATOM 1048 O1P CYT A 40 9.019 -3.369 -2.679 1.00 0.00 SBOX ATOM 1049 O2P CYT A 40 1.293 -3.956 -0.625 1.00 0.00 SBOX ATOM 1050 O5' CYT A 40 -1.249 0.937 -5.370 1.00 0.00 SBOX O ATOM 1051 C5' CYT A 40 9.550 3.541 -3.275 1.00 0.00 SBOX C ATOM 1052 H5' CYT A 40 4.819 29.356 -10.454 1.00 0.00 SBOX ATOM 1053 H5'' CYT A 40 21.234 -20.668 5.780 1.00 0.00 SBOX ATOM 1054 C4' CYT A 40 0.327 8.022 11.337 1.00 0.00 SBOX C ATOM 1055 H4' CYT A 40 1.916 6.471 6.847 1.00 0.00 SBOX ATOM 1056 O4' CYT A 40 4.952 -6.988 -1.660 1.00 0.00 SBOX O ATOM 1057 C1' CYT A 40 4.593 -4.563 3.256 1.00 0.00 SBOX C ATOM 1058 H1' CYT A 40 8.155 -3.625 5.444 1.00 0.00 SBOX ATOM 1059 N1 CYT A 40 3.587 6.065 -0.304 1.00 0.00 SBOX N ATOM 1060 C6 CYT A 40 3.525 9.806 -0.044 1.00 0.00 SBOX C ATOM 1061 H6 CYT A 40 1.625 3.340 -0.304 1.00 0.00 SBOX ATOM 1062 C5 CYT A 40 4.369 -6.203 -4.793 1.00 0.00 SBOX C ATOM 1063 H5 CYT A 40 -13.001 -1.361 12.931 1.00 0.00 SBOX ATOM 1064 C4 CYT A 40 4.436 -1.853 -6.743 1.00 0.00 SBOX C ATOM 1065 N4 CYT A 40 4.389 0.478 -9.501 1.00 0.00 SBOX N ATOM 1066 H41 CYT A 40 -20.749 6.085 7.451 1.00 0.00 SBOX ATOM 1067 H42 CYT A 40 -4.766 5.329 -1.934 1.00 0.00 SBOX ATOM 1068 N3 CYT A 40 -3.148 -6.543 1.219 1.00 0.00 SBOX N ATOM 1069 C2 CYT A 40 -8.743 -1.646 -1.876 1.00 0.00 SBOX C ATOM 1070 O2 CYT A 40 0.995 -7.432 -6.863 1.00 0.00 SBOX O ATOM 1071 C3' CYT A 40 -0.610 1.715 -1.106 1.00 0.00 SBOX C ATOM 1072 H3' CYT A 40 -29.333 7.612 -6.998 1.00 0.00 SBOX ATOM 1073 C2' CYT A 40 -7.322 2.719 1.306 1.00 0.00 SBOX C ATOM 1074 H2'' CYT A 40 -2.319 -18.558 -36.879 1.00 0.00 SBOX ATOM 1075 O2' CYT A 40 0.665 -2.769 3.832 1.00 0.00 SBOX O ATOM 1076 H2' CYT A 40 -0.649 -14.455 -0.232 1.00 0.00 SBOX ATOM 1077 O3' CYT A 40 -0.249 -1.538 -1.802 1.00 0.00 SBOX O ATOM 1078 P CYT A 41 6.045 -0.559 1.497 1.00 0.00 SBOX P ATOM 1079 O1P CYT A 41 -3.385 -5.041 1.399 1.00 0.00 SBOX ATOM 1080 O2P CYT A 41 2.551 2.775 -0.151 1.00 0.00 SBOX ATOM 1081 O5' CYT A 41 -4.501 -1.250 -4.734 1.00 0.00 SBOX O ATOM 1082 C5' CYT A 41 -0.771 -0.618 -2.338 1.00 0.00 SBOX C ATOM 1083 H5' CYT A 41 4.386 -5.976 -4.316 1.00 0.00 SBOX ATOM 1084 H5'' CYT A 41 21.044 12.906 5.161 1.00 0.00 SBOX ATOM 1085 C4' CYT A 41 -4.147 1.833 0.741 1.00 0.00 SBOX C ATOM 1086 H4' CYT A 41 0.070 1.982 -7.095 1.00 0.00 SBOX ATOM 1087 O4' CYT A 41 3.198 -1.002 -0.137 1.00 0.00 SBOX O ATOM 1088 C1' CYT A 41 0.868 -6.240 4.965 1.00 0.00 SBOX C ATOM 1089 H1' CYT A 41 -0.217 28.918 10.306 1.00 0.00 SBOX ATOM 1090 N1 CYT A 41 -0.005 8.451 -2.014 1.00 0.00 SBOX N ATOM 1091 C6 CYT A 41 -0.208 -3.746 1.556 1.00 0.00 SBOX C ATOM 1092 H6 CYT A 41 -12.435 0.609 4.867 1.00 0.00 SBOX ATOM 1093 C5 CYT A 41 -2.755 0.114 -6.294 1.00 0.00 SBOX C ATOM 1094 H5 CYT A 41 4.074 2.304 -10.986 1.00 0.00 SBOX ATOM 1095 C4 CYT A 41 6.140 1.873 5.043 1.00 0.00 SBOX C ATOM 1096 N4 CYT A 41 -5.766 -2.398 4.324 1.00 0.00 SBOX N ATOM 1097 H41 CYT A 41 11.431 9.928 -9.911 1.00 0.00 SBOX ATOM 1098 H42 CYT A 41 -26.712 -26.767 9.337 1.00 0.00 SBOX ATOM 1099 N3 CYT A 41 5.840 3.957 -1.184 1.00 0.00 SBOX N ATOM 1100 C2 CYT A 41 -4.157 2.974 -4.962 1.00 0.00 SBOX C ATOM 1101 O2 CYT A 41 3.623 -1.559 -1.941 1.00 0.00 SBOX O ATOM 1102 C3' CYT A 41 6.321 -0.690 -6.042 1.00 0.00 SBOX C ATOM 1103 H3' CYT A 41 30.696 5.916 -16.065 1.00 0.00 SBOX ATOM 1104 C2' CYT A 41 2.959 2.075 8.848 1.00 0.00 SBOX C ATOM 1105 H2'' CYT A 41 0.202 5.684 -5.999 1.00 0.00 SBOX ATOM 1106 O2' CYT A 41 5.788 3.557 -0.295 1.00 0.00 SBOX O ATOM 1107 H2' CYT A 41 4.956 0.706 13.223 1.00 0.00 SBOX ATOM 1108 O3' CYT A 41 6.323 5.298 -1.912 1.00 0.00 SBOX O ATOM 1109 P GUA A 42 -3.005 1.542 2.445 1.00 0.00 SBOX P ATOM 1110 O1P GUA A 42 4.797 0.750 -2.180 1.00 0.00 SBOX ATOM 1111 O2P GUA A 42 -1.079 -5.871 9.773 1.00 0.00 SBOX ATOM 1112 O5' GUA A 42 -5.421 0.251 -0.570 1.00 0.00 SBOX O ATOM 1113 C5' GUA A 42 -4.618 -0.428 7.382 1.00 0.00 SBOX C ATOM 1114 H5' GUA A 42 -7.173 6.123 12.478 1.00 0.00 SBOX ATOM 1115 H5'' GUA A 42 -10.063 -12.027 4.878 1.00 0.00 SBOX ATOM 1116 C4' GUA A 42 6.867 1.286 2.489 1.00 0.00 SBOX C ATOM 1117 H4' GUA A 42 5.639 0.404 3.075 1.00 0.00 SBOX ATOM 1118 O4' GUA A 42 -1.406 -1.998 -5.511 1.00 0.00 SBOX O ATOM 1119 C1' GUA A 42 -1.261 5.474 -5.495 1.00 0.00 SBOX C ATOM 1120 H1' GUA A 42 -0.188 27.403 -14.553 1.00 0.00 SBOX ATOM 1121 N9 GUA A 42 4.053 0.291 -0.498 1.00 0.00 SBOX N ATOM 1122 C8 GUA A 42 0.562 1.866 -4.915 1.00 0.00 SBOX C ATOM 1123 H8 GUA A 42 -27.091 2.693 5.041 1.00 0.00 SBOX ATOM 1124 N7 GUA A 42 -3.780 -4.696 3.419 1.00 0.00 SBOX N ATOM 1125 C5 GUA A 42 6.425 -3.529 5.120 1.00 0.00 SBOX C ATOM 1126 C6 GUA A 42 1.626 -6.491 -0.658 1.00 0.00 SBOX C ATOM 1127 O6 GUA A 42 -4.067 -3.280 2.317 1.00 0.00 SBOX O ATOM 1128 N1 GUA A 42 1.925 1.787 2.574 1.00 0.00 SBOX N ATOM 1129 H1 GUA A 42 2.162 8.803 32.854 1.00 0.00 SBOX ATOM 1130 C2 GUA A 42 -2.839 -3.706 -7.268 1.00 0.00 SBOX C ATOM 1131 N2 GUA A 42 -4.629 1.865 4.262 1.00 0.00 SBOX N ATOM 1132 H21 GUA A 42 -30.218 -0.022 15.092 1.00 0.00 SBOX ATOM 1133 H22 GUA A 42 1.739 -4.521 -11.322 1.00 0.00 SBOX ATOM 1134 N3 GUA A 42 -9.128 5.234 -13.169 1.00 0.00 SBOX N ATOM 1135 C4 GUA A 42 8.344 0.059 -4.422 1.00 0.00 SBOX C ATOM 1136 C3' GUA A 42 -3.332 -5.991 3.675 1.00 0.00 SBOX C ATOM 1137 H3' GUA A 42 10.301 2.028 -3.291 1.00 0.00 SBOX ATOM 1138 C2' GUA A 42 0.304 4.160 6.966 1.00 0.00 SBOX C ATOM 1139 H2'' GUA A 42 -50.067 10.545 -1.081 1.00 0.00 SBOX ATOM 1140 O2' GUA A 42 4.589 1.721 -0.239 1.00 0.00 SBOX O ATOM 1141 H2' GUA A 42 -29.309 2.441 1.458 1.00 0.00 SBOX ATOM 1142 O3' GUA A 42 1.355 2.602 -6.496 1.00 0.00 SBOX O ATOM 1143 P GUA A 43 -3.413 1.682 1.406 1.00 0.00 SBOX P ATOM 1144 O1P GUA A 43 1.680 -7.429 -7.814 1.00 0.00 SBOX ATOM 1145 O2P GUA A 43 -1.212 1.990 -2.419 1.00 0.00 SBOX ATOM 1146 O5' GUA A 43 1.888 5.680 3.241 1.00 0.00 SBOX O ATOM 1147 C5' GUA A 43 -2.420 2.604 1.182 1.00 0.00 SBOX C ATOM 1148 H5' GUA A 43 1.298 18.553 8.783 1.00 0.00 SBOX ATOM 1149 H5'' GUA A 43 -8.380 -18.682 -11.675 1.00 0.00 SBOX ATOM 1150 C4' GUA A 43 5.279 -9.789 -4.531 1.00 0.00 SBOX C ATOM 1151 H4' GUA A 43 -7.151 1.955 -2.319 1.00 0.00 SBOX ATOM 1152 O4' GUA A 43 -1.180 -3.163 2.721 1.00 0.00 SBOX O ATOM 1153 C1' GUA A 43 -1.382 0.729 0.474 1.00 0.00 SBOX C ATOM 1154 H1' GUA A 43 -11.224 -1.338 -0.477 1.00 0.00 SBOX ATOM 1155 N9 GUA A 43 -9.146 0.345 1.430 1.00 0.00 SBOX N ATOM 1156 C8 GUA A 43 3.778 7.080 7.131 1.00 0.00 SBOX C ATOM 1157 H8 GUA A 43 -32.816 -9.859 -17.550 1.00 0.00 SBOX ATOM 1158 N7 GUA A 43 0.067 0.380 -0.046 1.00 0.00 SBOX N ATOM 1159 C5 GUA A 43 -0.331 -4.325 0.415 1.00 0.00 SBOX C ATOM 1160 C6 GUA A 43 5.028 5.421 -8.568 1.00 0.00 SBOX C ATOM 1161 O6 GUA A 43 -1.811 -3.104 -0.813 1.00 0.00 SBOX O ATOM 1162 N1 GUA A 43 5.953 2.282 2.371 1.00 0.00 SBOX N ATOM 1163 H1 GUA A 43 -3.571 -13.005 -8.223 1.00 0.00 SBOX ATOM 1164 C2 GUA A 43 -1.471 7.888 -1.107 1.00 0.00 SBOX C ATOM 1165 N2 GUA A 43 4.936 -3.655 6.951 1.00 0.00 SBOX N ATOM 1166 H21 GUA A 43 -11.748 -27.069 0.513 1.00 0.00 SBOX ATOM 1167 H22 GUA A 43 -1.959 -13.748 16.815 1.00 0.00 SBOX ATOM 1168 N3 GUA A 43 1.410 3.911 1.693 1.00 0.00 SBOX N ATOM 1169 C4 GUA A 43 1.729 -3.271 -1.923 1.00 0.00 SBOX C ATOM 1170 C3' GUA A 43 -4.325 -2.870 4.287 1.00 0.00 SBOX C ATOM 1171 H3' GUA A 43 -20.528 13.411 -5.272 1.00 0.00 SBOX ATOM 1172 C2' GUA A 43 8.185 -3.483 7.589 1.00 0.00 SBOX C ATOM 1173 H2'' GUA A 43 21.717 -9.900 0.980 1.00 0.00 SBOX ATOM 1174 O2' GUA A 43 -3.084 -3.965 2.258 1.00 0.00 SBOX O ATOM 1175 H2' GUA A 43 -23.158 1.046 2.501 1.00 0.00 SBOX ATOM 1176 O3' GUA A 43 -5.624 -2.805 1.622 1.00 0.00 SBOX O ATOM 1177 P CYT A 44 -0.170 0.946 2.061 1.00 0.00 SBOX P ATOM 1178 O1P CYT A 44 9.696 -0.186 -2.005 1.00 0.00 SBOX ATOM 1179 O2P CYT A 44 0.399 -0.498 6.111 1.00 0.00 SBOX ATOM 1180 O5' CYT A 44 2.540 -3.722 -2.871 1.00 0.00 SBOX O ATOM 1181 C5' CYT A 44 -5.286 -3.184 -9.440 1.00 0.00 SBOX C ATOM 1182 H5' CYT A 44 -6.920 26.258 -0.658 1.00 0.00 SBOX ATOM 1183 H5'' CYT A 44 -4.081 -12.879 -14.241 1.00 0.00 SBOX ATOM 1184 C4' CYT A 44 -3.140 -3.805 -6.893 1.00 0.00 SBOX C ATOM 1185 H4' CYT A 44 -4.481 4.883 -16.134 1.00 0.00 SBOX ATOM 1186 O4' CYT A 44 1.195 0.283 -2.549 1.00 0.00 SBOX O ATOM 1187 C1' CYT A 44 3.509 0.560 -2.358 1.00 0.00 SBOX C ATOM 1188 H1' CYT A 44 12.376 12.698 0.208 1.00 0.00 SBOX ATOM 1189 N1 CYT A 44 5.690 0.024 3.671 1.00 0.00 SBOX N ATOM 1190 C6 CYT A 44 -0.499 0.202 1.311 1.00 0.00 SBOX C ATOM 1191 H6 CYT A 44 7.147 22.937 4.284 1.00 0.00 SBOX ATOM 1192 C5 CYT A 44 1.235 -5.045 -3.808 1.00 0.00 SBOX C ATOM 1193 H5 CYT A 44 31.440 2.381 -15.823 1.00 0.00 SBOX ATOM 1194 C4 CYT A 44 -1.217 -0.974 1.423 1.00 0.00 SBOX C ATOM 1195 N4 CYT A 44 -3.279 -4.258 -4.413 1.00 0.00 SBOX N ATOM 1196 H41 CYT A 44 -0.434 3.107 -1.194 1.00 0.00 SBOX ATOM 1197 H42 CYT A 44 -4.797 -3.620 9.722 1.00 0.00 SBOX ATOM 1198 N3 CYT A 44 -1.988 0.647 2.976 1.00 0.00 SBOX N ATOM 1199 C2 CYT A 44 5.358 4.523 5.880 1.00 0.00 SBOX C ATOM 1200 O2 CYT A 44 0.513 1.904 -1.141 1.00 0.00 SBOX O ATOM 1201 C3' CYT A 44 -6.327 6.757 4.093 1.00 0.00 SBOX C ATOM 1202 H3' CYT A 44 17.603 15.288 -3.397 1.00 0.00 SBOX ATOM 1203 C2' CYT A 44 2.007 -5.441 -3.991 1.00 0.00 SBOX C ATOM 1204 H2'' CYT A 44 -38.124 9.234 7.855 1.00 0.00 SBOX ATOM 1205 O2' CYT A 44 -1.355 -3.248 1.547 1.00 0.00 SBOX O ATOM 1206 H2' CYT A 44 2.589 0.485 -0.568 1.00 0.00 SBOX ATOM 1207 O3' CYT A 44 -2.824 -3.836 0.393 1.00 0.00 SBOX O ATOM 1208 P ADE A 45 1.075 4.036 -2.868 1.00 0.00 SBOX P ATOM 1209 O1P ADE A 45 4.226 -0.706 3.259 1.00 0.00 SBOX ATOM 1210 O2P ADE A 45 -4.312 -0.864 -5.179 1.00 0.00 SBOX ATOM 1211 O5' ADE A 45 6.784 -3.035 0.699 1.00 0.00 SBOX O ATOM 1212 C5' ADE A 45 -9.342 4.619 -6.145 1.00 0.00 SBOX C ATOM 1213 H5' ADE A 45 13.323 -2.556 1.131 1.00 0.00 SBOX ATOM 1214 H5'' ADE A 45 7.724 -8.502 8.362 1.00 0.00 SBOX ATOM 1215 C4' ADE A 45 -0.597 -4.959 7.239 1.00 0.00 SBOX C ATOM 1216 H4' ADE A 45 -3.517 -1.748 -20.095 1.00 0.00 SBOX ATOM 1217 O4' ADE A 45 -2.806 -1.510 -8.164 1.00 0.00 SBOX O ATOM 1218 C1' ADE A 45 -4.970 -5.979 0.942 1.00 0.00 SBOX C ATOM 1219 H1' ADE A 45 -6.879 -11.903 -1.045 1.00 0.00 SBOX ATOM 1220 N9 ADE A 45 -6.301 8.161 -6.283 1.00 0.00 SBOX N ATOM 1221 C8 ADE A 45 5.092 4.243 3.818 1.00 0.00 SBOX C ATOM 1222 H8 ADE A 45 15.380 -14.920 -1.414 1.00 0.00 SBOX ATOM 1223 N7 ADE A 45 -5.168 4.545 4.526 1.00 0.00 SBOX N ATOM 1224 C5 ADE A 45 -9.393 -0.262 0.473 1.00 0.00 SBOX C ATOM 1225 C6 ADE A 45 2.225 -3.593 2.904 1.00 0.00 SBOX C ATOM 1226 N6 ADE A 45 -1.070 -0.913 2.371 1.00 0.00 SBOX N ATOM 1227 H61 ADE A 45 -13.983 7.346 22.197 1.00 0.00 SBOX ATOM 1228 H62 ADE A 45 -8.205 -15.422 -0.493 1.00 0.00 SBOX ATOM 1229 N1 ADE A 45 1.674 9.029 2.095 1.00 0.00 SBOX N ATOM 1230 C2 ADE A 45 -6.487 5.015 -8.333 1.00 0.00 SBOX C ATOM 1231 H2 ADE A 45 -5.179 -5.742 -16.338 1.00 0.00 SBOX ATOM 1232 N3 ADE A 45 5.332 2.102 5.487 1.00 0.00 SBOX N ATOM 1233 C4 ADE A 45 3.087 -2.764 2.495 1.00 0.00 SBOX C ATOM 1234 C3' ADE A 45 -0.028 -3.135 2.300 1.00 0.00 SBOX C ATOM 1235 H3' ADE A 45 9.822 11.457 -17.640 1.00 0.00 SBOX ATOM 1236 C2' ADE A 45 5.708 -1.147 -9.953 1.00 0.00 SBOX C ATOM 1237 H2'' ADE A 45 -27.416 -9.266 -8.667 1.00 0.00 SBOX ATOM 1238 O2' ADE A 45 -0.142 -0.158 -2.463 1.00 0.00 SBOX O ATOM 1239 H2' ADE A 45 6.600 -10.690 -4.738 1.00 0.00 SBOX ATOM 1240 O3' ADE A 45 1.701 -0.513 -1.827 1.00 0.00 SBOX O ATOM 1241 P ADE A 46 1.320 -3.428 -2.118 1.00 0.00 SBOX P ATOM 1242 O1P ADE A 46 5.804 -0.539 -0.201 1.00 0.00 SBOX ATOM 1243 O2P ADE A 46 3.482 0.437 4.320 1.00 0.00 SBOX ATOM 1244 O5' ADE A 46 -0.680 -0.777 -2.778 1.00 0.00 SBOX O ATOM 1245 C5' ADE A 46 -0.836 7.707 -1.318 1.00 0.00 SBOX C ATOM 1246 H5' ADE A 46 14.024 17.498 7.495 1.00 0.00 SBOX ATOM 1247 H5'' ADE A 46 -23.003 -4.418 -32.212 1.00 0.00 SBOX ATOM 1248 C4' ADE A 46 6.336 2.478 -0.804 1.00 0.00 SBOX C ATOM 1249 H4' ADE A 46 4.217 15.269 22.794 1.00 0.00 SBOX ATOM 1250 O4' ADE A 46 0.885 -3.144 -2.626 1.00 0.00 SBOX O ATOM 1251 C1' ADE A 46 1.646 -6.745 5.683 1.00 0.00 SBOX C ATOM 1252 H1' ADE A 46 -20.709 24.889 19.124 1.00 0.00 SBOX ATOM 1253 N9 ADE A 46 3.894 -0.077 0.986 1.00 0.00 SBOX N ATOM 1254 C8 ADE A 46 0.645 5.154 -5.851 1.00 0.00 SBOX C ATOM 1255 H8 ADE A 46 10.681 0.228 2.231 1.00 0.00 SBOX ATOM 1256 N7 ADE A 46 -2.877 -2.285 0.064 1.00 0.00 SBOX N ATOM 1257 C5 ADE A 46 0.868 2.739 2.622 1.00 0.00 SBOX C ATOM 1258 C6 ADE A 46 0.264 5.388 0.429 1.00 0.00 SBOX C ATOM 1259 N6 ADE A 46 2.517 3.773 3.371 1.00 0.00 SBOX N ATOM 1260 H61 ADE A 46 -2.383 9.794 13.379 1.00 0.00 SBOX ATOM 1261 H62 ADE A 46 2.929 11.446 -9.458 1.00 0.00 SBOX ATOM 1262 N1 ADE A 46 -1.348 5.246 0.663 1.00 0.00 SBOX N ATOM 1263 C2 ADE A 46 3.407 1.453 -6.651 1.00 0.00 SBOX C ATOM 1264 H2 ADE A 46 -0.680 3.942 1.933 1.00 0.00 SBOX ATOM 1265 N3 ADE A 46 4.779 -0.629 -6.434 1.00 0.00 SBOX N ATOM 1266 C4 ADE A 46 -1.509 1.083 -0.461 1.00 0.00 SBOX C ATOM 1267 C3' ADE A 46 -4.783 -2.430 9.591 1.00 0.00 SBOX C ATOM 1268 H3' ADE A 46 3.243 -24.629 -26.044 1.00 0.00 SBOX ATOM 1269 C2' ADE A 46 -1.736 4.444 4.468 1.00 0.00 SBOX C ATOM 1270 H2'' ADE A 46 -15.087 -15.698 -15.775 1.00 0.00 SBOX ATOM 1271 O2' ADE A 46 1.541 0.557 -3.451 1.00 0.00 SBOX O ATOM 1272 H2' ADE A 46 -10.472 -9.294 -10.382 1.00 0.00 SBOX ATOM 1273 O3' ADE A 46 -0.259 -1.675 -1.105 1.00 0.00 SBOX O ATOM 1274 P CYT A 47 0.502 -0.379 3.635 1.00 0.00 SBOX P ATOM 1275 O1P CYT A 47 -6.086 5.793 -0.637 1.00 0.00 SBOX ATOM 1276 O2P CYT A 47 -2.825 -2.594 3.480 1.00 0.00 SBOX ATOM 1277 O5' CYT A 47 4.660 -5.448 1.718 1.00 0.00 SBOX O ATOM 1278 C5' CYT A 47 1.116 0.435 -6.489 1.00 0.00 SBOX C ATOM 1279 H5' CYT A 47 5.819 -17.573 6.100 1.00 0.00 SBOX ATOM 1280 H5'' CYT A 47 -9.902 8.250 -5.256 1.00 0.00 SBOX ATOM 1281 C4' CYT A 47 4.887 -1.739 -7.283 1.00 0.00 SBOX C ATOM 1282 H4' CYT A 47 16.563 9.713 20.208 1.00 0.00 SBOX ATOM 1283 O4' CYT A 47 0.062 2.520 -2.666 1.00 0.00 SBOX O ATOM 1284 C1' CYT A 47 1.093 2.832 -8.288 1.00 0.00 SBOX C ATOM 1285 H1' CYT A 47 -8.418 -6.655 -26.761 1.00 0.00 SBOX ATOM 1286 N1 CYT A 47 -3.327 0.589 1.290 1.00 0.00 SBOX N ATOM 1287 C6 CYT A 47 -3.582 -0.455 7.136 1.00 0.00 SBOX C ATOM 1288 H6 CYT A 47 2.790 -4.171 -4.362 1.00 0.00 SBOX ATOM 1289 C5 CYT A 47 -6.929 4.381 8.446 1.00 0.00 SBOX C ATOM 1290 H5 CYT A 47 -6.749 -8.033 6.737 1.00 0.00 SBOX ATOM 1291 C4 CYT A 47 1.389 -0.850 -3.935 1.00 0.00 SBOX C ATOM 1292 N4 CYT A 47 0.769 -8.450 0.077 1.00 0.00 SBOX N ATOM 1293 H41 CYT A 47 -20.904 1.984 17.493 1.00 0.00 SBOX ATOM 1294 H42 CYT A 47 1.389 7.828 0.543 1.00 0.00 SBOX ATOM 1295 N3 CYT A 47 0.802 0.784 4.817 1.00 0.00 SBOX N ATOM 1296 C2 CYT A 47 2.151 -7.899 0.223 1.00 0.00 SBOX C ATOM 1297 O2 CYT A 47 3.974 8.495 0.881 1.00 0.00 SBOX O ATOM 1298 C3' CYT A 47 1.567 -6.496 -1.978 1.00 0.00 SBOX C ATOM 1299 H3' CYT A 47 1.684 -8.216 -13.636 1.00 0.00 SBOX ATOM 1300 C2' CYT A 47 12.376 -0.700 6.166 1.00 0.00 SBOX C ATOM 1301 H2'' CYT A 47 -22.678 14.797 -14.032 1.00 0.00 SBOX ATOM 1302 O2' CYT A 47 -1.609 -7.071 -2.440 1.00 0.00 SBOX O ATOM 1303 H2' CYT A 47 5.447 -9.889 14.585 1.00 0.00 SBOX ATOM 1304 O3' CYT A 47 -0.391 2.385 3.402 1.00 0.00 SBOX O ATOM 1305 P CYT A 48 -1.036 -2.035 1.948 1.00 0.00 SBOX P ATOM 1306 O1P CYT A 48 1.942 -3.066 -2.490 1.00 0.00 SBOX ATOM 1307 O2P CYT A 48 2.002 -5.394 6.438 1.00 0.00 SBOX ATOM 1308 O5' CYT A 48 -1.468 -2.500 -0.211 1.00 0.00 SBOX O ATOM 1309 C5' CYT A 48 0.002 0.282 -2.045 1.00 0.00 SBOX C ATOM 1310 H5' CYT A 48 -4.309 -13.248 17.451 1.00 0.00 SBOX ATOM 1311 H5'' CYT A 48 -2.305 -20.023 -6.995 1.00 0.00 SBOX ATOM 1312 C4' CYT A 48 6.885 -5.645 -4.741 1.00 0.00 SBOX C ATOM 1313 H4' CYT A 48 16.551 22.534 2.670 1.00 0.00 SBOX ATOM 1314 O4' CYT A 48 -1.374 -2.281 -0.125 1.00 0.00 SBOX O ATOM 1315 C1' CYT A 48 -1.387 4.783 8.374 1.00 0.00 SBOX C ATOM 1316 H1' CYT A 48 2.035 13.623 21.821 1.00 0.00 SBOX ATOM 1317 N1 CYT A 48 0.868 -5.863 1.032 1.00 0.00 SBOX N ATOM 1318 C6 CYT A 48 3.473 -6.348 -1.877 1.00 0.00 SBOX C ATOM 1319 H6 CYT A 48 2.030 7.672 34.101 1.00 0.00 SBOX ATOM 1320 C5 CYT A 48 -0.587 -0.803 -2.091 1.00 0.00 SBOX C ATOM 1321 H5 CYT A 48 -3.087 -4.282 15.456 1.00 0.00 SBOX ATOM 1322 C4 CYT A 48 6.757 10.025 -0.269 1.00 0.00 SBOX C ATOM 1323 N4 CYT A 48 5.319 0.217 -4.990 1.00 0.00 SBOX N ATOM 1324 H41 CYT A 48 -25.411 17.140 23.788 1.00 0.00 SBOX ATOM 1325 H42 CYT A 48 -7.769 15.140 12.832 1.00 0.00 SBOX ATOM 1326 N3 CYT A 48 -8.276 3.900 -2.905 1.00 0.00 SBOX N ATOM 1327 C2 CYT A 48 -5.798 0.718 -5.324 1.00 0.00 SBOX C ATOM 1328 O2 CYT A 48 -0.027 3.032 3.128 1.00 0.00 SBOX O ATOM 1329 C3' CYT A 48 5.168 -0.027 3.972 1.00 0.00 SBOX C ATOM 1330 H3' CYT A 48 6.743 -30.166 -19.509 1.00 0.00 SBOX ATOM 1331 C2' CYT A 48 -1.774 1.651 4.964 1.00 0.00 SBOX C ATOM 1332 H2'' CYT A 48 -8.141 -0.518 -1.520 1.00 0.00 SBOX ATOM 1333 O2' CYT A 48 -5.510 0.356 -1.990 1.00 0.00 SBOX O ATOM 1334 H2' CYT A 48 -23.532 5.410 2.964 1.00 0.00 SBOX ATOM 1335 O3' CYT A 48 5.119 8.608 0.222 1.00 0.00 SBOX O ATOM 1336 P ADE A 49 2.344 6.218 1.912 1.00 0.00 SBOX P ATOM 1337 O1P ADE A 49 7.337 5.268 0.594 1.00 0.00 SBOX ATOM 1338 O2P ADE A 49 -1.814 4.965 2.240 1.00 0.00 SBOX ATOM 1339 O5' ADE A 49 6.703 -0.834 -2.151 1.00 0.00 SBOX O ATOM 1340 C5' ADE A 49 9.888 -5.737 -10.049 1.00 0.00 SBOX C ATOM 1341 H5' ADE A 49 18.129 -2.868 5.779 1.00 0.00 SBOX ATOM 1342 H5'' ADE A 49 9.528 -10.776 -10.267 1.00 0.00 SBOX ATOM 1343 C4' ADE A 49 -9.495 -0.733 -2.879 1.00 0.00 SBOX C ATOM 1344 H4' ADE A 49 -2.675 6.648 -25.283 1.00 0.00 SBOX ATOM 1345 O4' ADE A 49 0.087 2.662 3.893 1.00 0.00 SBOX O ATOM 1346 C1' ADE A 49 3.521 2.318 -5.748 1.00 0.00 SBOX C ATOM 1347 H1' ADE A 49 -18.143 10.318 -15.258 1.00 0.00 SBOX ATOM 1348 N9 ADE A 49 -0.493 2.778 -1.081 1.00 0.00 SBOX N ATOM 1349 C8 ADE A 49 -7.081 1.164 -3.132 1.00 0.00 SBOX C ATOM 1350 H8 ADE A 49 -11.326 -9.567 -23.897 1.00 0.00 SBOX ATOM 1351 N7 ADE A 49 -5.608 0.216 -3.955 1.00 0.00 SBOX N ATOM 1352 C5 ADE A 49 0.087 0.871 1.854 1.00 0.00 SBOX C ATOM 1353 C6 ADE A 49 3.306 -3.540 -0.876 1.00 0.00 SBOX C ATOM 1354 N6 ADE A 49 1.482 0.341 4.098 1.00 0.00 SBOX N ATOM 1355 H61 ADE A 49 14.728 -1.442 -4.346 1.00 0.00 SBOX ATOM 1356 H62 ADE A 49 -1.031 -0.508 -25.966 1.00 0.00 SBOX ATOM 1357 N1 ADE A 49 -2.623 -7.670 0.515 1.00 0.00 SBOX N ATOM 1358 C2 ADE A 49 1.178 -1.370 -0.825 1.00 0.00 SBOX C ATOM 1359 H2 ADE A 49 4.354 -1.303 6.798 1.00 0.00 SBOX ATOM 1360 N3 ADE A 49 0.771 -4.766 7.597 1.00 0.00 SBOX N ATOM 1361 C4 ADE A 49 -2.109 -4.912 3.127 1.00 0.00 SBOX C ATOM 1362 C3' ADE A 49 -1.206 -4.826 -2.479 1.00 0.00 SBOX C ATOM 1363 H3' ADE A 49 -3.598 -1.654 -5.701 1.00 0.00 SBOX ATOM 1364 C2' ADE A 49 -1.548 -2.845 0.948 1.00 0.00 SBOX C ATOM 1365 H2'' ADE A 49 -1.033 -3.480 16.873 1.00 0.00 SBOX ATOM 1366 O2' ADE A 49 -3.884 -5.584 6.133 1.00 0.00 SBOX O ATOM 1367 H2' ADE A 49 16.503 5.345 5.402 1.00 0.00 SBOX ATOM 1368 O3' ADE A 49 4.318 -2.160 -2.489 1.00 0.00 SBOX O ATOM 1369 P GUA A 50 -1.860 3.817 -2.655 1.00 0.00 SBOX P ATOM 1370 O1P GUA A 50 0.172 1.697 3.281 1.00 0.00 SBOX ATOM 1371 O2P GUA A 50 -3.217 -5.927 -2.608 1.00 0.00 SBOX ATOM 1372 O5' GUA A 50 5.553 2.369 -2.271 1.00 0.00 SBOX O ATOM 1373 C5' GUA A 50 -2.266 -1.864 0.189 1.00 0.00 SBOX C ATOM 1374 H5' GUA A 50 12.007 0.557 12.645 1.00 0.00 SBOX ATOM 1375 H5'' GUA A 50 2.136 -15.983 11.797 1.00 0.00 SBOX ATOM 1376 C4' GUA A 50 -6.531 2.217 -0.153 1.00 0.00 SBOX C ATOM 1377 H4' GUA A 50 -8.858 -2.836 8.861 1.00 0.00 SBOX ATOM 1378 O4' GUA A 50 -5.923 2.539 3.497 1.00 0.00 SBOX O ATOM 1379 C1' GUA A 50 -4.625 3.745 8.983 1.00 0.00 SBOX C ATOM 1380 H1' GUA A 50 -20.229 -18.295 -21.494 1.00 0.00 SBOX ATOM 1381 N9 GUA A 50 4.088 6.061 -4.473 1.00 0.00 SBOX N ATOM 1382 C8 GUA A 50 5.996 0.548 6.761 1.00 0.00 SBOX C ATOM 1383 H8 GUA A 50 -9.971 -9.613 16.962 1.00 0.00 SBOX ATOM 1384 N7 GUA A 50 2.403 -1.452 -1.867 1.00 0.00 SBOX N ATOM 1385 C5 GUA A 50 -5.168 -3.499 3.671 1.00 0.00 SBOX C ATOM 1386 C6 GUA A 50 8.204 -0.214 -8.839 1.00 0.00 SBOX C ATOM 1387 O6 GUA A 50 -1.943 5.989 5.797 1.00 0.00 SBOX O ATOM 1388 N1 GUA A 50 0.700 -0.394 -1.139 1.00 0.00 SBOX N ATOM 1389 H1 GUA A 50 -17.840 18.490 13.749 1.00 0.00 SBOX ATOM 1390 C2 GUA A 50 -6.122 10.227 -0.592 1.00 0.00 SBOX C ATOM 1391 N2 GUA A 50 5.492 7.811 1.188 1.00 0.00 SBOX N ATOM 1392 H21 GUA A 50 -6.316 -39.162 24.172 1.00 0.00 SBOX ATOM 1393 H22 GUA A 50 7.896 5.190 8.689 1.00 0.00 SBOX ATOM 1394 N3 GUA A 50 -3.105 -2.386 -0.704 1.00 0.00 SBOX N ATOM 1395 C4 GUA A 50 5.725 4.440 -3.741 1.00 0.00 SBOX C ATOM 1396 C3' GUA A 50 5.145 -2.377 2.907 1.00 0.00 SBOX C ATOM 1397 H3' GUA A 50 4.537 0.661 -13.356 1.00 0.00 SBOX ATOM 1398 C2' GUA A 50 3.015 3.181 -5.119 1.00 0.00 SBOX C ATOM 1399 H2'' GUA A 50 -1.668 10.008 13.167 1.00 0.00 SBOX ATOM 1400 O2' GUA A 50 9.286 4.612 -9.415 1.00 0.00 SBOX O ATOM 1401 H2' GUA A 50 -16.167 -19.363 -4.133 1.00 0.00 SBOX ATOM 1402 O3' GUA A 50 -0.116 -0.999 -3.737 1.00 0.00 SBOX O ATOM 1403 P ADE A 51 0.570 -1.427 -1.788 1.00 0.00 SBOX P ATOM 1404 O1P ADE A 51 -2.459 -0.970 -6.838 1.00 0.00 SBOX ATOM 1405 O2P ADE A 51 -2.497 -2.737 -3.797 1.00 0.00 SBOX ATOM 1406 O5' ADE A 51 -3.491 -3.350 2.517 1.00 0.00 SBOX O ATOM 1407 C5' ADE A 51 -3.811 5.025 -4.127 1.00 0.00 SBOX C ATOM 1408 H5' ADE A 51 -15.992 -6.038 -6.909 1.00 0.00 SBOX ATOM 1409 H5'' ADE A 51 -5.507 0.378 3.228 1.00 0.00 SBOX ATOM 1410 C4' ADE A 51 1.358 0.149 -8.563 1.00 0.00 SBOX C ATOM 1411 H4' ADE A 51 -3.059 2.718 -10.582 1.00 0.00 SBOX ATOM 1412 O4' ADE A 51 3.581 -0.351 6.986 1.00 0.00 SBOX O ATOM 1413 C1' ADE A 51 -4.326 4.206 -0.117 1.00 0.00 SBOX C ATOM 1414 H1' ADE A 51 -11.444 -12.179 3.653 1.00 0.00 SBOX ATOM 1415 N9 ADE A 51 -0.283 2.972 5.503 1.00 0.00 SBOX N ATOM 1416 C8 ADE A 51 1.253 2.623 -6.125 1.00 0.00 SBOX C ATOM 1417 H8 ADE A 51 -27.950 7.327 11.420 1.00 0.00 SBOX ATOM 1418 N7 ADE A 51 -2.413 4.850 0.821 1.00 0.00 SBOX N ATOM 1419 C5 ADE A 51 -2.182 -4.711 -1.140 1.00 0.00 SBOX C ATOM 1420 C6 ADE A 51 1.503 -3.877 4.059 1.00 0.00 SBOX C ATOM 1421 N6 ADE A 51 0.671 0.089 1.435 1.00 0.00 SBOX N ATOM 1422 H61 ADE A 51 -24.168 -10.519 -11.141 1.00 0.00 SBOX ATOM 1423 H62 ADE A 51 10.139 -2.510 -7.693 1.00 0.00 SBOX ATOM 1424 N1 ADE A 51 -0.990 -2.251 -3.812 1.00 0.00 SBOX N ATOM 1425 C2 ADE A 51 1.536 7.511 5.846 1.00 0.00 SBOX C ATOM 1426 H2 ADE A 51 -0.578 6.037 7.672 1.00 0.00 SBOX ATOM 1427 N3 ADE A 51 0.006 -4.161 -1.825 1.00 0.00 SBOX N ATOM 1428 C4 ADE A 51 -3.417 7.484 6.753 1.00 0.00 SBOX C ATOM 1429 C3' ADE A 51 -2.884 3.338 2.002 1.00 0.00 SBOX C ATOM 1430 H3' ADE A 51 -8.680 16.671 4.435 1.00 0.00 SBOX ATOM 1431 C2' ADE A 51 9.150 0.199 -0.158 1.00 0.00 SBOX C ATOM 1432 H2'' ADE A 51 -12.319 -3.265 -9.093 1.00 0.00 SBOX ATOM 1433 O2' ADE A 51 -2.262 2.628 4.205 1.00 0.00 SBOX O ATOM 1434 H2' ADE A 51 27.593 12.241 -5.300 1.00 0.00 SBOX ATOM 1435 O3' ADE A 51 -0.941 -7.776 3.331 1.00 0.00 SBOX O ATOM 1436 P ADE A 52 2.040 1.112 4.912 1.00 0.00 SBOX P ATOM 1437 O1P ADE A 52 -3.812 -2.885 0.875 1.00 0.00 SBOX ATOM 1438 O2P ADE A 52 3.091 -0.980 7.103 1.00 0.00 SBOX ATOM 1439 O5' ADE A 52 -4.285 2.380 -4.935 1.00 0.00 SBOX O ATOM 1440 C5' ADE A 52 -2.676 -2.417 1.184 1.00 0.00 SBOX C ATOM 1441 H5' ADE A 52 -2.652 10.970 -11.748 1.00 0.00 SBOX ATOM 1442 H5'' ADE A 52 -7.142 24.532 -10.285 1.00 0.00 SBOX ATOM 1443 C4' ADE A 52 -5.253 7.735 -0.051 1.00 0.00 SBOX C ATOM 1444 H4' ADE A 52 -2.147 -6.166 -3.746 1.00 0.00 SBOX ATOM 1445 O4' ADE A 52 4.251 -5.287 -2.170 1.00 0.00 SBOX O ATOM 1446 C1' ADE A 52 8.427 -4.260 -6.748 1.00 0.00 SBOX C ATOM 1447 H1' ADE A 52 17.390 11.023 -11.224 1.00 0.00 SBOX ATOM 1448 N9 ADE A 52 -2.199 -0.370 -8.478 1.00 0.00 SBOX N ATOM 1449 C8 ADE A 52 14.403 7.938 -8.246 1.00 0.00 SBOX C ATOM 1450 H8 ADE A 52 -21.764 14.133 -16.803 1.00 0.00 SBOX ATOM 1451 N7 ADE A 52 -2.360 -8.830 -5.239 1.00 0.00 SBOX N ATOM 1452 C5 ADE A 52 -5.332 1.550 6.965 1.00 0.00 SBOX C ATOM 1453 C6 ADE A 52 0.734 -2.637 -3.368 1.00 0.00 SBOX C ATOM 1454 N6 ADE A 52 -4.292 3.589 5.756 1.00 0.00 SBOX N ATOM 1455 H61 ADE A 52 4.370 -3.117 16.811 1.00 0.00 SBOX ATOM 1456 H62 ADE A 52 1.026 7.208 -16.786 1.00 0.00 SBOX ATOM 1457 N1 ADE A 52 0.490 -6.227 4.069 1.00 0.00 SBOX N ATOM 1458 C2 ADE A 52 -3.406 -1.639 0.202 1.00 0.00 SBOX C ATOM 1459 H2 ADE A 52 16.357 8.388 -13.600 1.00 0.00 SBOX ATOM 1460 N3 ADE A 52 4.959 -1.400 8.115 1.00 0.00 SBOX N ATOM 1461 C4 ADE A 52 -2.721 -6.066 -1.029 1.00 0.00 SBOX C ATOM 1462 C3' ADE A 52 -6.524 9.306 -4.123 1.00 0.00 SBOX C ATOM 1463 H3' ADE A 52 -5.190 17.985 4.198 1.00 0.00 SBOX ATOM 1464 C2' ADE A 52 1.419 2.606 -6.054 1.00 0.00 SBOX C ATOM 1465 H2'' ADE A 52 14.291 -6.906 -1.458 1.00 0.00 SBOX ATOM 1466 O2' ADE A 52 -4.164 -5.976 1.373 1.00 0.00 SBOX O ATOM 1467 H2' ADE A 52 10.039 -11.442 -15.863 1.00 0.00 SBOX ATOM 1468 O3' ADE A 52 2.641 2.643 -0.396 1.00 0.00 SBOX O ATOM 1469 P ADE A 53 -2.619 -2.998 -0.239 1.00 0.00 SBOX P ATOM 1470 O1P ADE A 53 -3.114 -2.516 0.175 1.00 0.00 SBOX ATOM 1471 O2P ADE A 53 4.741 8.197 4.183 1.00 0.00 SBOX ATOM 1472 O5' ADE A 53 2.415 -3.347 13.207 1.00 0.00 SBOX O ATOM 1473 C5' ADE A 53 -6.487 3.598 11.921 1.00 0.00 SBOX C ATOM 1474 H5' ADE A 53 -10.092 -18.542 -1.036 1.00 0.00 SBOX ATOM 1475 H5'' ADE A 53 2.826 18.867 9.882 1.00 0.00 SBOX ATOM 1476 C4' ADE A 53 -9.723 -0.621 -1.114 1.00 0.00 SBOX C ATOM 1477 H4' ADE A 53 -1.038 4.715 -6.306 1.00 0.00 SBOX ATOM 1478 O4' ADE A 53 -5.581 -9.146 -1.053 1.00 0.00 SBOX O ATOM 1479 C1' ADE A 53 -2.321 5.554 1.305 1.00 0.00 SBOX C ATOM 1480 H1' ADE A 53 15.597 -2.866 11.961 1.00 0.00 SBOX ATOM 1481 N9 ADE A 53 -3.326 -5.173 -2.214 1.00 0.00 SBOX N ATOM 1482 C8 ADE A 53 6.828 -9.746 -1.238 1.00 0.00 SBOX C ATOM 1483 H8 ADE A 53 -27.082 26.664 16.716 1.00 0.00 SBOX ATOM 1484 N7 ADE A 53 1.653 4.143 -1.132 1.00 0.00 SBOX N ATOM 1485 C5 ADE A 53 1.792 6.233 -2.497 1.00 0.00 SBOX C ATOM 1486 C6 ADE A 53 -0.232 -0.502 -2.774 1.00 0.00 SBOX C ATOM 1487 N6 ADE A 53 -1.497 -4.436 -0.537 1.00 0.00 SBOX N ATOM 1488 H61 ADE A 53 4.285 -30.759 1.011 1.00 0.00 SBOX ATOM 1489 H62 ADE A 53 -17.077 -7.762 24.455 1.00 0.00 SBOX ATOM 1490 N1 ADE A 53 2.510 3.721 1.886 1.00 0.00 SBOX N ATOM 1491 C2 ADE A 53 -2.853 5.416 1.578 1.00 0.00 SBOX C ATOM 1492 H2 ADE A 53 7.481 0.451 0.821 1.00 0.00 SBOX ATOM 1493 N3 ADE A 53 -0.142 -0.551 -1.041 1.00 0.00 SBOX N ATOM 1494 C4 ADE A 53 -2.311 -5.281 -0.914 1.00 0.00 SBOX C ATOM 1495 C3' ADE A 53 4.164 -3.175 -5.739 1.00 0.00 SBOX C ATOM 1496 H3' ADE A 53 18.139 2.733 14.458 1.00 0.00 SBOX ATOM 1497 C2' ADE A 53 1.335 3.375 9.452 1.00 0.00 SBOX C ATOM 1498 H2'' ADE A 53 1.036 -30.513 -24.206 1.00 0.00 SBOX ATOM 1499 O2' ADE A 53 -0.809 -4.461 6.460 1.00 0.00 SBOX O ATOM 1500 H2' ADE A 53 8.165 9.949 4.278 1.00 0.00 SBOX ATOM 1501 O3' ADE A 53 -0.819 3.933 -8.026 1.00 0.00 SBOX O ATOM 1502 P URA A 54 -6.713 2.383 2.091 1.00 0.00 SBOX P ATOM 1503 O1P URA A 54 7.585 -1.827 3.286 1.00 0.00 SBOX ATOM 1504 O2P URA A 54 3.266 6.430 -9.414 1.00 0.00 SBOX ATOM 1505 O5' URA A 54 5.177 -0.648 1.681 1.00 0.00 SBOX O ATOM 1506 C5' URA A 54 -0.360 -6.417 -9.655 1.00 0.00 SBOX C ATOM 1507 H5' URA A 54 12.027 -0.150 -13.968 1.00 0.00 SBOX ATOM 1508 H5'' URA A 54 -14.930 -10.529 -15.339 1.00 0.00 SBOX ATOM 1509 C4' URA A 54 0.359 -5.756 8.731 1.00 0.00 SBOX C ATOM 1510 H4' URA A 54 23.851 -15.146 3.956 1.00 0.00 SBOX ATOM 1511 O4' URA A 54 1.281 2.554 3.693 1.00 0.00 SBOX O ATOM 1512 C1' URA A 54 -3.768 3.423 -6.610 1.00 0.00 SBOX C ATOM 1513 H1' URA A 54 13.973 -8.525 -9.315 1.00 0.00 SBOX ATOM 1514 N1 URA A 54 0.584 -5.376 0.157 1.00 0.00 SBOX N ATOM 1515 C6 URA A 54 1.305 -1.251 -1.638 1.00 0.00 SBOX C ATOM 1516 H6 URA A 54 9.314 -7.116 -18.189 1.00 0.00 SBOX ATOM 1517 C5 URA A 54 -5.361 0.305 1.350 1.00 0.00 SBOX C ATOM 1518 H5 URA A 54 -8.660 6.960 4.687 1.00 0.00 SBOX ATOM 1519 C4 URA A 54 8.376 -8.354 -6.693 1.00 0.00 SBOX C ATOM 1520 O4 URA A 54 0.976 -1.262 -2.610 1.00 0.00 SBOX O ATOM 1521 N3 URA A 54 -3.910 1.049 1.318 1.00 0.00 SBOX N ATOM 1522 H3 URA A 54 21.635 7.922 -11.468 1.00 0.00 SBOX ATOM 1523 C2 URA A 54 -0.978 1.907 -0.230 1.00 0.00 SBOX C ATOM 1524 O2 URA A 54 2.300 2.498 -6.486 1.00 0.00 SBOX O ATOM 1525 C3' URA A 54 -2.430 -5.438 -2.163 1.00 0.00 SBOX C ATOM 1526 H3' URA A 54 -9.569 -5.174 3.438 1.00 0.00 SBOX ATOM 1527 C2' URA A 54 -3.714 -5.274 -0.768 1.00 0.00 SBOX C ATOM 1528 H2'' URA A 54 16.997 3.784 5.551 1.00 0.00 SBOX ATOM 1529 O2' URA A 54 2.277 -4.132 3.738 1.00 0.00 SBOX O ATOM 1530 H2' URA A 54 -2.043 -9.096 27.300 1.00 0.00 SBOX ATOM 1531 O3' URA A 54 2.383 -5.079 0.402 1.00 0.00 SBOX O ATOM 1532 P GUA A 55 2.689 -1.585 1.497 1.00 0.00 SBOX P ATOM 1533 O1P GUA A 55 6.490 -4.629 -1.583 1.00 0.00 SBOX ATOM 1534 O2P GUA A 55 -2.732 4.426 -1.549 1.00 0.00 SBOX ATOM 1535 O5' GUA A 55 -4.150 -3.294 1.380 1.00 0.00 SBOX O ATOM 1536 C5' GUA A 55 -8.985 8.755 4.885 1.00 0.00 SBOX C ATOM 1537 H5' GUA A 55 1.608 5.774 12.638 1.00 0.00 SBOX ATOM 1538 H5'' GUA A 55 -0.091 -2.275 6.631 1.00 0.00 SBOX ATOM 1539 C4' GUA A 55 6.794 8.836 4.075 1.00 0.00 SBOX C ATOM 1540 H4' GUA A 55 15.126 9.907 -4.874 1.00 0.00 SBOX ATOM 1541 O4' GUA A 55 -2.438 0.222 -1.317 1.00 0.00 SBOX O ATOM 1542 C1' GUA A 55 11.583 3.698 -7.181 1.00 0.00 SBOX C ATOM 1543 H1' GUA A 55 -0.745 13.896 -5.005 1.00 0.00 SBOX ATOM 1544 N9 GUA A 55 2.385 -0.812 -3.967 1.00 0.00 SBOX N ATOM 1545 C8 GUA A 55 -5.964 2.353 4.335 1.00 0.00 SBOX C ATOM 1546 H8 GUA A 55 -9.477 -2.851 -5.844 1.00 0.00 SBOX ATOM 1547 N7 GUA A 55 0.690 1.303 -3.781 1.00 0.00 SBOX N ATOM 1548 C5 GUA A 55 5.453 7.315 3.762 1.00 0.00 SBOX C ATOM 1549 C6 GUA A 55 1.821 1.239 -5.788 1.00 0.00 SBOX C ATOM 1550 O6 GUA A 55 -2.764 -2.013 0.234 1.00 0.00 SBOX O ATOM 1551 N1 GUA A 55 -1.892 2.324 -5.636 1.00 0.00 SBOX N ATOM 1552 H1 GUA A 55 -0.920 2.489 -18.735 1.00 0.00 SBOX ATOM 1553 C2 GUA A 55 -1.163 -6.198 8.644 1.00 0.00 SBOX C ATOM 1554 N2 GUA A 55 -6.232 2.097 -0.576 1.00 0.00 SBOX N ATOM 1555 H21 GUA A 55 -14.592 5.124 -6.523 1.00 0.00 SBOX ATOM 1556 H22 GUA A 55 -5.000 -5.010 3.541 1.00 0.00 SBOX ATOM 1557 N3 GUA A 55 2.563 -1.018 -3.737 1.00 0.00 SBOX N ATOM 1558 C4 GUA A 55 6.305 1.935 8.536 1.00 0.00 SBOX C ATOM 1559 C3' GUA A 55 -0.680 1.360 2.994 1.00 0.00 SBOX C ATOM 1560 H3' GUA A 55 -1.771 13.840 -3.675 1.00 0.00 SBOX ATOM 1561 C2' GUA A 55 -7.949 3.077 0.645 1.00 0.00 SBOX C ATOM 1562 H2'' GUA A 55 5.772 -3.086 17.524 1.00 0.00 SBOX ATOM 1563 O2' GUA A 55 -1.082 1.266 -0.286 1.00 0.00 SBOX O ATOM 1564 H2' GUA A 55 -12.210 -5.899 -2.301 1.00 0.00 SBOX ATOM 1565 O3' GUA A 55 0.664 -7.395 2.574 1.00 0.00 SBOX O ATOM 1566 P GUA A 56 2.528 2.743 0.304 1.00 0.00 SBOX P ATOM 1567 O1P GUA A 56 -0.241 3.744 -2.495 1.00 0.00 SBOX ATOM 1568 O2P GUA A 56 -6.306 -0.372 -5.307 1.00 0.00 SBOX ATOM 1569 O5' GUA A 56 -0.128 -2.665 2.299 1.00 0.00 SBOX O ATOM 1570 C5' GUA A 56 -1.246 4.190 11.185 1.00 0.00 SBOX C ATOM 1571 H5' GUA A 56 -0.076 12.346 6.226 1.00 0.00 SBOX ATOM 1572 H5'' GUA A 56 2.702 -24.098 -18.231 1.00 0.00 SBOX ATOM 1573 C4' GUA A 56 4.510 -1.590 -3.539 1.00 0.00 SBOX C ATOM 1574 H4' GUA A 56 17.119 -16.598 -21.050 1.00 0.00 SBOX ATOM 1575 O4' GUA A 56 0.922 2.637 2.063 1.00 0.00 SBOX O ATOM 1576 C1' GUA A 56 -3.668 3.345 4.890 1.00 0.00 SBOX C ATOM 1577 H1' GUA A 56 -1.286 8.787 8.329 1.00 0.00 SBOX ATOM 1578 N9 GUA A 56 -3.873 -2.721 4.369 1.00 0.00 SBOX N ATOM 1579 C8 GUA A 56 -0.710 -1.948 2.723 1.00 0.00 SBOX C ATOM 1580 H8 GUA A 56 10.355 -6.133 -21.390 1.00 0.00 SBOX ATOM 1581 N7 GUA A 56 6.910 -3.147 10.217 1.00 0.00 SBOX N ATOM 1582 C5 GUA A 56 -3.495 -1.445 -3.830 1.00 0.00 SBOX C ATOM 1583 C6 GUA A 56 5.446 -3.364 -0.813 1.00 0.00 SBOX C ATOM 1584 O6 GUA A 56 -6.905 -3.381 3.196 1.00 0.00 SBOX O ATOM 1585 N1 GUA A 56 2.951 5.514 -0.589 1.00 0.00 SBOX N ATOM 1586 H1 GUA A 56 6.812 3.320 -8.933 1.00 0.00 SBOX ATOM 1587 C2 GUA A 56 -3.216 1.583 4.516 1.00 0.00 SBOX C ATOM 1588 N2 GUA A 56 -9.798 4.067 1.491 1.00 0.00 SBOX N ATOM 1589 H21 GUA A 56 -6.340 0.008 4.270 1.00 0.00 SBOX ATOM 1590 H22 GUA A 56 -12.746 -11.725 2.104 1.00 0.00 SBOX ATOM 1591 N3 GUA A 56 -0.932 8.802 -0.935 1.00 0.00 SBOX N ATOM 1592 C4 GUA A 56 -2.498 2.362 2.253 1.00 0.00 SBOX C ATOM 1593 C3' GUA A 56 8.385 -10.686 2.316 1.00 0.00 SBOX C ATOM 1594 H3' GUA A 56 -6.496 33.943 22.036 1.00 0.00 SBOX ATOM 1595 C2' GUA A 56 -6.682 -2.660 2.220 1.00 0.00 SBOX C ATOM 1596 H2'' GUA A 56 14.879 -29.306 16.838 1.00 0.00 SBOX ATOM 1597 O2' GUA A 56 6.997 -2.370 1.917 1.00 0.00 SBOX O ATOM 1598 H2' GUA A 56 6.388 4.091 13.549 1.00 0.00 SBOX ATOM 1599 O3' GUA A 56 0.688 2.431 -2.915 1.00 0.00 SBOX O ATOM 1600 P URA A 57 0.167 4.819 1.818 1.00 0.00 SBOX P ATOM 1601 O1P URA A 57 7.451 -2.245 0.539 1.00 0.00 SBOX ATOM 1602 O2P URA A 57 2.284 -2.486 4.046 1.00 0.00 SBOX ATOM 1603 O5' URA A 57 4.089 -3.661 3.698 1.00 0.00 SBOX O ATOM 1604 C5' URA A 57 4.622 7.758 1.200 1.00 0.00 SBOX C ATOM 1605 H5' URA A 57 -7.994 7.199 -18.845 1.00 0.00 SBOX ATOM 1606 H5'' URA A 57 -34.601 -19.394 22.075 1.00 0.00 SBOX ATOM 1607 C4' URA A 57 -6.223 -3.830 7.595 1.00 0.00 SBOX C ATOM 1608 H4' URA A 57 -8.903 -15.840 3.549 1.00 0.00 SBOX ATOM 1609 O4' URA A 57 -4.224 -5.891 -0.912 1.00 0.00 SBOX O ATOM 1610 C1' URA A 57 -1.134 -2.859 3.956 1.00 0.00 SBOX C ATOM 1611 H1' URA A 57 23.354 16.446 15.539 1.00 0.00 SBOX ATOM 1612 N1 URA A 57 3.007 -4.231 4.014 1.00 0.00 SBOX N ATOM 1613 C6 URA A 57 7.454 -7.035 2.069 1.00 0.00 SBOX C ATOM 1614 H6 URA A 57 -9.028 12.095 16.480 1.00 0.00 SBOX ATOM 1615 C5 URA A 57 -6.238 4.383 0.324 1.00 0.00 SBOX C ATOM 1616 H5 URA A 57 34.960 12.116 -10.054 1.00 0.00 SBOX ATOM 1617 C4 URA A 57 2.303 -2.187 -1.059 1.00 0.00 SBOX C ATOM 1618 O4 URA A 57 2.686 -0.935 -0.421 1.00 0.00 SBOX O ATOM 1619 N3 URA A 57 -1.624 -2.199 6.925 1.00 0.00 SBOX N ATOM 1620 H3 URA A 57 11.888 -12.890 6.990 1.00 0.00 SBOX ATOM 1621 C2 URA A 57 9.440 6.953 -4.794 1.00 0.00 SBOX C ATOM 1622 O2 URA A 57 -0.494 2.073 -0.078 1.00 0.00 SBOX O ATOM 1623 C3' URA A 57 -7.497 -4.498 -1.149 1.00 0.00 SBOX C ATOM 1624 H3' URA A 57 -13.852 8.861 11.234 1.00 0.00 SBOX ATOM 1625 C2' URA A 57 -3.024 -0.209 0.418 1.00 0.00 SBOX C ATOM 1626 H2'' URA A 57 -13.390 12.859 -4.179 1.00 0.00 SBOX ATOM 1627 O2' URA A 57 -2.449 2.842 0.029 1.00 0.00 SBOX O ATOM 1628 H2' URA A 57 -23.284 -11.008 -4.232 1.00 0.00 SBOX ATOM 1629 O3' URA A 57 -12.251 2.835 -5.678 1.00 0.00 SBOX O ATOM 1630 P GUA A 58 5.066 2.065 -0.543 1.00 0.00 SBOX P ATOM 1631 O1P GUA A 58 4.727 -1.284 3.610 1.00 0.00 SBOX ATOM 1632 O2P GUA A 58 -2.585 0.151 -4.970 1.00 0.00 SBOX ATOM 1633 O5' GUA A 58 -0.943 -5.553 -0.073 1.00 0.00 SBOX O ATOM 1634 C5' GUA A 58 -3.299 -0.699 -3.106 1.00 0.00 SBOX C ATOM 1635 H5' GUA A 58 -30.764 8.532 1.261 1.00 0.00 SBOX ATOM 1636 H5'' GUA A 58 2.257 14.090 -11.817 1.00 0.00 SBOX ATOM 1637 C4' GUA A 58 -1.552 5.614 -3.243 1.00 0.00 SBOX C ATOM 1638 H4' GUA A 58 0.264 8.774 2.851 1.00 0.00 SBOX ATOM 1639 O4' GUA A 58 -5.033 -2.409 0.134 1.00 0.00 SBOX O ATOM 1640 C1' GUA A 58 0.996 -5.693 -7.942 1.00 0.00 SBOX C ATOM 1641 H1' GUA A 58 3.455 2.016 0.204 1.00 0.00 SBOX ATOM 1642 N9 GUA A 58 5.766 3.622 11.951 1.00 0.00 SBOX N ATOM 1643 C8 GUA A 58 2.588 -5.439 -0.698 1.00 0.00 SBOX C ATOM 1644 H8 GUA A 58 7.217 -24.874 -9.141 1.00 0.00 SBOX ATOM 1645 N7 GUA A 58 2.149 -5.993 -1.938 1.00 0.00 SBOX N ATOM 1646 C5 GUA A 58 -0.080 -4.444 3.817 1.00 0.00 SBOX C ATOM 1647 C6 GUA A 58 0.342 1.775 0.714 1.00 0.00 SBOX C ATOM 1648 O6 GUA A 58 1.325 3.868 -3.383 1.00 0.00 SBOX O ATOM 1649 N1 GUA A 58 -1.557 3.125 -6.636 1.00 0.00 SBOX N ATOM 1650 H1 GUA A 58 0.568 -9.843 -24.202 1.00 0.00 SBOX ATOM 1651 C2 GUA A 58 -3.446 2.782 5.575 1.00 0.00 SBOX C ATOM 1652 N2 GUA A 58 -2.753 -7.340 -0.090 1.00 0.00 SBOX N ATOM 1653 H21 GUA A 58 3.819 15.176 11.487 1.00 0.00 SBOX ATOM 1654 H22 GUA A 58 -14.428 -3.662 2.125 1.00 0.00 SBOX ATOM 1655 N3 GUA A 58 0.340 7.172 -4.303 1.00 0.00 SBOX N ATOM 1656 C4 GUA A 58 0.113 -2.557 -2.157 1.00 0.00 SBOX C ATOM 1657 C3' GUA A 58 -1.766 -5.305 0.004 1.00 0.00 SBOX C ATOM 1658 H3' GUA A 58 3.691 3.408 14.803 1.00 0.00 SBOX ATOM 1659 C2' GUA A 58 1.453 0.221 -8.165 1.00 0.00 SBOX C ATOM 1660 H2'' GUA A 58 -17.058 -1.629 0.224 1.00 0.00 SBOX ATOM 1661 O2' GUA A 58 -3.480 -1.941 -0.117 1.00 0.00 SBOX O ATOM 1662 H2' GUA A 58 -3.008 -2.799 3.396 1.00 0.00 SBOX ATOM 1663 O3' GUA A 58 -7.911 -1.907 1.198 1.00 0.00 SBOX O ATOM 1664 P CYT A 59 -1.671 4.159 6.444 1.00 0.00 SBOX P ATOM 1665 O1P CYT A 59 -4.114 4.268 -1.766 1.00 0.00 SBOX ATOM 1666 O2P CYT A 59 -3.861 4.374 -1.339 1.00 0.00 SBOX ATOM 1667 O5' CYT A 59 1.515 1.615 5.289 1.00 0.00 SBOX O ATOM 1668 C5' CYT A 59 -6.666 7.056 -1.086 1.00 0.00 SBOX C ATOM 1669 H5' CYT A 59 -3.801 -8.995 -7.961 1.00 0.00 SBOX ATOM 1670 H5'' CYT A 59 17.119 11.980 16.075 1.00 0.00 SBOX ATOM 1671 C4' CYT A 59 -4.050 -5.688 0.641 1.00 0.00 SBOX C ATOM 1672 H4' CYT A 59 19.425 -13.177 -32.788 1.00 0.00 SBOX ATOM 1673 O4' CYT A 59 6.374 2.751 -0.216 1.00 0.00 SBOX O ATOM 1674 C1' CYT A 59 0.682 8.025 6.954 1.00 0.00 SBOX C ATOM 1675 H1' CYT A 59 -1.628 -11.656 5.886 1.00 0.00 SBOX ATOM 1676 N1 CYT A 59 2.767 -0.593 7.816 1.00 0.00 SBOX N ATOM 1677 C6 CYT A 59 0.174 -1.691 -4.175 1.00 0.00 SBOX C ATOM 1678 H6 CYT A 59 10.300 10.394 -0.134 1.00 0.00 SBOX ATOM 1679 C5 CYT A 59 -2.649 0.741 5.410 1.00 0.00 SBOX C ATOM 1680 H5 CYT A 59 -1.705 11.736 -5.735 1.00 0.00 SBOX ATOM 1681 C4 CYT A 59 0.141 -5.436 -3.260 1.00 0.00 SBOX C ATOM 1682 N4 CYT A 59 -1.346 7.262 3.958 1.00 0.00 SBOX N ATOM 1683 H41 CYT A 59 -16.999 -10.431 -9.093 1.00 0.00 SBOX ATOM 1684 H42 CYT A 59 2.615 2.844 -6.369 1.00 0.00 SBOX ATOM 1685 N3 CYT A 59 2.995 -0.626 -3.052 1.00 0.00 SBOX N ATOM 1686 C2 CYT A 59 2.574 -2.405 -0.415 1.00 0.00 SBOX C ATOM 1687 O2 CYT A 59 -1.396 0.760 -2.344 1.00 0.00 SBOX O ATOM 1688 C3' CYT A 59 -6.132 2.275 -1.941 1.00 0.00 SBOX C ATOM 1689 H3' CYT A 59 -10.890 6.547 -23.000 1.00 0.00 SBOX ATOM 1690 C2' CYT A 59 -5.314 -0.829 0.325 1.00 0.00 SBOX C ATOM 1691 H2'' CYT A 59 19.324 2.396 2.855 1.00 0.00 SBOX ATOM 1692 O2' CYT A 59 0.909 -1.633 -0.558 1.00 0.00 SBOX O ATOM 1693 H2' CYT A 59 -7.542 -18.799 -2.047 1.00 0.00 SBOX ATOM 1694 O3' CYT A 59 -5.352 1.101 3.635 1.00 0.00 SBOX O ATOM 1695 P CYT A 60 1.451 -0.934 2.903 1.00 0.00 SBOX P ATOM 1696 O1P CYT A 60 -0.139 -1.161 4.686 1.00 0.00 SBOX ATOM 1697 O2P CYT A 60 -4.200 -2.105 -4.190 1.00 0.00 SBOX ATOM 1698 O5' CYT A 60 1.155 1.373 3.724 1.00 0.00 SBOX O ATOM 1699 C5' CYT A 60 -1.725 -0.690 -2.302 1.00 0.00 SBOX C ATOM 1700 H5' CYT A 60 -0.691 5.247 3.952 1.00 0.00 SBOX ATOM 1701 H5'' CYT A 60 -2.358 3.737 -4.836 1.00 0.00 SBOX ATOM 1702 C4' CYT A 60 2.525 -1.615 2.519 1.00 0.00 SBOX C ATOM 1703 H4' CYT A 60 -2.343 3.007 5.182 1.00 0.00 SBOX ATOM 1704 O4' CYT A 60 -4.237 -5.058 -3.762 1.00 0.00 SBOX O ATOM 1705 C1' CYT A 60 5.948 -0.729 -0.458 1.00 0.00 SBOX C ATOM 1706 H1' CYT A 60 -3.510 -6.625 -24.949 1.00 0.00 SBOX ATOM 1707 N1 CYT A 60 0.288 1.543 3.037 1.00 0.00 SBOX N ATOM 1708 C6 CYT A 60 -2.972 -1.459 10.386 1.00 0.00 SBOX C ATOM 1709 H6 CYT A 60 3.170 -1.046 -8.874 1.00 0.00 SBOX ATOM 1710 C5 CYT A 60 -6.433 -6.009 -5.077 1.00 0.00 SBOX C ATOM 1711 H5 CYT A 60 -5.274 2.951 -1.692 1.00 0.00 SBOX ATOM 1712 C4 CYT A 60 6.171 5.852 0.326 1.00 0.00 SBOX C ATOM 1713 N4 CYT A 60 -2.786 -5.066 -3.942 1.00 0.00 SBOX N ATOM 1714 H41 CYT A 60 -6.203 -7.005 -22.634 1.00 0.00 SBOX ATOM 1715 H42 CYT A 60 9.068 1.600 -16.838 1.00 0.00 SBOX ATOM 1716 N3 CYT A 60 3.539 1.569 -1.806 1.00 0.00 SBOX N ATOM 1717 C2 CYT A 60 1.480 -3.544 -2.735 1.00 0.00 SBOX C ATOM 1718 O2 CYT A 60 8.104 -7.098 1.776 1.00 0.00 SBOX O ATOM 1719 C3' CYT A 60 -2.723 2.221 -0.088 1.00 0.00 SBOX C ATOM 1720 H3' CYT A 60 -2.660 4.202 -15.420 1.00 0.00 SBOX ATOM 1721 C2' CYT A 60 3.146 -3.090 4.451 1.00 0.00 SBOX C ATOM 1722 H2'' CYT A 60 4.226 -6.185 -0.150 1.00 0.00 SBOX ATOM 1723 O2' CYT A 60 7.166 -0.378 -1.877 1.00 0.00 SBOX O ATOM 1724 H2' CYT A 60 11.920 -2.975 -7.986 1.00 0.00 SBOX ATOM 1725 O3' CYT A 60 -3.348 7.175 -2.297 1.00 0.00 SBOX O ATOM 1726 P ADE A 61 1.463 -1.270 0.156 1.00 0.00 SBOX P ATOM 1727 O1P ADE A 61 -4.509 1.160 -4.830 1.00 0.00 SBOX ATOM 1728 O2P ADE A 61 2.816 -6.158 0.425 1.00 0.00 SBOX ATOM 1729 O5' ADE A 61 -2.297 2.939 -4.899 1.00 0.00 SBOX O ATOM 1730 C5' ADE A 61 -2.768 -1.927 6.675 1.00 0.00 SBOX C ATOM 1731 H5' ADE A 61 0.196 6.262 7.611 1.00 0.00 SBOX ATOM 1732 H5'' ADE A 61 2.458 24.031 -27.209 1.00 0.00 SBOX ATOM 1733 C4' ADE A 61 -0.292 -3.739 -2.347 1.00 0.00 SBOX C ATOM 1734 H4' ADE A 61 22.123 31.626 -10.692 1.00 0.00 SBOX ATOM 1735 O4' ADE A 61 -6.278 8.616 0.872 1.00 0.00 SBOX O ATOM 1736 C1' ADE A 61 -13.284 -2.460 3.435 1.00 0.00 SBOX C ATOM 1737 H1' ADE A 61 -12.378 -7.613 1.567 1.00 0.00 SBOX ATOM 1738 N9 ADE A 61 1.212 -2.077 -5.543 1.00 0.00 SBOX N ATOM 1739 C8 ADE A 61 -5.714 1.206 0.827 1.00 0.00 SBOX C ATOM 1740 H8 ADE A 61 -24.310 0.474 2.761 1.00 0.00 SBOX ATOM 1741 N7 ADE A 61 -5.363 -2.579 -4.425 1.00 0.00 SBOX N ATOM 1742 C5 ADE A 61 -3.306 3.725 -2.693 1.00 0.00 SBOX C ATOM 1743 C6 ADE A 61 -1.597 -3.514 -7.859 1.00 0.00 SBOX C ATOM 1744 N6 ADE A 61 -7.122 2.619 2.551 1.00 0.00 SBOX N ATOM 1745 H61 ADE A 61 0.425 -10.059 12.205 1.00 0.00 SBOX ATOM 1746 H62 ADE A 61 18.388 -14.514 -13.264 1.00 0.00 SBOX ATOM 1747 N1 ADE A 61 -6.371 -3.036 0.664 1.00 0.00 SBOX N ATOM 1748 C2 ADE A 61 2.176 -2.409 -3.312 1.00 0.00 SBOX C ATOM 1749 H2 ADE A 61 -23.649 21.346 4.699 1.00 0.00 SBOX ATOM 1750 N3 ADE A 61 -4.641 1.448 4.553 1.00 0.00 SBOX N ATOM 1751 C4 ADE A 61 -4.264 -4.538 3.047 1.00 0.00 SBOX C ATOM 1752 C3' ADE A 61 8.002 4.007 -0.301 1.00 0.00 SBOX C ATOM 1753 H3' ADE A 61 8.140 8.426 3.844 1.00 0.00 SBOX ATOM 1754 C2' ADE A 61 1.648 3.356 -10.632 1.00 0.00 SBOX C ATOM 1755 H2'' ADE A 61 8.331 4.558 -13.000 1.00 0.00 SBOX ATOM 1756 O2' ADE A 61 -1.161 -1.594 -3.422 1.00 0.00 SBOX O ATOM 1757 H2' ADE A 61 -5.771 4.858 -9.178 1.00 0.00 SBOX ATOM 1758 O3' ADE A 61 4.339 0.734 -0.711 1.00 0.00 SBOX O ATOM 1759 P ADE A 62 -1.732 -3.176 1.312 1.00 0.00 SBOX P ATOM 1760 O1P ADE A 62 0.049 -7.258 -6.972 1.00 0.00 SBOX ATOM 1761 O2P ADE A 62 3.571 0.464 -5.291 1.00 0.00 SBOX ATOM 1762 O5' ADE A 62 -2.371 2.670 6.360 1.00 0.00 SBOX O ATOM 1763 C5' ADE A 62 3.574 -0.010 -2.048 1.00 0.00 SBOX C ATOM 1764 H5' ADE A 62 3.988 11.716 10.858 1.00 0.00 SBOX ATOM 1765 H5'' ADE A 62 11.388 11.967 16.600 1.00 0.00 SBOX ATOM 1766 C4' ADE A 62 -1.867 2.593 1.327 1.00 0.00 SBOX C ATOM 1767 H4' ADE A 62 12.273 -16.588 -8.766 1.00 0.00 SBOX ATOM 1768 O4' ADE A 62 3.414 -0.301 -0.039 1.00 0.00 SBOX O ATOM 1769 C1' ADE A 62 -5.907 5.856 3.396 1.00 0.00 SBOX C ATOM 1770 H1' ADE A 62 -12.401 -3.413 5.400 1.00 0.00 SBOX ATOM 1771 N9 ADE A 62 -10.884 -1.451 4.739 1.00 0.00 SBOX N ATOM 1772 C8 ADE A 62 1.567 2.008 -6.409 1.00 0.00 SBOX C ATOM 1773 H8 ADE A 62 -13.742 -16.486 -10.272 1.00 0.00 SBOX ATOM 1774 N7 ADE A 62 -0.983 -0.253 -3.570 1.00 0.00 SBOX N ATOM 1775 C5 ADE A 62 1.565 0.505 -0.298 1.00 0.00 SBOX C ATOM 1776 C6 ADE A 62 -0.647 0.238 -5.701 1.00 0.00 SBOX C ATOM 1777 N6 ADE A 62 -3.010 -0.546 -5.763 1.00 0.00 SBOX N ATOM 1778 H61 ADE A 62 -3.845 -10.992 3.667 1.00 0.00 SBOX ATOM 1779 H62 ADE A 62 33.360 -9.947 1.230 1.00 0.00 SBOX ATOM 1780 N1 ADE A 62 4.563 1.247 0.775 1.00 0.00 SBOX N ATOM 1781 C2 ADE A 62 4.195 0.784 0.425 1.00 0.00 SBOX C ATOM 1782 H2 ADE A 62 -0.529 -7.633 6.173 1.00 0.00 SBOX ATOM 1783 N3 ADE A 62 -5.564 2.081 0.466 1.00 0.00 SBOX N ATOM 1784 C4 ADE A 62 -1.305 -0.586 0.698 1.00 0.00 SBOX C ATOM 1785 C3' ADE A 62 -6.111 1.382 -1.219 1.00 0.00 SBOX C ATOM 1786 H3' ADE A 62 -2.242 0.688 -4.466 1.00 0.00 SBOX ATOM 1787 C2' ADE A 62 1.229 -1.536 -2.605 1.00 0.00 SBOX C ATOM 1788 H2'' ADE A 62 -13.458 -23.047 -2.700 1.00 0.00 SBOX ATOM 1789 O2' ADE A 62 1.763 2.729 -1.924 1.00 0.00 SBOX O ATOM 1790 H2' ADE A 62 -7.517 -7.671 -22.771 1.00 0.00 SBOX ATOM 1791 O3' ADE A 62 -2.272 4.620 4.828 1.00 0.00 SBOX O ATOM 1792 P URA A 63 -4.930 3.695 -1.582 1.00 0.00 SBOX P ATOM 1793 O1P URA A 63 0.833 1.467 1.028 1.00 0.00 SBOX ATOM 1794 O2P URA A 63 1.736 -5.371 4.974 1.00 0.00 SBOX ATOM 1795 O5' URA A 63 -2.461 -5.591 -2.294 1.00 0.00 SBOX O ATOM 1796 C5' URA A 63 -3.091 -1.392 -7.869 1.00 0.00 SBOX C ATOM 1797 H5' URA A 63 -4.210 5.784 -0.393 1.00 0.00 SBOX ATOM 1798 H5'' URA A 63 -8.012 6.423 -33.470 1.00 0.00 SBOX ATOM 1799 C4' URA A 63 2.800 -1.893 -0.306 1.00 0.00 SBOX C ATOM 1800 H4' URA A 63 3.106 -5.822 4.151 1.00 0.00 SBOX ATOM 1801 O4' URA A 63 -2.992 0.464 -3.168 1.00 0.00 SBOX O ATOM 1802 C1' URA A 63 -1.240 -4.362 -1.981 1.00 0.00 SBOX C ATOM 1803 H1' URA A 63 5.170 0.128 1.705 1.00 0.00 SBOX ATOM 1804 N1 URA A 63 -1.621 -5.250 7.570 1.00 0.00 SBOX N ATOM 1805 C6 URA A 63 3.343 -7.324 1.247 1.00 0.00 SBOX C ATOM 1806 H6 URA A 63 -13.239 3.533 7.043 1.00 0.00 SBOX ATOM 1807 C5 URA A 63 1.330 -8.029 -1.713 1.00 0.00 SBOX C ATOM 1808 H5 URA A 63 1.174 -32.296 -2.065 1.00 0.00 SBOX ATOM 1809 C4 URA A 63 -6.076 0.174 3.418 1.00 0.00 SBOX C ATOM 1810 O4 URA A 63 -8.305 -4.410 -1.525 1.00 0.00 SBOX O ATOM 1811 N3 URA A 63 0.182 1.627 -7.056 1.00 0.00 SBOX N ATOM 1812 H3 URA A 63 18.018 1.049 19.299 1.00 0.00 SBOX ATOM 1813 C2 URA A 63 -1.546 -3.336 -2.702 1.00 0.00 SBOX C ATOM 1814 O2 URA A 63 -0.236 -0.270 4.311 1.00 0.00 SBOX O ATOM 1815 C3' URA A 63 8.644 0.924 -1.397 1.00 0.00 SBOX C ATOM 1816 H3' URA A 63 -0.018 12.861 9.825 1.00 0.00 SBOX ATOM 1817 C2' URA A 63 4.078 3.961 -7.466 1.00 0.00 SBOX C ATOM 1818 H2'' URA A 63 -0.829 -15.748 -9.516 1.00 0.00 SBOX ATOM 1819 O2' URA A 63 -5.196 3.539 -0.308 1.00 0.00 SBOX O ATOM 1820 H2' URA A 63 1.626 8.616 1.643 1.00 0.00 SBOX ATOM 1821 O3' URA A 63 -3.658 2.898 11.283 1.00 0.00 SBOX O ATOM 1822 P URA A 64 0.912 -0.378 -0.545 1.00 0.00 SBOX P ATOM 1823 O1P URA A 64 3.591 4.443 -5.370 1.00 0.00 SBOX ATOM 1824 O2P URA A 64 2.786 0.560 -5.715 1.00 0.00 SBOX ATOM 1825 O5' URA A 64 0.414 -3.084 4.832 1.00 0.00 SBOX O ATOM 1826 C5' URA A 64 -3.065 -0.129 -0.330 1.00 0.00 SBOX C ATOM 1827 H5' URA A 64 6.794 -0.322 -5.734 1.00 0.00 SBOX ATOM 1828 H5'' URA A 64 -22.029 6.405 4.912 1.00 0.00 SBOX ATOM 1829 C4' URA A 64 0.243 -2.012 7.818 1.00 0.00 SBOX C ATOM 1830 H4' URA A 64 -6.424 0.728 -4.726 1.00 0.00 SBOX ATOM 1831 O4' URA A 64 -4.135 -0.382 -0.465 1.00 0.00 SBOX O ATOM 1832 C1' URA A 64 -1.856 -4.479 5.324 1.00 0.00 SBOX C ATOM 1833 H1' URA A 64 -10.409 3.961 -40.469 1.00 0.00 SBOX ATOM 1834 N1 URA A 64 2.119 4.178 2.404 1.00 0.00 SBOX N ATOM 1835 C6 URA A 64 -3.814 -6.960 -3.754 1.00 0.00 SBOX C ATOM 1836 H6 URA A 64 3.246 16.241 4.861 1.00 0.00 SBOX ATOM 1837 C5 URA A 64 -6.405 2.902 2.183 1.00 0.00 SBOX C ATOM 1838 H5 URA A 64 -16.398 21.508 -10.211 1.00 0.00 SBOX ATOM 1839 C4 URA A 64 -2.027 -1.769 2.679 1.00 0.00 SBOX C ATOM 1840 O4 URA A 64 -2.614 -4.051 4.329 1.00 0.00 SBOX O ATOM 1841 N3 URA A 64 -5.551 0.359 7.438 1.00 0.00 SBOX N ATOM 1842 H3 URA A 64 -9.507 -9.195 7.586 1.00 0.00 SBOX ATOM 1843 C2 URA A 64 0.082 -4.991 -4.896 1.00 0.00 SBOX C ATOM 1844 O2 URA A 64 1.008 1.503 2.304 1.00 0.00 SBOX O ATOM 1845 C3' URA A 64 -5.129 -4.307 -5.454 1.00 0.00 SBOX C ATOM 1846 H3' URA A 64 6.422 -26.614 0.756 1.00 0.00 SBOX ATOM 1847 C2' URA A 64 1.750 1.069 -1.358 1.00 0.00 SBOX C ATOM 1848 H2'' URA A 64 6.701 1.233 11.180 1.00 0.00 SBOX ATOM 1849 O2' URA A 64 7.018 -6.544 -8.807 1.00 0.00 SBOX O ATOM 1850 H2' URA A 64 -4.469 -1.593 -3.707 1.00 0.00 SBOX ATOM 1851 O3' URA A 64 1.178 -4.090 7.267 1.00 0.00 SBOX O ATOM 1852 P CYT A 65 1.425 -2.349 -4.770 1.00 0.00 SBOX P ATOM 1853 O1P CYT A 65 -0.836 6.874 -1.798 1.00 0.00 SBOX ATOM 1854 O2P CYT A 65 -2.258 3.617 0.234 1.00 0.00 SBOX ATOM 1855 O5' CYT A 65 -1.454 -0.262 -2.583 1.00 0.00 SBOX O ATOM 1856 C5' CYT A 65 -4.786 0.489 -0.893 1.00 0.00 SBOX C ATOM 1857 H5' CYT A 65 15.736 9.094 6.137 1.00 0.00 SBOX ATOM 1858 H5'' CYT A 65 10.265 38.484 20.344 1.00 0.00 SBOX ATOM 1859 C4' CYT A 65 -1.073 -2.641 -1.718 1.00 0.00 SBOX C ATOM 1860 H4' CYT A 65 5.635 -16.956 -23.260 1.00 0.00 SBOX ATOM 1861 O4' CYT A 65 -1.519 -5.307 1.838 1.00 0.00 SBOX O ATOM 1862 C1' CYT A 65 -6.758 1.659 -1.528 1.00 0.00 SBOX C ATOM 1863 H1' CYT A 65 16.152 -1.214 -10.506 1.00 0.00 SBOX ATOM 1864 N1 CYT A 65 -1.171 6.276 7.924 1.00 0.00 SBOX N ATOM 1865 C6 CYT A 65 8.377 1.768 -0.993 1.00 0.00 SBOX C ATOM 1866 H6 CYT A 65 0.901 -19.305 12.929 1.00 0.00 SBOX ATOM 1867 C5 CYT A 65 2.389 -7.993 -1.965 1.00 0.00 SBOX C ATOM 1868 H5 CYT A 65 2.855 -6.930 -4.606 1.00 0.00 SBOX ATOM 1869 C4 CYT A 65 -0.041 -1.004 3.236 1.00 0.00 SBOX C ATOM 1870 N4 CYT A 65 -4.148 0.343 1.436 1.00 0.00 SBOX N ATOM 1871 H41 CYT A 65 -14.112 -12.417 2.986 1.00 0.00 SBOX ATOM 1872 H42 CYT A 65 -21.109 28.238 -0.967 1.00 0.00 SBOX ATOM 1873 N3 CYT A 65 -2.968 -1.497 1.125 1.00 0.00 SBOX N ATOM 1874 C2 CYT A 65 -6.682 4.092 -1.317 1.00 0.00 SBOX C ATOM 1875 O2 CYT A 65 4.025 -1.231 -0.987 1.00 0.00 SBOX O ATOM 1876 C3' CYT A 65 -5.539 -1.228 2.299 1.00 0.00 SBOX C ATOM 1877 H3' CYT A 65 -8.891 -27.144 22.153 1.00 0.00 SBOX ATOM 1878 C2' CYT A 65 1.898 -5.105 1.460 1.00 0.00 SBOX C ATOM 1879 H2'' CYT A 65 -15.032 -19.657 12.642 1.00 0.00 SBOX ATOM 1880 O2' CYT A 65 -0.693 4.182 2.910 1.00 0.00 SBOX O ATOM 1881 H2' CYT A 65 10.078 18.866 9.808 1.00 0.00 SBOX ATOM 1882 O3' CYT A 65 0.684 -4.474 3.736 1.00 0.00 SBOX O ATOM 1883 P CYT A 66 7.008 -0.973 2.537 1.00 0.00 SBOX P ATOM 1884 O1P CYT A 66 -6.318 -2.642 -0.941 1.00 0.00 SBOX ATOM 1885 O2P CYT A 66 3.310 6.850 -0.800 1.00 0.00 SBOX ATOM 1886 O5' CYT A 66 6.860 1.653 5.781 1.00 0.00 SBOX O ATOM 1887 C5' CYT A 66 3.052 3.605 -12.438 1.00 0.00 SBOX C ATOM 1888 H5' CYT A 66 -11.450 -2.191 -2.466 1.00 0.00 SBOX ATOM 1889 H5'' CYT A 66 3.994 8.438 -6.271 1.00 0.00 SBOX ATOM 1890 C4' CYT A 66 4.195 -4.875 1.663 1.00 0.00 SBOX C ATOM 1891 H4' CYT A 66 26.154 5.215 -30.907 1.00 0.00 SBOX ATOM 1892 O4' CYT A 66 -1.321 4.940 0.118 1.00 0.00 SBOX O ATOM 1893 C1' CYT A 66 -3.733 -1.234 0.119 1.00 0.00 SBOX C ATOM 1894 H1' CYT A 66 -20.653 18.445 -4.123 1.00 0.00 SBOX ATOM 1895 N1 CYT A 66 -2.387 4.213 -1.624 1.00 0.00 SBOX N ATOM 1896 C6 CYT A 66 9.341 -2.608 0.978 1.00 0.00 SBOX C ATOM 1897 H6 CYT A 66 4.124 24.219 -24.900 1.00 0.00 SBOX ATOM 1898 C5 CYT A 66 -4.279 2.966 -5.224 1.00 0.00 SBOX C ATOM 1899 H5 CYT A 66 -2.596 -4.977 5.615 1.00 0.00 SBOX ATOM 1900 C4 CYT A 66 7.664 2.804 -9.428 1.00 0.00 SBOX C ATOM 1901 N4 CYT A 66 4.166 -7.326 -5.419 1.00 0.00 SBOX N ATOM 1902 H41 CYT A 66 0.217 -7.027 -24.027 1.00 0.00 SBOX ATOM 1903 H42 CYT A 66 -9.940 -12.710 0.890 1.00 0.00 SBOX ATOM 1904 N3 CYT A 66 -8.965 2.355 -6.398 1.00 0.00 SBOX N ATOM 1905 C2 CYT A 66 7.827 0.380 -3.573 1.00 0.00 SBOX C ATOM 1906 O2 CYT A 66 -0.729 -2.375 0.010 1.00 0.00 SBOX O ATOM 1907 C3' CYT A 66 2.062 -0.132 -5.416 1.00 0.00 SBOX C ATOM 1908 H3' CYT A 66 -9.746 15.907 -3.954 1.00 0.00 SBOX ATOM 1909 C2' CYT A 66 -2.198 0.933 7.439 1.00 0.00 SBOX C ATOM 1910 H2'' CYT A 66 3.708 4.003 -1.919 1.00 0.00 SBOX ATOM 1911 O2' CYT A 66 -4.131 -0.436 -2.192 1.00 0.00 SBOX O ATOM 1912 H2' CYT A 66 8.730 -4.795 16.635 1.00 0.00 SBOX ATOM 1913 O3' CYT A 66 -3.918 0.245 -4.743 1.00 0.00 SBOX O ATOM 1914 P URA A 67 1.671 -2.693 -2.450 1.00 0.00 SBOX P ATOM 1915 O1P URA A 67 3.756 4.018 2.989 1.00 0.00 SBOX ATOM 1916 O2P URA A 67 3.731 -0.145 3.913 1.00 0.00 SBOX ATOM 1917 O5' URA A 67 -1.724 -0.740 -0.096 1.00 0.00 SBOX O ATOM 1918 C5' URA A 67 -0.492 7.901 -0.634 1.00 0.00 SBOX C ATOM 1919 H5' URA A 67 -4.456 5.463 0.297 1.00 0.00 SBOX ATOM 1920 H5'' URA A 67 18.272 -0.928 1.052 1.00 0.00 SBOX ATOM 1921 C4' URA A 67 4.452 5.340 5.851 1.00 0.00 SBOX C ATOM 1922 H4' URA A 67 -6.485 7.454 3.367 1.00 0.00 SBOX ATOM 1923 O4' URA A 67 0.548 1.542 0.675 1.00 0.00 SBOX O ATOM 1924 C1' URA A 67 -8.213 5.343 -4.827 1.00 0.00 SBOX C ATOM 1925 H1' URA A 67 -13.649 24.248 -10.309 1.00 0.00 SBOX ATOM 1926 N1 URA A 67 -3.210 -0.297 4.616 1.00 0.00 SBOX N ATOM 1927 C6 URA A 67 -3.420 -9.027 -1.961 1.00 0.00 SBOX C ATOM 1928 H6 URA A 67 4.814 -22.451 17.879 1.00 0.00 SBOX ATOM 1929 C5 URA A 67 5.137 2.095 5.894 1.00 0.00 SBOX C ATOM 1930 H5 URA A 67 12.842 3.198 19.311 1.00 0.00 SBOX ATOM 1931 C4 URA A 67 -9.047 -0.735 2.053 1.00 0.00 SBOX C ATOM 1932 O4 URA A 67 -1.646 0.484 1.258 1.00 0.00 SBOX O ATOM 1933 N3 URA A 67 1.804 -2.225 0.694 1.00 0.00 SBOX N ATOM 1934 H3 URA A 67 -0.927 1.422 -9.888 1.00 0.00 SBOX ATOM 1935 C2 URA A 67 9.875 -5.325 -1.527 1.00 0.00 SBOX C ATOM 1936 O2 URA A 67 -4.894 0.659 2.014 1.00 0.00 SBOX O ATOM 1937 C3' URA A 67 -1.348 -2.074 -1.900 1.00 0.00 SBOX C ATOM 1938 H3' URA A 67 8.406 15.536 -1.362 1.00 0.00 SBOX ATOM 1939 C2' URA A 67 3.711 0.738 -4.174 1.00 0.00 SBOX C ATOM 1940 H2'' URA A 67 -6.209 -1.199 0.194 1.00 0.00 SBOX ATOM 1941 O2' URA A 67 5.641 4.920 2.418 1.00 0.00 SBOX O ATOM 1942 H2' URA A 67 -5.825 -11.598 -1.586 1.00 0.00 SBOX ATOM 1943 O3' URA A 67 0.693 4.777 8.069 1.00 0.00 SBOX O ATOM 1944 P GUA A 68 0.633 -0.522 -2.929 1.00 0.00 SBOX P ATOM 1945 O1P GUA A 68 2.053 -10.213 1.162 1.00 0.00 SBOX ATOM 1946 O2P GUA A 68 -3.513 -0.825 1.477 1.00 0.00 SBOX ATOM 1947 O5' GUA A 68 0.565 2.350 1.830 1.00 0.00 SBOX O ATOM 1948 C5' GUA A 68 -4.905 0.601 -1.031 1.00 0.00 SBOX C ATOM 1949 H5' GUA A 68 -19.856 23.881 0.892 1.00 0.00 SBOX ATOM 1950 H5'' GUA A 68 -12.147 -0.687 -4.959 1.00 0.00 SBOX ATOM 1951 C4' GUA A 68 -3.006 -4.349 3.845 1.00 0.00 SBOX C ATOM 1952 H4' GUA A 68 1.022 3.921 -2.862 1.00 0.00 SBOX ATOM 1953 O4' GUA A 68 -1.013 0.425 0.000 1.00 0.00 SBOX O ATOM 1954 C1' GUA A 68 9.467 -0.633 3.399 1.00 0.00 SBOX C ATOM 1955 H1' GUA A 68 0.192 17.782 1.627 1.00 0.00 SBOX ATOM 1956 N9 GUA A 68 -2.358 1.731 6.994 1.00 0.00 SBOX N ATOM 1957 C8 GUA A 68 -8.106 13.783 -0.438 1.00 0.00 SBOX C ATOM 1958 H8 GUA A 68 6.161 4.753 8.575 1.00 0.00 SBOX ATOM 1959 N7 GUA A 68 0.086 -0.289 -3.564 1.00 0.00 SBOX N ATOM 1960 C5 GUA A 68 1.064 -1.409 1.795 1.00 0.00 SBOX C ATOM 1961 C6 GUA A 68 -4.822 -1.541 0.354 1.00 0.00 SBOX C ATOM 1962 O6 GUA A 68 -4.469 -5.688 -0.583 1.00 0.00 SBOX O ATOM 1963 N1 GUA A 68 -10.468 -0.331 -0.073 1.00 0.00 SBOX N ATOM 1964 H1 GUA A 68 28.341 -14.613 -14.451 1.00 0.00 SBOX ATOM 1965 C2 GUA A 68 -3.797 -6.167 -5.476 1.00 0.00 SBOX C ATOM 1966 N2 GUA A 68 0.978 -4.987 -2.886 1.00 0.00 SBOX N ATOM 1967 H21 GUA A 68 -13.393 -18.487 35.995 1.00 0.00 SBOX ATOM 1968 H22 GUA A 68 6.624 -0.071 -0.991 1.00 0.00 SBOX ATOM 1969 N3 GUA A 68 -0.646 -3.770 -2.636 1.00 0.00 SBOX N ATOM 1970 C4 GUA A 68 -3.200 -6.174 -6.142 1.00 0.00 SBOX C ATOM 1971 C3' GUA A 68 -0.648 2.804 5.732 1.00 0.00 SBOX C ATOM 1972 H3' GUA A 68 -20.949 17.145 -43.733 1.00 0.00 SBOX ATOM 1973 C2' GUA A 68 -1.327 -3.043 4.108 1.00 0.00 SBOX C ATOM 1974 H2'' GUA A 68 -11.608 -3.582 7.157 1.00 0.00 SBOX ATOM 1975 O2' GUA A 68 2.226 1.505 3.326 1.00 0.00 SBOX O ATOM 1976 H2' GUA A 68 -10.009 -7.837 -13.662 1.00 0.00 SBOX ATOM 1977 O3' GUA A 68 -4.006 4.758 -4.805 1.00 0.00 SBOX O ATOM 1978 P CYT A 69 4.099 -6.448 1.998 1.00 0.00 SBOX P ATOM 1979 O1P CYT A 69 -8.485 2.061 -4.562 1.00 0.00 SBOX ATOM 1980 O2P CYT A 69 -3.137 -0.610 -4.398 1.00 0.00 SBOX ATOM 1981 O5' CYT A 69 -1.771 7.753 0.746 1.00 0.00 SBOX O ATOM 1982 C5' CYT A 69 1.189 4.725 -1.842 1.00 0.00 SBOX C ATOM 1983 H5' CYT A 69 -17.635 14.305 10.513 1.00 0.00 SBOX ATOM 1984 H5'' CYT A 69 -9.826 -6.141 20.731 1.00 0.00 SBOX ATOM 1985 C4' CYT A 69 2.559 -4.359 1.104 1.00 0.00 SBOX C ATOM 1986 H4' CYT A 69 7.165 0.552 -2.952 1.00 0.00 SBOX ATOM 1987 O4' CYT A 69 0.716 3.853 -0.113 1.00 0.00 SBOX O ATOM 1988 C1' CYT A 69 -1.740 4.109 3.521 1.00 0.00 SBOX C ATOM 1989 H1' CYT A 69 7.014 2.897 5.132 1.00 0.00 SBOX ATOM 1990 N1 CYT A 69 2.929 -6.459 2.125 1.00 0.00 SBOX N ATOM 1991 C6 CYT A 69 5.070 -6.749 -2.080 1.00 0.00 SBOX C ATOM 1992 H6 CYT A 69 0.685 26.312 -2.408 1.00 0.00 SBOX ATOM 1993 C5 CYT A 69 0.337 3.545 5.847 1.00 0.00 SBOX C ATOM 1994 H5 CYT A 69 -27.583 -9.999 -6.375 1.00 0.00 SBOX ATOM 1995 C4 CYT A 69 -2.483 -5.286 -0.132 1.00 0.00 SBOX C ATOM 1996 N4 CYT A 69 -0.522 -0.466 1.412 1.00 0.00 SBOX N ATOM 1997 H41 CYT A 69 2.925 -22.704 -1.180 1.00 0.00 SBOX ATOM 1998 H42 CYT A 69 -23.672 -12.639 -8.088 1.00 0.00 SBOX ATOM 1999 N3 CYT A 69 1.516 -3.581 -2.750 1.00 0.00 SBOX N ATOM 2000 C2 CYT A 69 -9.475 6.355 4.668 1.00 0.00 SBOX C ATOM 2001 O2 CYT A 69 -0.377 8.761 -4.979 1.00 0.00 SBOX O ATOM 2002 C3' CYT A 69 3.648 -2.250 -4.649 1.00 0.00 SBOX C ATOM 2003 H3' CYT A 69 21.116 -22.057 -9.154 1.00 0.00 SBOX ATOM 2004 C2' CYT A 69 -3.864 -2.272 -1.995 1.00 0.00 SBOX C ATOM 2005 H2'' CYT A 69 -5.972 3.562 -5.258 1.00 0.00 SBOX ATOM 2006 O2' CYT A 69 -4.699 1.725 -3.288 1.00 0.00 SBOX O ATOM 2007 H2' CYT A 69 1.571 0.703 4.707 1.00 0.00 SBOX ATOM 2008 O3' CYT A 69 0.021 1.398 1.501 1.00 0.00 SBOX O ATOM 2009 P ADE A 70 -0.003 -0.671 0.021 1.00 0.00 SBOX P ATOM 2010 O1P ADE A 70 10.921 3.403 3.565 1.00 0.00 SBOX ATOM 2011 O2P ADE A 70 -11.564 8.020 -0.242 1.00 0.00 SBOX ATOM 2012 O5' ADE A 70 4.785 1.952 0.174 1.00 0.00 SBOX O ATOM 2013 C5' ADE A 70 -10.958 4.483 5.423 1.00 0.00 SBOX C ATOM 2014 H5' ADE A 70 7.204 -0.066 -13.294 1.00 0.00 SBOX ATOM 2015 H5'' ADE A 70 -13.931 2.960 0.012 1.00 0.00 SBOX ATOM 2016 C4' ADE A 70 -1.481 -0.732 0.332 1.00 0.00 SBOX C ATOM 2017 H4' ADE A 70 12.124 -11.465 -5.011 1.00 0.00 SBOX ATOM 2018 O4' ADE A 70 8.220 4.588 -4.160 1.00 0.00 SBOX O ATOM 2019 C1' ADE A 70 1.311 -0.009 4.153 1.00 0.00 SBOX C ATOM 2020 H1' ADE A 70 -1.010 1.731 1.446 1.00 0.00 SBOX ATOM 2021 N9 ADE A 70 -2.436 3.206 -2.128 1.00 0.00 SBOX N ATOM 2022 C8 ADE A 70 -4.420 1.607 2.026 1.00 0.00 SBOX C ATOM 2023 H8 ADE A 70 7.069 23.313 18.080 1.00 0.00 SBOX ATOM 2024 N7 ADE A 70 -0.004 -4.010 3.629 1.00 0.00 SBOX N ATOM 2025 C5 ADE A 70 -3.819 -10.421 0.253 1.00 0.00 SBOX C ATOM 2026 C6 ADE A 70 1.928 -6.161 -1.900 1.00 0.00 SBOX C ATOM 2027 N6 ADE A 70 1.663 -0.036 -1.559 1.00 0.00 SBOX N ATOM 2028 H61 ADE A 70 -1.840 -7.808 -15.801 1.00 0.00 SBOX ATOM 2029 H62 ADE A 70 10.600 10.104 5.241 1.00 0.00 SBOX ATOM 2030 N1 ADE A 70 -4.691 2.389 4.519 1.00 0.00 SBOX N ATOM 2031 C2 ADE A 70 -3.621 2.051 4.545 1.00 0.00 SBOX C ATOM 2032 H2 ADE A 70 -10.811 0.729 -3.540 1.00 0.00 SBOX ATOM 2033 N3 ADE A 70 4.491 1.388 2.390 1.00 0.00 SBOX N ATOM 2034 C4 ADE A 70 -4.427 -1.837 3.487 1.00 0.00 SBOX C ATOM 2035 C3' ADE A 70 3.150 5.458 4.077 1.00 0.00 SBOX C ATOM 2036 H3' ADE A 70 -1.573 26.494 8.606 1.00 0.00 SBOX ATOM 2037 C2' ADE A 70 -3.440 -2.414 0.171 1.00 0.00 SBOX C ATOM 2038 H2'' ADE A 70 -8.773 -33.769 18.033 1.00 0.00 SBOX ATOM 2039 O2' ADE A 70 4.124 -1.447 -0.487 1.00 0.00 SBOX O ATOM 2040 H2' ADE A 70 6.959 12.532 8.505 1.00 0.00 SBOX ATOM 2041 O3' ADE A 70 4.135 1.740 2.577 1.00 0.00 SBOX O ATOM 2042 P GUA A 71 -0.608 0.253 2.484 1.00 0.00 SBOX P ATOM 2043 O1P GUA A 71 2.936 -1.522 1.879 1.00 0.00 SBOX ATOM 2044 O2P GUA A 71 1.235 1.318 3.685 1.00 0.00 SBOX ATOM 2045 O5' GUA A 71 -3.450 -3.515 -4.691 1.00 0.00 SBOX O ATOM 2046 C5' GUA A 71 5.528 -5.552 0.661 1.00 0.00 SBOX C ATOM 2047 H5' GUA A 71 9.610 25.536 -8.451 1.00 0.00 SBOX ATOM 2048 H5'' GUA A 71 -4.390 -2.528 -9.088 1.00 0.00 SBOX ATOM 2049 C4' GUA A 71 1.716 1.415 -0.259 1.00 0.00 SBOX C ATOM 2050 H4' GUA A 71 -3.873 -2.625 -2.352 1.00 0.00 SBOX ATOM 2051 O4' GUA A 71 0.381 -2.041 2.292 1.00 0.00 SBOX O ATOM 2052 C1' GUA A 71 -5.625 -4.814 2.658 1.00 0.00 SBOX C ATOM 2053 H1' GUA A 71 13.193 11.648 -2.262 1.00 0.00 SBOX ATOM 2054 N9 GUA A 71 -0.589 -7.759 8.226 1.00 0.00 SBOX N ATOM 2055 C8 GUA A 71 -3.673 -6.977 -7.849 1.00 0.00 SBOX C ATOM 2056 H8 GUA A 71 13.539 24.928 -0.304 1.00 0.00 SBOX ATOM 2057 N7 GUA A 71 -4.768 -5.740 -7.802 1.00 0.00 SBOX N ATOM 2058 C5 GUA A 71 7.165 -2.421 -12.619 1.00 0.00 SBOX C ATOM 2059 C6 GUA A 71 6.228 -0.180 -1.885 1.00 0.00 SBOX C ATOM 2060 O6 GUA A 71 -4.242 1.440 4.751 1.00 0.00 SBOX O ATOM 2061 N1 GUA A 71 1.065 -2.162 -8.094 1.00 0.00 SBOX N ATOM 2062 H1 GUA A 71 -7.531 -23.538 -16.463 1.00 0.00 SBOX ATOM 2063 C2 GUA A 71 -1.315 1.527 -5.718 1.00 0.00 SBOX C ATOM 2064 N2 GUA A 71 -1.505 -6.538 -0.847 1.00 0.00 SBOX N ATOM 2065 H21 GUA A 71 26.792 20.330 -2.533 1.00 0.00 SBOX ATOM 2066 H22 GUA A 71 -17.192 1.678 -5.276 1.00 0.00 SBOX ATOM 2067 N3 GUA A 71 4.089 -1.333 5.429 1.00 0.00 SBOX N ATOM 2068 C4 GUA A 71 0.399 -5.070 -4.215 1.00 0.00 SBOX C ATOM 2069 C3' GUA A 71 -0.082 -7.294 1.251 1.00 0.00 SBOX C ATOM 2070 H3' GUA A 71 12.389 -16.898 7.396 1.00 0.00 SBOX ATOM 2071 C2' GUA A 71 1.453 -2.160 -5.155 1.00 0.00 SBOX C ATOM 2072 H2'' GUA A 71 -13.572 -4.025 6.499 1.00 0.00 SBOX ATOM 2073 O2' GUA A 71 1.755 -2.907 -0.088 1.00 0.00 SBOX O ATOM 2074 H2' GUA A 71 -21.567 -0.554 2.811 1.00 0.00 SBOX ATOM 2075 O3' GUA A 71 1.691 -0.160 0.922 1.00 0.00 SBOX O ATOM 2076 P CYT A 72 3.382 -1.976 -4.284 1.00 0.00 SBOX P ATOM 2077 O1P CYT A 72 -4.910 -6.236 -1.688 1.00 0.00 SBOX ATOM 2078 O2P CYT A 72 0.781 2.281 2.147 1.00 0.00 SBOX ATOM 2079 O5' CYT A 72 -6.067 3.108 2.406 1.00 0.00 SBOX O ATOM 2080 C5' CYT A 72 0.876 10.350 1.058 1.00 0.00 SBOX C ATOM 2081 H5' CYT A 72 2.378 13.020 -0.333 1.00 0.00 SBOX ATOM 2082 H5'' CYT A 72 -11.182 14.924 -4.161 1.00 0.00 SBOX ATOM 2083 C4' CYT A 72 -2.235 -10.463 -1.862 1.00 0.00 SBOX C ATOM 2084 H4' CYT A 72 -8.265 -15.235 -11.526 1.00 0.00 SBOX ATOM 2085 O4' CYT A 72 4.182 -1.511 0.751 1.00 0.00 SBOX O ATOM 2086 C1' CYT A 72 0.442 -7.645 6.798 1.00 0.00 SBOX C ATOM 2087 H1' CYT A 72 -10.081 -8.633 -22.532 1.00 0.00 SBOX ATOM 2088 N1 CYT A 72 -3.732 -0.050 -0.304 1.00 0.00 SBOX N ATOM 2089 C6 CYT A 72 -4.705 0.557 1.873 1.00 0.00 SBOX C ATOM 2090 H6 CYT A 72 6.499 -7.413 -10.028 1.00 0.00 SBOX ATOM 2091 C5 CYT A 72 -7.113 2.743 -2.468 1.00 0.00 SBOX C ATOM 2092 H5 CYT A 72 -8.210 1.799 -10.024 1.00 0.00 SBOX ATOM 2093 C4 CYT A 72 0.387 -1.047 13.103 1.00 0.00 SBOX C ATOM 2094 N4 CYT A 72 -2.684 -3.463 -1.500 1.00 0.00 SBOX N ATOM 2095 H41 CYT A 72 9.571 -4.582 -6.424 1.00 0.00 SBOX ATOM 2096 H42 CYT A 72 4.375 17.510 13.027 1.00 0.00 SBOX ATOM 2097 N3 CYT A 72 -6.106 -0.561 -6.110 1.00 0.00 SBOX N ATOM 2098 C2 CYT A 72 1.238 -4.156 -5.492 1.00 0.00 SBOX C ATOM 2099 O2 CYT A 72 -8.569 0.771 2.976 1.00 0.00 SBOX O ATOM 2100 C3' CYT A 72 2.290 -2.507 1.095 1.00 0.00 SBOX C ATOM 2101 H3' CYT A 72 13.342 -0.456 18.556 1.00 0.00 SBOX ATOM 2102 C2' CYT A 72 -2.387 1.717 -1.028 1.00 0.00 SBOX C ATOM 2103 H2'' CYT A 72 -2.666 -33.256 1.443 1.00 0.00 SBOX ATOM 2104 O2' CYT A 72 0.925 -0.842 3.959 1.00 0.00 SBOX O ATOM 2105 H2' CYT A 72 -28.471 -39.676 -6.907 1.00 0.00 SBOX ATOM 2106 O3' CYT A 72 3.382 1.249 -6.454 1.00 0.00 SBOX O ATOM 2107 P GUA A 73 1.542 2.573 -3.595 1.00 0.00 SBOX P ATOM 2108 O1P GUA A 73 -2.981 -3.044 -4.549 1.00 0.00 SBOX ATOM 2109 O2P GUA A 73 8.927 8.695 8.422 1.00 0.00 SBOX ATOM 2110 O5' GUA A 73 4.661 9.682 3.487 1.00 0.00 SBOX O ATOM 2111 C5' GUA A 73 -2.345 4.566 -1.977 1.00 0.00 SBOX C ATOM 2112 H5' GUA A 73 -41.415 4.218 -22.223 1.00 0.00 SBOX ATOM 2113 H5'' GUA A 73 -9.946 7.783 -10.121 1.00 0.00 SBOX ATOM 2114 C4' GUA A 73 -0.672 6.324 4.348 1.00 0.00 SBOX C ATOM 2115 H4' GUA A 73 -0.915 1.595 2.978 1.00 0.00 SBOX ATOM 2116 O4' GUA A 73 -0.060 2.239 -5.603 1.00 0.00 SBOX O ATOM 2117 C1' GUA A 73 3.250 -1.147 8.803 1.00 0.00 SBOX C ATOM 2118 H1' GUA A 73 13.092 9.198 29.720 1.00 0.00 SBOX ATOM 2119 N9 GUA A 73 -3.634 8.698 0.572 1.00 0.00 SBOX N ATOM 2120 C8 GUA A 73 -1.976 5.928 2.365 1.00 0.00 SBOX C ATOM 2121 H8 GUA A 73 -12.679 3.336 -2.491 1.00 0.00 SBOX ATOM 2122 N7 GUA A 73 -4.003 -0.742 -5.169 1.00 0.00 SBOX N ATOM 2123 C5 GUA A 73 -0.592 10.341 -0.144 1.00 0.00 SBOX C ATOM 2124 C6 GUA A 73 6.359 -6.345 -3.952 1.00 0.00 SBOX C ATOM 2125 O6 GUA A 73 -1.212 5.387 -2.157 1.00 0.00 SBOX O ATOM 2126 N1 GUA A 73 2.767 -1.452 3.358 1.00 0.00 SBOX N ATOM 2127 H1 GUA A 73 2.359 -4.673 -1.086 1.00 0.00 SBOX ATOM 2128 C2 GUA A 73 7.154 -4.350 -1.150 1.00 0.00 SBOX C ATOM 2129 N2 GUA A 73 3.227 -7.508 -3.487 1.00 0.00 SBOX N ATOM 2130 H21 GUA A 73 18.397 -16.036 0.799 1.00 0.00 SBOX ATOM 2131 H22 GUA A 73 -0.492 9.856 -18.268 1.00 0.00 SBOX ATOM 2132 N3 GUA A 73 -0.212 -2.399 -4.795 1.00 0.00 SBOX N ATOM 2133 C4 GUA A 73 2.302 0.190 1.127 1.00 0.00 SBOX C ATOM 2134 C3' GUA A 73 -5.736 -5.913 -8.740 1.00 0.00 SBOX C ATOM 2135 H3' GUA A 73 -1.226 7.426 -3.408 1.00 0.00 SBOX ATOM 2136 C2' GUA A 73 -2.389 1.809 2.422 1.00 0.00 SBOX C ATOM 2137 H2'' GUA A 73 4.125 -7.338 7.269 1.00 0.00 SBOX ATOM 2138 O2' GUA A 73 4.996 2.521 -1.064 1.00 0.00 SBOX O ATOM 2139 H2' GUA A 73 12.358 1.425 5.047 1.00 0.00 SBOX ATOM 2140 O3' GUA A 73 -8.603 3.988 4.825 1.00 0.00 SBOX O ATOM 2141 P GUA A 74 0.519 -2.441 -1.963 1.00 0.00 SBOX P ATOM 2142 O1P GUA A 74 0.001 -0.300 2.256 1.00 0.00 SBOX ATOM 2143 O2P GUA A 74 -1.085 -0.931 -3.526 1.00 0.00 SBOX ATOM 2144 O5' GUA A 74 0.103 4.761 3.831 1.00 0.00 SBOX O ATOM 2145 C5' GUA A 74 -3.956 10.795 2.045 1.00 0.00 SBOX C ATOM 2146 H5' GUA A 74 0.803 -0.975 0.487 1.00 0.00 SBOX ATOM 2147 H5'' GUA A 74 -2.212 12.949 -10.911 1.00 0.00 SBOX ATOM 2148 C4' GUA A 74 0.996 2.081 -0.016 1.00 0.00 SBOX C ATOM 2149 H4' GUA A 74 0.378 0.392 1.224 1.00 0.00 SBOX ATOM 2150 O4' GUA A 74 2.715 -2.494 -3.158 1.00 0.00 SBOX O ATOM 2151 C1' GUA A 74 -0.772 -0.578 1.228 1.00 0.00 SBOX C ATOM 2152 H1' GUA A 74 -4.497 5.835 5.069 1.00 0.00 SBOX ATOM 2153 N9 GUA A 74 1.514 2.544 -1.751 1.00 0.00 SBOX N ATOM 2154 C8 GUA A 74 5.366 -4.634 3.196 1.00 0.00 SBOX C ATOM 2155 H8 GUA A 74 4.924 1.340 11.230 1.00 0.00 SBOX ATOM 2156 N7 GUA A 74 4.165 7.267 4.745 1.00 0.00 SBOX N ATOM 2157 C5 GUA A 74 -1.336 2.055 2.334 1.00 0.00 SBOX C ATOM 2158 C6 GUA A 74 -3.545 5.845 1.937 1.00 0.00 SBOX C ATOM 2159 O6 GUA A 74 0.554 -7.000 -8.850 1.00 0.00 SBOX O ATOM 2160 N1 GUA A 74 -8.649 1.760 -1.426 1.00 0.00 SBOX N ATOM 2161 H1 GUA A 74 -4.076 9.420 18.339 1.00 0.00 SBOX ATOM 2162 C2 GUA A 74 1.860 5.430 3.905 1.00 0.00 SBOX C ATOM 2163 N2 GUA A 74 -1.524 -1.422 0.511 1.00 0.00 SBOX N ATOM 2164 H21 GUA A 74 -0.854 -3.335 16.505 1.00 0.00 SBOX ATOM 2165 H22 GUA A 74 0.805 33.552 5.668 1.00 0.00 SBOX ATOM 2166 N3 GUA A 74 -6.687 -6.941 6.370 1.00 0.00 SBOX N ATOM 2167 C4 GUA A 74 0.487 -1.085 4.813 1.00 0.00 SBOX C ATOM 2168 C3' GUA A 74 -2.073 -6.375 2.479 1.00 0.00 SBOX C ATOM 2169 H3' GUA A 74 -12.684 5.998 14.033 1.00 0.00 SBOX ATOM 2170 C2' GUA A 74 -3.437 -13.806 0.563 1.00 0.00 SBOX C ATOM 2171 H2'' GUA A 74 -5.271 -16.865 -0.563 1.00 0.00 SBOX ATOM 2172 O2' GUA A 74 4.381 4.561 2.440 1.00 0.00 SBOX O ATOM 2173 H2' GUA A 74 -4.084 5.040 -7.646 1.00 0.00 SBOX ATOM 2174 O3' GUA A 74 -1.345 -7.303 0.513 1.00 0.00 SBOX O ATOM 2175 P ADE A 75 0.353 -2.072 -2.300 1.00 0.00 SBOX P ATOM 2176 O1P ADE A 75 1.121 0.698 4.973 1.00 0.00 SBOX ATOM 2177 O2P ADE A 75 -0.401 1.395 -2.283 1.00 0.00 SBOX ATOM 2178 O5' ADE A 75 6.451 1.578 10.263 1.00 0.00 SBOX O ATOM 2179 C5' ADE A 75 -12.614 1.114 -2.474 1.00 0.00 SBOX C ATOM 2180 H5' ADE A 75 30.407 -5.405 -23.628 1.00 0.00 SBOX ATOM 2181 H5'' ADE A 75 9.936 2.705 -16.476 1.00 0.00 SBOX ATOM 2182 C4' ADE A 75 -0.119 4.269 -7.956 1.00 0.00 SBOX C ATOM 2183 H4' ADE A 75 7.324 17.134 -0.604 1.00 0.00 SBOX ATOM 2184 O4' ADE A 75 -3.270 3.612 -0.939 1.00 0.00 SBOX O ATOM 2185 C1' ADE A 75 -3.370 -3.152 0.392 1.00 0.00 SBOX C ATOM 2186 H1' ADE A 75 29.626 -24.060 32.126 1.00 0.00 SBOX ATOM 2187 N9 ADE A 75 -0.492 -0.803 -0.614 1.00 0.00 SBOX N ATOM 2188 C8 ADE A 75 -4.531 -1.103 -6.434 1.00 0.00 SBOX C ATOM 2189 H8 ADE A 75 11.484 4.181 1.292 1.00 0.00 SBOX ATOM 2190 N7 ADE A 75 -3.528 -6.095 0.686 1.00 0.00 SBOX N ATOM 2191 C5 ADE A 75 2.409 -3.478 6.528 1.00 0.00 SBOX C ATOM 2192 C6 ADE A 75 3.230 9.040 0.895 1.00 0.00 SBOX C ATOM 2193 N6 ADE A 75 -4.105 4.973 -1.776 1.00 0.00 SBOX N ATOM 2194 H61 ADE A 75 26.781 -1.983 -10.840 1.00 0.00 SBOX ATOM 2195 H62 ADE A 75 0.554 -1.529 0.873 1.00 0.00 SBOX ATOM 2196 N1 ADE A 75 -0.853 4.227 1.014 1.00 0.00 SBOX N ATOM 2197 C2 ADE A 75 7.489 -6.792 3.244 1.00 0.00 SBOX C ATOM 2198 H2 ADE A 75 10.637 4.746 11.665 1.00 0.00 SBOX ATOM 2199 N3 ADE A 75 0.304 -2.158 7.096 1.00 0.00 SBOX N ATOM 2200 C4 ADE A 75 0.454 0.239 -6.281 1.00 0.00 SBOX C ATOM 2201 C3' ADE A 75 -2.522 1.551 -8.143 1.00 0.00 SBOX C ATOM 2202 H3' ADE A 75 -21.760 -16.941 -15.705 1.00 0.00 SBOX ATOM 2203 C2' ADE A 75 0.956 1.825 3.591 1.00 0.00 SBOX C ATOM 2204 H2'' ADE A 75 4.755 3.340 4.486 1.00 0.00 SBOX ATOM 2205 O2' ADE A 75 -1.587 -2.634 -0.713 1.00 0.00 SBOX O ATOM 2206 H2' ADE A 75 8.452 -4.612 -10.415 1.00 0.00 SBOX ATOM 2207 O3' ADE A 75 1.672 0.216 6.082 1.00 0.00 SBOX O ATOM 2208 P ADE A 76 3.506 -0.764 -2.443 1.00 0.00 SBOX P ATOM 2209 O1P ADE A 76 -6.029 -9.072 0.458 1.00 0.00 SBOX ATOM 2210 O2P ADE A 76 -2.825 2.781 2.880 1.00 0.00 SBOX ATOM 2211 O5' ADE A 76 0.373 5.362 3.428 1.00 0.00 SBOX O ATOM 2212 C5' ADE A 76 7.184 -4.016 -2.524 1.00 0.00 SBOX C ATOM 2213 H5' ADE A 76 -13.300 -8.478 5.215 1.00 0.00 SBOX ATOM 2214 H5'' ADE A 76 -7.523 15.225 17.872 1.00 0.00 SBOX ATOM 2215 C4' ADE A 76 7.344 3.066 -6.864 1.00 0.00 SBOX C ATOM 2216 H4' ADE A 76 -10.204 30.956 -33.629 1.00 0.00 SBOX ATOM 2217 O4' ADE A 76 1.618 6.414 4.176 1.00 0.00 SBOX O ATOM 2218 C1' ADE A 76 6.008 -1.460 -3.322 1.00 0.00 SBOX C ATOM 2219 H1' ADE A 76 -17.307 -4.949 -0.648 1.00 0.00 SBOX ATOM 2220 N9 ADE A 76 0.357 0.821 0.094 1.00 0.00 SBOX N ATOM 2221 C8 ADE A 76 -5.739 -5.098 -6.740 1.00 0.00 SBOX C ATOM 2222 H8 ADE A 76 -6.608 -20.935 -14.880 1.00 0.00 SBOX ATOM 2223 N7 ADE A 76 2.508 4.493 10.229 1.00 0.00 SBOX N ATOM 2224 C5 ADE A 76 -3.060 -2.800 -7.525 1.00 0.00 SBOX C ATOM 2225 C6 ADE A 76 -0.115 5.925 -5.966 1.00 0.00 SBOX C ATOM 2226 N6 ADE A 76 -0.457 2.682 -2.354 1.00 0.00 SBOX N ATOM 2227 H61 ADE A 76 6.147 -3.952 -20.315 1.00 0.00 SBOX ATOM 2228 H62 ADE A 76 -21.677 18.784 1.389 1.00 0.00 SBOX ATOM 2229 N1 ADE A 76 0.552 5.096 2.336 1.00 0.00 SBOX N ATOM 2230 C2 ADE A 76 -7.677 -2.816 -17.456 1.00 0.00 SBOX C ATOM 2231 H2 ADE A 76 11.763 7.495 -12.054 1.00 0.00 SBOX ATOM 2232 N3 ADE A 76 -1.955 -0.230 -1.692 1.00 0.00 SBOX N ATOM 2233 C4 ADE A 76 6.480 1.681 -5.108 1.00 0.00 SBOX C ATOM 2234 C3' ADE A 76 7.070 -2.715 4.351 1.00 0.00 SBOX C ATOM 2235 H3' ADE A 76 -10.709 18.415 -2.767 1.00 0.00 SBOX ATOM 2236 C2' ADE A 76 2.032 -0.847 -6.619 1.00 0.00 SBOX C ATOM 2237 H2'' ADE A 76 8.471 8.074 -12.798 1.00 0.00 SBOX ATOM 2238 O2' ADE A 76 -2.068 1.900 -0.640 1.00 0.00 SBOX O ATOM 2239 H2' ADE A 76 -16.918 9.164 13.046 1.00 0.00 SBOX ATOM 2240 O3' ADE A 76 -0.775 0.783 2.846 1.00 0.00 SBOX O ATOM 2241 P ADE A 77 -5.340 0.276 0.353 1.00 0.00 SBOX P ATOM 2242 O1P ADE A 77 6.179 -1.193 -3.148 1.00 0.00 SBOX ATOM 2243 O2P ADE A 77 2.799 0.630 -3.361 1.00 0.00 SBOX ATOM 2244 O5' ADE A 77 -5.902 -1.240 -4.966 1.00 0.00 SBOX O ATOM 2245 C5' ADE A 77 -2.706 1.692 2.209 1.00 0.00 SBOX C ATOM 2246 H5' ADE A 77 24.077 40.208 -9.847 1.00 0.00 SBOX ATOM 2247 H5'' ADE A 77 1.099 -23.093 49.029 1.00 0.00 SBOX ATOM 2248 C4' ADE A 77 0.233 -5.791 -1.755 1.00 0.00 SBOX C ATOM 2249 H4' ADE A 77 0.705 -3.357 -0.503 1.00 0.00 SBOX ATOM 2250 O4' ADE A 77 2.694 -2.730 1.415 1.00 0.00 SBOX O ATOM 2251 C1' ADE A 77 -2.031 1.834 5.314 1.00 0.00 SBOX C ATOM 2252 H1' ADE A 77 25.269 -17.923 -2.938 1.00 0.00 SBOX ATOM 2253 N9 ADE A 77 -5.836 3.292 4.284 1.00 0.00 SBOX N ATOM 2254 C8 ADE A 77 -1.584 -4.144 -0.228 1.00 0.00 SBOX C ATOM 2255 H8 ADE A 77 -4.020 -4.080 6.470 1.00 0.00 SBOX ATOM 2256 N7 ADE A 77 -2.556 2.055 2.743 1.00 0.00 SBOX N ATOM 2257 C5 ADE A 77 -3.454 -0.428 -8.269 1.00 0.00 SBOX C ATOM 2258 C6 ADE A 77 0.610 -4.559 0.435 1.00 0.00 SBOX C ATOM 2259 N6 ADE A 77 -0.674 2.973 9.552 1.00 0.00 SBOX N ATOM 2260 H61 ADE A 77 -3.385 -7.162 36.557 1.00 0.00 SBOX ATOM 2261 H62 ADE A 77 -6.925 13.341 24.409 1.00 0.00 SBOX ATOM 2262 N1 ADE A 77 -0.671 0.916 6.927 1.00 0.00 SBOX N ATOM 2263 C2 ADE A 77 -2.726 -5.242 -7.672 1.00 0.00 SBOX C ATOM 2264 H2 ADE A 77 18.471 4.208 -21.526 1.00 0.00 SBOX ATOM 2265 N3 ADE A 77 0.497 -1.031 -0.487 1.00 0.00 SBOX N ATOM 2266 C4 ADE A 77 -1.346 -3.107 1.869 1.00 0.00 SBOX C ATOM 2267 C3' ADE A 77 4.984 -8.595 2.932 1.00 0.00 SBOX C ATOM 2268 H3' ADE A 77 -10.303 -19.889 -4.324 1.00 0.00 SBOX ATOM 2269 C2' ADE A 77 2.988 -1.669 -4.995 1.00 0.00 SBOX C ATOM 2270 H2'' ADE A 77 3.127 -8.036 2.660 1.00 0.00 SBOX ATOM 2271 O2' ADE A 77 5.074 -4.327 -4.797 1.00 0.00 SBOX O ATOM 2272 H2' ADE A 77 12.487 -0.117 -22.644 1.00 0.00 SBOX ATOM 2273 O3' ADE A 77 -3.447 -3.611 1.079 1.00 0.00 SBOX O ATOM 2274 P CYT A 78 2.250 -2.601 3.167 1.00 0.00 SBOX P ATOM 2275 O1P CYT A 78 -8.417 -0.172 7.645 1.00 0.00 SBOX ATOM 2276 O2P CYT A 78 0.230 -2.248 4.198 1.00 0.00 SBOX ATOM 2277 O5' CYT A 78 3.220 -6.570 -6.030 1.00 0.00 SBOX O ATOM 2278 C5' CYT A 78 0.687 0.076 -5.598 1.00 0.00 SBOX C ATOM 2279 H5' CYT A 78 25.038 0.485 -6.309 1.00 0.00 SBOX ATOM 2280 H5'' CYT A 78 13.686 0.522 1.818 1.00 0.00 SBOX ATOM 2281 C4' CYT A 78 7.450 -5.794 -3.037 1.00 0.00 SBOX C ATOM 2282 H4' CYT A 78 -0.785 -10.543 5.927 1.00 0.00 SBOX ATOM 2283 O4' CYT A 78 -0.891 -0.018 -0.653 1.00 0.00 SBOX O ATOM 2284 C1' CYT A 78 2.135 1.143 -1.069 1.00 0.00 SBOX C ATOM 2285 H1' CYT A 78 10.903 -7.027 -11.557 1.00 0.00 SBOX ATOM 2286 N1 CYT A 78 2.542 4.286 2.432 1.00 0.00 SBOX N ATOM 2287 C6 CYT A 78 1.992 1.390 8.514 1.00 0.00 SBOX C ATOM 2288 H6 CYT A 78 -0.961 15.838 29.319 1.00 0.00 SBOX ATOM 2289 C5 CYT A 78 0.832 -3.285 -1.738 1.00 0.00 SBOX C ATOM 2290 H5 CYT A 78 -2.539 -5.393 25.608 1.00 0.00 SBOX ATOM 2291 C4 CYT A 78 -0.421 -1.633 -0.423 1.00 0.00 SBOX C ATOM 2292 N4 CYT A 78 4.732 -3.067 -1.471 1.00 0.00 SBOX N ATOM 2293 H41 CYT A 78 15.303 -0.310 7.750 1.00 0.00 SBOX ATOM 2294 H42 CYT A 78 5.291 -3.669 9.244 1.00 0.00 SBOX ATOM 2295 N3 CYT A 78 -0.280 -2.994 -0.204 1.00 0.00 SBOX N ATOM 2296 C2 CYT A 78 -2.676 2.583 -5.519 1.00 0.00 SBOX C ATOM 2297 O2 CYT A 78 0.261 3.335 -1.596 1.00 0.00 SBOX O ATOM 2298 C3' CYT A 78 -4.043 -1.495 -5.224 1.00 0.00 SBOX C ATOM 2299 H3' CYT A 78 -0.167 -16.301 -5.676 1.00 0.00 SBOX ATOM 2300 C2' CYT A 78 2.645 8.633 -1.768 1.00 0.00 SBOX C ATOM 2301 H2'' CYT A 78 -2.121 -14.499 -0.149 1.00 0.00 SBOX ATOM 2302 O2' CYT A 78 0.719 -1.562 -2.865 1.00 0.00 SBOX O ATOM 2303 H2' CYT A 78 -16.148 -5.049 -13.945 1.00 0.00 SBOX ATOM 2304 O3' CYT A 78 -4.517 0.883 3.524 1.00 0.00 SBOX O ATOM 2305 P GUA A 79 5.028 0.236 -0.931 1.00 0.00 SBOX P ATOM 2306 O1P GUA A 79 3.452 4.105 5.812 1.00 0.00 SBOX ATOM 2307 O2P GUA A 79 -5.148 -5.862 5.112 1.00 0.00 SBOX ATOM 2308 O5' GUA A 79 1.157 -9.770 2.053 1.00 0.00 SBOX O ATOM 2309 C5' GUA A 79 2.083 3.871 -1.354 1.00 0.00 SBOX C ATOM 2310 H5' GUA A 79 6.495 -22.307 6.244 1.00 0.00 SBOX ATOM 2311 H5'' GUA A 79 -9.716 -2.897 -0.814 1.00 0.00 SBOX ATOM 2312 C4' GUA A 79 -6.768 -1.183 8.067 1.00 0.00 SBOX C ATOM 2313 H4' GUA A 79 -8.634 -20.464 19.670 1.00 0.00 SBOX ATOM 2314 O4' GUA A 79 -1.188 2.473 1.694 1.00 0.00 SBOX O ATOM 2315 C1' GUA A 79 -5.388 0.150 -8.371 1.00 0.00 SBOX C ATOM 2316 H1' GUA A 79 3.198 -4.007 -1.109 1.00 0.00 SBOX ATOM 2317 N9 GUA A 79 -0.471 -6.316 5.907 1.00 0.00 SBOX N ATOM 2318 C8 GUA A 79 -3.595 -2.426 -0.068 1.00 0.00 SBOX C ATOM 2319 H8 GUA A 79 7.171 -4.503 -1.143 1.00 0.00 SBOX ATOM 2320 N7 GUA A 79 -4.184 6.110 4.818 1.00 0.00 SBOX N ATOM 2321 C5 GUA A 79 1.272 -0.882 -7.844 1.00 0.00 SBOX C ATOM 2322 C6 GUA A 79 -11.639 -3.589 4.121 1.00 0.00 SBOX C ATOM 2323 O6 GUA A 79 4.678 8.076 0.957 1.00 0.00 SBOX O ATOM 2324 N1 GUA A 79 1.366 -1.985 2.878 1.00 0.00 SBOX N ATOM 2325 H1 GUA A 79 -1.290 -4.060 3.005 1.00 0.00 SBOX ATOM 2326 C2 GUA A 79 1.616 -5.961 -12.960 1.00 0.00 SBOX C ATOM 2327 N2 GUA A 79 0.197 0.648 -10.435 1.00 0.00 SBOX N ATOM 2328 H21 GUA A 79 15.882 19.338 -11.417 1.00 0.00 SBOX ATOM 2329 H22 GUA A 79 -0.534 -6.643 8.939 1.00 0.00 SBOX ATOM 2330 N3 GUA A 79 0.641 2.519 -4.037 1.00 0.00 SBOX N ATOM 2331 C4 GUA A 79 -1.668 -5.978 3.045 1.00 0.00 SBOX C ATOM 2332 C3' GUA A 79 1.458 3.556 -5.184 1.00 0.00 SBOX C ATOM 2333 H3' GUA A 79 -0.705 -17.617 23.963 1.00 0.00 SBOX ATOM 2334 C2' GUA A 79 -0.869 -8.595 1.041 1.00 0.00 SBOX C ATOM 2335 H2'' GUA A 79 17.614 -8.028 -5.974 1.00 0.00 SBOX ATOM 2336 O2' GUA A 79 6.522 -0.436 -1.620 1.00 0.00 SBOX O ATOM 2337 H2' GUA A 79 -1.781 -4.697 -6.630 1.00 0.00 SBOX ATOM 2338 O3' GUA A 79 -9.154 1.514 0.764 1.00 0.00 SBOX O ATOM 2339 P URA A 80 -3.448 0.046 3.477 1.00 0.00 SBOX P ATOM 2340 O1P URA A 80 6.590 2.607 -1.991 1.00 0.00 SBOX ATOM 2341 O2P URA A 80 4.029 1.225 8.292 1.00 0.00 SBOX ATOM 2342 O5' URA A 80 -6.070 -1.903 2.550 1.00 0.00 SBOX O ATOM 2343 C5' URA A 80 3.289 1.805 -0.883 1.00 0.00 SBOX C ATOM 2344 H5' URA A 80 -0.248 2.539 1.210 1.00 0.00 SBOX ATOM 2345 H5'' URA A 80 12.051 7.736 4.794 1.00 0.00 SBOX ATOM 2346 C4' URA A 80 0.356 -0.233 0.421 1.00 0.00 SBOX C ATOM 2347 H4' URA A 80 12.167 -10.300 11.931 1.00 0.00 SBOX ATOM 2348 O4' URA A 80 0.639 -2.864 -2.611 1.00 0.00 SBOX O ATOM 2349 C1' URA A 80 4.820 1.203 -5.027 1.00 0.00 SBOX C ATOM 2350 H1' URA A 80 1.177 4.269 4.068 1.00 0.00 SBOX ATOM 2351 N1 URA A 80 -0.663 -1.061 -4.221 1.00 0.00 SBOX N ATOM 2352 C6 URA A 80 6.438 2.625 -0.655 1.00 0.00 SBOX C ATOM 2353 H6 URA A 80 12.354 8.568 1.663 1.00 0.00 SBOX ATOM 2354 C5 URA A 80 4.555 0.162 3.087 1.00 0.00 SBOX C ATOM 2355 H5 URA A 80 17.679 3.704 21.539 1.00 0.00 SBOX ATOM 2356 C4 URA A 80 6.953 1.419 7.065 1.00 0.00 SBOX C ATOM 2357 O4 URA A 80 1.381 -4.098 3.403 1.00 0.00 SBOX O ATOM 2358 N3 URA A 80 0.733 0.969 2.650 1.00 0.00 SBOX N ATOM 2359 H3 URA A 80 3.243 -1.808 -16.629 1.00 0.00 SBOX ATOM 2360 C2 URA A 80 -4.972 -1.958 2.014 1.00 0.00 SBOX C ATOM 2361 O2 URA A 80 -2.323 0.207 -2.643 1.00 0.00 SBOX O ATOM 2362 C3' URA A 80 1.053 -3.034 1.422 1.00 0.00 SBOX C ATOM 2363 H3' URA A 80 21.949 -18.741 16.775 1.00 0.00 SBOX ATOM 2364 C2' URA A 80 -0.030 -3.151 -2.050 1.00 0.00 SBOX C ATOM 2365 H2'' URA A 80 -13.836 -8.742 21.431 1.00 0.00 SBOX ATOM 2366 O2' URA A 80 -1.317 -0.768 -3.690 1.00 0.00 SBOX O ATOM 2367 H2' URA A 80 -3.199 0.572 2.376 1.00 0.00 SBOX ATOM 2368 O3' URA A 80 5.389 -3.453 7.028 1.00 0.00 SBOX O ATOM 2369 P URA A 81 -4.058 1.029 -5.745 1.00 0.00 SBOX P ATOM 2370 O1P URA A 81 3.552 -5.373 3.294 1.00 0.00 SBOX ATOM 2371 O2P URA A 81 -5.212 3.378 2.185 1.00 0.00 SBOX ATOM 2372 O5' URA A 81 -1.157 0.318 3.170 1.00 0.00 SBOX O ATOM 2373 C5' URA A 81 3.687 -0.601 5.417 1.00 0.00 SBOX C ATOM 2374 H5' URA A 81 13.294 0.387 -9.068 1.00 0.00 SBOX ATOM 2375 H5'' URA A 81 10.737 15.836 -6.485 1.00 0.00 SBOX ATOM 2376 C4' URA A 81 -2.777 -0.570 1.125 1.00 0.00 SBOX C ATOM 2377 H4' URA A 81 -7.307 13.618 6.752 1.00 0.00 SBOX ATOM 2378 O4' URA A 81 4.565 -1.592 -0.415 1.00 0.00 SBOX O ATOM 2379 C1' URA A 81 -3.380 -4.040 2.390 1.00 0.00 SBOX C ATOM 2380 H1' URA A 81 -4.977 -1.930 18.323 1.00 0.00 SBOX ATOM 2381 N1 URA A 81 -4.755 -3.905 1.581 1.00 0.00 SBOX N ATOM 2382 C6 URA A 81 5.668 -2.702 4.063 1.00 0.00 SBOX C ATOM 2383 H6 URA A 81 16.069 24.747 3.204 1.00 0.00 SBOX ATOM 2384 C5 URA A 81 4.426 -3.404 2.920 1.00 0.00 SBOX C ATOM 2385 H5 URA A 81 9.422 10.943 21.144 1.00 0.00 SBOX ATOM 2386 C4 URA A 81 -9.969 5.204 -7.895 1.00 0.00 SBOX C ATOM 2387 O4 URA A 81 3.856 -1.676 -8.396 1.00 0.00 SBOX O ATOM 2388 N3 URA A 81 -2.543 9.843 -5.220 1.00 0.00 SBOX N ATOM 2389 H3 URA A 81 -7.645 -9.094 -20.488 1.00 0.00 SBOX ATOM 2390 C2 URA A 81 0.895 7.900 -3.319 1.00 0.00 SBOX C ATOM 2391 O2 URA A 81 5.712 -2.797 4.636 1.00 0.00 SBOX O ATOM 2392 C3' URA A 81 4.759 0.555 -6.431 1.00 0.00 SBOX C ATOM 2393 H3' URA A 81 -6.296 9.438 -6.965 1.00 0.00 SBOX ATOM 2394 C2' URA A 81 -3.241 6.706 -0.271 1.00 0.00 SBOX C ATOM 2395 H2'' URA A 81 -18.156 19.407 20.964 1.00 0.00 SBOX ATOM 2396 O2' URA A 81 0.694 3.520 2.394 1.00 0.00 SBOX O ATOM 2397 H2' URA A 81 -5.948 -16.358 13.913 1.00 0.00 SBOX ATOM 2398 O3' URA A 81 2.228 -3.013 -3.396 1.00 0.00 SBOX O ATOM 2399 P GUA A 82 4.829 0.162 2.347 1.00 0.00 SBOX P ATOM 2400 O1P GUA A 82 -3.215 -3.784 6.792 1.00 0.00 SBOX ATOM 2401 O2P GUA A 82 -8.684 0.594 2.054 1.00 0.00 SBOX ATOM 2402 O5' GUA A 82 -9.473 4.027 -1.234 1.00 0.00 SBOX O ATOM 2403 C5' GUA A 82 -0.444 -10.150 0.405 1.00 0.00 SBOX C ATOM 2404 H5' GUA A 82 -12.920 -1.220 -6.114 1.00 0.00 SBOX ATOM 2405 H5'' GUA A 82 -16.431 -13.301 -4.713 1.00 0.00 SBOX ATOM 2406 C4' GUA A 82 1.093 -5.661 -2.621 1.00 0.00 SBOX C ATOM 2407 H4' GUA A 82 11.017 -7.763 -3.464 1.00 0.00 SBOX ATOM 2408 O4' GUA A 82 2.830 -3.322 -2.847 1.00 0.00 SBOX O ATOM 2409 C1' GUA A 82 1.583 -4.702 1.919 1.00 0.00 SBOX C ATOM 2410 H1' GUA A 82 21.143 10.279 16.900 1.00 0.00 SBOX ATOM 2411 N9 GUA A 82 4.638 6.666 2.952 1.00 0.00 SBOX N ATOM 2412 C8 GUA A 82 4.139 4.843 -2.196 1.00 0.00 SBOX C ATOM 2413 H8 GUA A 82 5.606 -5.843 23.462 1.00 0.00 SBOX ATOM 2414 N7 GUA A 82 10.687 -7.395 2.317 1.00 0.00 SBOX N ATOM 2415 C5 GUA A 82 7.720 8.612 -6.255 1.00 0.00 SBOX C ATOM 2416 C6 GUA A 82 4.772 -6.553 10.584 1.00 0.00 SBOX C ATOM 2417 O6 GUA A 82 -1.165 0.384 4.573 1.00 0.00 SBOX O ATOM 2418 N1 GUA A 82 4.483 -3.070 2.386 1.00 0.00 SBOX N ATOM 2419 H1 GUA A 82 0.124 -23.923 2.682 1.00 0.00 SBOX ATOM 2420 C2 GUA A 82 4.492 3.151 2.753 1.00 0.00 SBOX C ATOM 2421 N2 GUA A 82 -1.242 1.314 1.172 1.00 0.00 SBOX N ATOM 2422 H21 GUA A 82 17.902 10.596 15.342 1.00 0.00 SBOX ATOM 2423 H22 GUA A 82 12.797 3.855 4.251 1.00 0.00 SBOX ATOM 2424 N3 GUA A 82 1.091 -5.072 5.506 1.00 0.00 SBOX N ATOM 2425 C4 GUA A 82 3.598 0.751 -5.658 1.00 0.00 SBOX C ATOM 2426 C3' GUA A 82 -0.933 7.226 -2.208 1.00 0.00 SBOX C ATOM 2427 H3' GUA A 82 -7.161 2.995 -4.926 1.00 0.00 SBOX ATOM 2428 C2' GUA A 82 2.991 0.568 -1.355 1.00 0.00 SBOX C ATOM 2429 H2'' GUA A 82 7.245 -7.446 -8.421 1.00 0.00 SBOX ATOM 2430 O2' GUA A 82 -0.221 1.151 3.729 1.00 0.00 SBOX O ATOM 2431 H2' GUA A 82 -3.063 -4.514 13.324 1.00 0.00 SBOX ATOM 2432 O3' GUA A 82 -2.808 0.050 -4.499 1.00 0.00 SBOX O ATOM 2433 P ADE A 83 3.597 4.553 0.402 1.00 0.00 SBOX P ATOM 2434 O1P ADE A 83 5.654 -2.612 -3.224 1.00 0.00 SBOX ATOM 2435 O2P ADE A 83 -0.671 -4.135 -1.442 1.00 0.00 SBOX ATOM 2436 O5' ADE A 83 2.327 5.753 -0.004 1.00 0.00 SBOX O ATOM 2437 C5' ADE A 83 0.269 -7.432 4.471 1.00 0.00 SBOX C ATOM 2438 H5' ADE A 83 -9.001 9.674 -5.199 1.00 0.00 SBOX ATOM 2439 H5'' ADE A 83 11.305 11.466 16.924 1.00 0.00 SBOX ATOM 2440 C4' ADE A 83 -2.082 2.517 -2.905 1.00 0.00 SBOX C ATOM 2441 H4' ADE A 83 -16.720 24.350 22.958 1.00 0.00 SBOX ATOM 2442 O4' ADE A 83 2.416 4.063 -3.253 1.00 0.00 SBOX O ATOM 2443 C1' ADE A 83 0.798 0.761 -8.069 1.00 0.00 SBOX C ATOM 2444 H1' ADE A 83 -9.471 -5.469 8.750 1.00 0.00 SBOX ATOM 2445 N9 ADE A 83 3.592 -1.412 0.161 1.00 0.00 SBOX N ATOM 2446 C8 ADE A 83 -5.897 3.105 -0.199 1.00 0.00 SBOX C ATOM 2447 H8 ADE A 83 -9.247 0.224 -9.800 1.00 0.00 SBOX ATOM 2448 N7 ADE A 83 0.702 1.847 -3.401 1.00 0.00 SBOX N ATOM 2449 C5 ADE A 83 -5.393 0.032 -5.970 1.00 0.00 SBOX C ATOM 2450 C6 ADE A 83 5.624 -0.832 4.255 1.00 0.00 SBOX C ATOM 2451 N6 ADE A 83 6.313 3.343 -3.803 1.00 0.00 SBOX N ATOM 2452 H61 ADE A 83 5.113 23.529 -4.910 1.00 0.00 SBOX ATOM 2453 H62 ADE A 83 -6.180 -14.048 -3.040 1.00 0.00 SBOX ATOM 2454 N1 ADE A 83 0.066 -6.160 3.558 1.00 0.00 SBOX N ATOM 2455 C2 ADE A 83 1.624 -3.334 -5.181 1.00 0.00 SBOX C ATOM 2456 H2 ADE A 83 -1.131 -7.671 2.016 1.00 0.00 SBOX ATOM 2457 N3 ADE A 83 6.105 2.748 2.398 1.00 0.00 SBOX N ATOM 2458 C4 ADE A 83 1.634 2.534 2.947 1.00 0.00 SBOX C ATOM 2459 C3' ADE A 83 12.294 -0.842 -0.543 1.00 0.00 SBOX C ATOM 2460 H3' ADE A 83 6.441 17.216 24.460 1.00 0.00 SBOX ATOM 2461 C2' ADE A 83 0.830 0.134 -0.961 1.00 0.00 SBOX C ATOM 2462 H2'' ADE A 83 -1.086 4.440 1.573 1.00 0.00 SBOX ATOM 2463 O2' ADE A 83 4.982 -1.533 -0.558 1.00 0.00 SBOX O ATOM 2464 H2' ADE A 83 5.448 -8.655 4.636 1.00 0.00 SBOX ATOM 2465 O3' ADE A 83 5.165 5.422 -4.985 1.00 0.00 SBOX O ATOM 2466 P ADE A 84 1.437 0.446 3.713 1.00 0.00 SBOX P ATOM 2467 O1P ADE A 84 1.397 0.943 0.196 1.00 0.00 SBOX ATOM 2468 O2P ADE A 84 -6.086 5.021 1.223 1.00 0.00 SBOX ATOM 2469 O5' ADE A 84 -4.132 -0.384 2.064 1.00 0.00 SBOX O ATOM 2470 C5' ADE A 84 -4.693 0.986 -2.087 1.00 0.00 SBOX C ATOM 2471 H5' ADE A 84 15.936 -5.700 -8.088 1.00 0.00 SBOX ATOM 2472 H5'' ADE A 84 -1.775 -5.024 -2.437 1.00 0.00 SBOX ATOM 2473 C4' ADE A 84 -0.893 -5.480 10.691 1.00 0.00 SBOX C ATOM 2474 H4' ADE A 84 8.824 8.446 18.762 1.00 0.00 SBOX ATOM 2475 O4' ADE A 84 -2.844 -3.269 1.975 1.00 0.00 SBOX O ATOM 2476 C1' ADE A 84 -0.401 1.849 -0.188 1.00 0.00 SBOX C ATOM 2477 H1' ADE A 84 -18.890 -7.201 0.013 1.00 0.00 SBOX ATOM 2478 N9 ADE A 84 2.609 -2.420 -2.958 1.00 0.00 SBOX N ATOM 2479 C8 ADE A 84 7.037 -6.620 1.433 1.00 0.00 SBOX C ATOM 2480 H8 ADE A 84 20.380 -5.849 3.835 1.00 0.00 SBOX ATOM 2481 N7 ADE A 84 2.990 -3.653 4.027 1.00 0.00 SBOX N ATOM 2482 C5 ADE A 84 5.014 -0.710 -4.054 1.00 0.00 SBOX C ATOM 2483 C6 ADE A 84 6.982 2.819 -2.449 1.00 0.00 SBOX C ATOM 2484 N6 ADE A 84 -4.236 -3.335 0.278 1.00 0.00 SBOX N ATOM 2485 H61 ADE A 84 5.024 2.069 3.825 1.00 0.00 SBOX ATOM 2486 H62 ADE A 84 2.604 13.725 16.224 1.00 0.00 SBOX ATOM 2487 N1 ADE A 84 3.364 -8.859 8.131 1.00 0.00 SBOX N ATOM 2488 C2 ADE A 84 6.097 6.032 1.644 1.00 0.00 SBOX C ATOM 2489 H2 ADE A 84 -5.933 -12.530 -6.403 1.00 0.00 SBOX ATOM 2490 N3 ADE A 84 -3.689 -5.023 1.624 1.00 0.00 SBOX N ATOM 2491 C4 ADE A 84 1.474 1.114 -6.302 1.00 0.00 SBOX C ATOM 2492 C3' ADE A 84 5.161 -2.986 3.332 1.00 0.00 SBOX C ATOM 2493 H3' ADE A 84 11.219 0.112 14.645 1.00 0.00 SBOX ATOM 2494 C2' ADE A 84 -2.464 5.662 0.579 1.00 0.00 SBOX C ATOM 2495 H2'' ADE A 84 16.028 -5.996 -19.058 1.00 0.00 SBOX ATOM 2496 O2' ADE A 84 -3.779 -2.103 5.263 1.00 0.00 SBOX O ATOM 2497 H2' ADE A 84 -8.086 20.123 4.675 1.00 0.00 SBOX ATOM 2498 O3' ADE A 84 2.219 1.280 -9.559 1.00 0.00 SBOX O ATOM 2499 P ADE A 85 4.588 -3.232 -0.462 1.00 0.00 SBOX P ATOM 2500 O1P ADE A 85 8.368 -3.065 -1.017 1.00 0.00 SBOX ATOM 2501 O2P ADE A 85 2.266 -3.323 3.968 1.00 0.00 SBOX ATOM 2502 O5' ADE A 85 -0.126 -8.807 -6.595 1.00 0.00 SBOX O ATOM 2503 C5' ADE A 85 -2.735 -2.933 14.249 1.00 0.00 SBOX C ATOM 2504 H5' ADE A 85 -13.550 8.066 -35.045 1.00 0.00 SBOX ATOM 2505 H5'' ADE A 85 2.775 3.094 -0.836 1.00 0.00 SBOX ATOM 2506 C4' ADE A 85 6.572 -6.995 -10.250 1.00 0.00 SBOX C ATOM 2507 H4' ADE A 85 18.255 -13.778 8.673 1.00 0.00 SBOX ATOM 2508 O4' ADE A 85 -0.944 1.518 -2.544 1.00 0.00 SBOX O ATOM 2509 C1' ADE A 85 5.865 -2.290 -1.325 1.00 0.00 SBOX C ATOM 2510 H1' ADE A 85 19.652 5.872 -4.453 1.00 0.00 SBOX ATOM 2511 N9 ADE A 85 5.292 -1.765 -0.803 1.00 0.00 SBOX N ATOM 2512 C8 ADE A 85 6.658 0.461 0.179 1.00 0.00 SBOX C ATOM 2513 H8 ADE A 85 -4.326 24.495 17.196 1.00 0.00 SBOX ATOM 2514 N7 ADE A 85 -3.564 1.846 1.059 1.00 0.00 SBOX N ATOM 2515 C5 ADE A 85 2.868 4.370 -1.293 1.00 0.00 SBOX C ATOM 2516 C6 ADE A 85 -1.667 -1.783 3.723 1.00 0.00 SBOX C ATOM 2517 N6 ADE A 85 -3.446 -6.513 0.003 1.00 0.00 SBOX N ATOM 2518 H61 ADE A 85 6.805 11.531 -6.346 1.00 0.00 SBOX ATOM 2519 H62 ADE A 85 3.819 -13.446 -4.079 1.00 0.00 SBOX ATOM 2520 N1 ADE A 85 4.891 2.763 2.635 1.00 0.00 SBOX N ATOM 2521 C2 ADE A 85 -2.671 0.388 -3.963 1.00 0.00 SBOX C ATOM 2522 H2 ADE A 85 9.250 30.246 4.997 1.00 0.00 SBOX ATOM 2523 N3 ADE A 85 2.515 -2.223 -1.844 1.00 0.00 SBOX N ATOM 2524 C4 ADE A 85 8.107 -6.689 4.599 1.00 0.00 SBOX C ATOM 2525 C3' ADE A 85 1.970 -2.761 2.653 1.00 0.00 SBOX C ATOM 2526 H3' ADE A 85 8.377 -0.337 9.830 1.00 0.00 SBOX ATOM 2527 C2' ADE A 85 -0.698 7.302 -1.274 1.00 0.00 SBOX C ATOM 2528 H2'' ADE A 85 7.728 14.991 -17.972 1.00 0.00 SBOX ATOM 2529 O2' ADE A 85 2.986 0.752 4.639 1.00 0.00 SBOX O ATOM 2530 H2' ADE A 85 -15.566 -2.989 13.558 1.00 0.00 SBOX ATOM 2531 O3' ADE A 85 -0.544 7.272 -5.528 1.00 0.00 SBOX O ATOM 2532 P GUA A 86 -5.581 4.623 -0.571 1.00 0.00 SBOX P ATOM 2533 O1P GUA A 86 5.509 -0.213 -1.070 1.00 0.00 SBOX ATOM 2534 O2P GUA A 86 2.050 2.066 3.601 1.00 0.00 SBOX ATOM 2535 O5' GUA A 86 -3.098 -1.291 4.922 1.00 0.00 SBOX O ATOM 2536 C5' GUA A 86 6.498 2.245 -3.109 1.00 0.00 SBOX C ATOM 2537 H5' GUA A 86 27.550 -2.771 17.149 1.00 0.00 SBOX ATOM 2538 H5'' GUA A 86 4.808 -6.250 28.245 1.00 0.00 SBOX ATOM 2539 C4' GUA A 86 3.708 7.915 -5.075 1.00 0.00 SBOX C ATOM 2540 H4' GUA A 86 17.415 -6.577 -7.035 1.00 0.00 SBOX ATOM 2541 O4' GUA A 86 3.078 -0.671 -6.403 1.00 0.00 SBOX O ATOM 2542 C1' GUA A 86 -0.700 3.812 2.735 1.00 0.00 SBOX C ATOM 2543 H1' GUA A 86 -15.018 1.631 11.917 1.00 0.00 SBOX ATOM 2544 N9 GUA A 86 0.558 2.351 0.546 1.00 0.00 SBOX N ATOM 2545 C8 GUA A 86 -2.375 1.071 -7.231 1.00 0.00 SBOX C ATOM 2546 H8 GUA A 86 3.713 10.535 -10.177 1.00 0.00 SBOX ATOM 2547 N7 GUA A 86 4.235 3.691 4.733 1.00 0.00 SBOX N ATOM 2548 C5 GUA A 86 -5.512 8.242 1.603 1.00 0.00 SBOX C ATOM 2549 C6 GUA A 86 7.221 6.759 -5.021 1.00 0.00 SBOX C ATOM 2550 O6 GUA A 86 8.008 4.801 1.758 1.00 0.00 SBOX O ATOM 2551 N1 GUA A 86 -1.741 -1.639 2.144 1.00 0.00 SBOX N ATOM 2552 H1 GUA A 86 -6.366 -18.720 -20.520 1.00 0.00 SBOX ATOM 2553 C2 GUA A 86 -1.329 0.473 -3.342 1.00 0.00 SBOX C ATOM 2554 N2 GUA A 86 2.829 -3.552 6.439 1.00 0.00 SBOX N ATOM 2555 H21 GUA A 86 -0.045 -4.330 -9.898 1.00 0.00 SBOX ATOM 2556 H22 GUA A 86 -14.837 7.905 -0.664 1.00 0.00 SBOX ATOM 2557 N3 GUA A 86 6.064 3.434 -0.863 1.00 0.00 SBOX N ATOM 2558 C4 GUA A 86 3.852 1.789 -3.656 1.00 0.00 SBOX C ATOM 2559 C3' GUA A 86 -5.146 -3.143 5.305 1.00 0.00 SBOX C ATOM 2560 H3' GUA A 86 -19.184 -38.839 -7.699 1.00 0.00 SBOX ATOM 2561 C2' GUA A 86 -6.548 0.405 -2.927 1.00 0.00 SBOX C ATOM 2562 H2'' GUA A 86 -5.535 -13.520 11.932 1.00 0.00 SBOX ATOM 2563 O2' GUA A 86 -3.072 8.528 1.013 1.00 0.00 SBOX O ATOM 2564 H2' GUA A 86 -0.956 -1.278 -1.361 1.00 0.00 SBOX ATOM 2565 O3' GUA A 86 2.676 -3.882 -7.382 1.00 0.00 SBOX O ATOM 2566 P ADE A 87 0.968 -3.704 -0.513 1.00 0.00 SBOX P ATOM 2567 O1P ADE A 87 -0.212 0.639 -6.081 1.00 0.00 SBOX ATOM 2568 O2P ADE A 87 -1.814 -0.514 0.715 1.00 0.00 SBOX ATOM 2569 O5' ADE A 87 -5.409 6.237 -5.118 1.00 0.00 SBOX O ATOM 2570 C5' ADE A 87 1.753 0.265 3.926 1.00 0.00 SBOX C ATOM 2571 H5' ADE A 87 -2.079 37.259 -22.265 1.00 0.00 SBOX ATOM 2572 H5'' ADE A 87 0.375 -0.576 -28.095 1.00 0.00 SBOX ATOM 2573 C4' ADE A 87 3.171 5.979 3.157 1.00 0.00 SBOX C ATOM 2574 H4' ADE A 87 5.086 7.336 1.855 1.00 0.00 SBOX ATOM 2575 O4' ADE A 87 -1.880 -2.526 -0.831 1.00 0.00 SBOX O ATOM 2576 C1' ADE A 87 0.883 -3.597 4.229 1.00 0.00 SBOX C ATOM 2577 H1' ADE A 87 -3.970 17.735 9.226 1.00 0.00 SBOX ATOM 2578 N9 ADE A 87 -1.041 -3.149 -8.004 1.00 0.00 SBOX N ATOM 2579 C8 ADE A 87 -4.930 5.765 1.451 1.00 0.00 SBOX C ATOM 2580 H8 ADE A 87 -11.074 -22.549 9.816 1.00 0.00 SBOX ATOM 2581 N7 ADE A 87 -1.261 0.216 5.402 1.00 0.00 SBOX N ATOM 2582 C5 ADE A 87 -2.162 -6.173 2.938 1.00 0.00 SBOX C ATOM 2583 C6 ADE A 87 9.138 -3.901 -0.662 1.00 0.00 SBOX C ATOM 2584 N6 ADE A 87 2.495 8.719 -3.467 1.00 0.00 SBOX N ATOM 2585 H61 ADE A 87 8.866 5.848 6.177 1.00 0.00 SBOX ATOM 2586 H62 ADE A 87 0.932 5.963 -14.959 1.00 0.00 SBOX ATOM 2587 N1 ADE A 87 3.924 -3.700 0.535 1.00 0.00 SBOX N ATOM 2588 C2 ADE A 87 -7.861 1.492 -1.431 1.00 0.00 SBOX C ATOM 2589 H2 ADE A 87 -1.057 14.182 2.421 1.00 0.00 SBOX ATOM 2590 N3 ADE A 87 -4.645 6.425 0.146 1.00 0.00 SBOX N ATOM 2591 C4 ADE A 87 -4.001 4.437 -3.867 1.00 0.00 SBOX C ATOM 2592 C3' ADE A 87 -2.169 -5.827 -0.539 1.00 0.00 SBOX C ATOM 2593 H3' ADE A 87 -13.291 -7.071 5.307 1.00 0.00 SBOX ATOM 2594 C2' ADE A 87 1.110 -2.516 -0.292 1.00 0.00 SBOX C ATOM 2595 H2'' ADE A 87 19.341 5.275 3.102 1.00 0.00 SBOX ATOM 2596 O2' ADE A 87 1.736 1.124 1.063 1.00 0.00 SBOX O ATOM 2597 H2' ADE A 87 16.398 20.873 36.844 1.00 0.00 SBOX ATOM 2598 O3' ADE A 87 -1.405 2.214 3.075 1.00 0.00 SBOX O ATOM 2599 P URA A 88 1.298 0.855 2.023 1.00 0.00 SBOX P ATOM 2600 O1P URA A 88 -1.286 9.651 2.433 1.00 0.00 SBOX ATOM 2601 O2P URA A 88 -7.632 0.669 -4.363 1.00 0.00 SBOX ATOM 2602 O5' URA A 88 -2.047 -1.648 0.023 1.00 0.00 SBOX O ATOM 2603 C5' URA A 88 7.330 7.206 -4.984 1.00 0.00 SBOX C ATOM 2604 H5' URA A 88 3.095 -15.885 -2.563 1.00 0.00 SBOX ATOM 2605 H5'' URA A 88 9.350 11.793 -32.643 1.00 0.00 SBOX ATOM 2606 C4' URA A 88 -4.939 3.643 -4.985 1.00 0.00 SBOX C ATOM 2607 H4' URA A 88 -21.906 4.283 11.635 1.00 0.00 SBOX ATOM 2608 O4' URA A 88 8.807 -2.303 1.316 1.00 0.00 SBOX O ATOM 2609 C1' URA A 88 -1.628 9.491 -8.487 1.00 0.00 SBOX C ATOM 2610 H1' URA A 88 -1.999 -7.832 10.206 1.00 0.00 SBOX ATOM 2611 N1 URA A 88 -0.110 -2.249 8.256 1.00 0.00 SBOX N ATOM 2612 C6 URA A 88 0.202 -0.306 0.928 1.00 0.00 SBOX C ATOM 2613 H6 URA A 88 3.421 18.088 10.820 1.00 0.00 SBOX ATOM 2614 C5 URA A 88 -7.574 -8.715 -4.083 1.00 0.00 SBOX C ATOM 2615 H5 URA A 88 -28.774 -45.372 -12.331 1.00 0.00 SBOX ATOM 2616 C4 URA A 88 -3.451 -1.755 6.265 1.00 0.00 SBOX C ATOM 2617 O4 URA A 88 -2.444 -2.582 5.328 1.00 0.00 SBOX O ATOM 2618 N3 URA A 88 -1.562 -6.979 3.273 1.00 0.00 SBOX N ATOM 2619 H3 URA A 88 -12.330 -3.883 -7.168 1.00 0.00 SBOX ATOM 2620 C2 URA A 88 -1.597 -6.842 -1.546 1.00 0.00 SBOX C ATOM 2621 O2 URA A 88 -0.680 -1.146 -2.885 1.00 0.00 SBOX O ATOM 2622 C3' URA A 88 0.621 3.357 -10.012 1.00 0.00 SBOX C ATOM 2623 H3' URA A 88 -6.739 -14.298 -24.563 1.00 0.00 SBOX ATOM 2624 C2' URA A 88 -7.657 -0.786 2.246 1.00 0.00 SBOX C ATOM 2625 H2'' URA A 88 3.338 10.871 4.380 1.00 0.00 SBOX ATOM 2626 O2' URA A 88 -3.260 2.118 2.758 1.00 0.00 SBOX O ATOM 2627 H2' URA A 88 -18.267 6.905 15.360 1.00 0.00 SBOX ATOM 2628 O3' URA A 88 -0.782 3.640 -5.658 1.00 0.00 SBOX O ATOM 2629 P GUA A 89 6.196 1.764 -1.943 1.00 0.00 SBOX P ATOM 2630 O1P GUA A 89 -4.228 8.668 4.420 1.00 0.00 SBOX ATOM 2631 O2P GUA A 89 2.494 2.206 3.258 1.00 0.00 SBOX ATOM 2632 O5' GUA A 89 -7.737 -0.504 2.008 1.00 0.00 SBOX O ATOM 2633 C5' GUA A 89 -4.507 2.472 -1.655 1.00 0.00 SBOX C ATOM 2634 H5' GUA A 89 9.368 -24.034 -13.416 1.00 0.00 SBOX ATOM 2635 H5'' GUA A 89 10.587 -3.480 -6.174 1.00 0.00 SBOX ATOM 2636 C4' GUA A 89 -4.470 -7.804 0.933 1.00 0.00 SBOX C ATOM 2637 H4' GUA A 89 5.255 1.273 -7.921 1.00 0.00 SBOX ATOM 2638 O4' GUA A 89 5.301 -0.591 -2.897 1.00 0.00 SBOX O ATOM 2639 C1' GUA A 89 -1.055 -4.305 0.449 1.00 0.00 SBOX C ATOM 2640 H1' GUA A 89 -5.823 4.303 -10.021 1.00 0.00 SBOX ATOM 2641 N9 GUA A 89 -10.096 -7.542 1.425 1.00 0.00 SBOX N ATOM 2642 C8 GUA A 89 3.179 2.104 6.205 1.00 0.00 SBOX C ATOM 2643 H8 GUA A 89 0.917 -1.890 -0.034 1.00 0.00 SBOX ATOM 2644 N7 GUA A 89 8.355 5.343 5.072 1.00 0.00 SBOX N ATOM 2645 C5 GUA A 89 7.312 1.580 0.145 1.00 0.00 SBOX C ATOM 2646 C6 GUA A 89 2.767 0.606 3.710 1.00 0.00 SBOX C ATOM 2647 O6 GUA A 89 -0.425 -4.388 1.760 1.00 0.00 SBOX O ATOM 2648 N1 GUA A 89 7.676 -1.568 2.723 1.00 0.00 SBOX N ATOM 2649 H1 GUA A 89 -17.598 -10.131 -7.366 1.00 0.00 SBOX ATOM 2650 C2 GUA A 89 1.825 4.910 -8.438 1.00 0.00 SBOX C ATOM 2651 N2 GUA A 89 -4.617 -0.533 6.019 1.00 0.00 SBOX N ATOM 2652 H21 GUA A 89 -7.265 0.430 7.147 1.00 0.00 SBOX ATOM 2653 H22 GUA A 89 14.410 12.569 24.930 1.00 0.00 SBOX ATOM 2654 N3 GUA A 89 -4.730 -2.221 7.247 1.00 0.00 SBOX N ATOM 2655 C4 GUA A 89 0.154 5.082 3.793 1.00 0.00 SBOX C ATOM 2656 C3' GUA A 89 3.019 3.358 6.525 1.00 0.00 SBOX C ATOM 2657 H3' GUA A 89 3.858 -7.646 -23.017 1.00 0.00 SBOX ATOM 2658 C2' GUA A 89 -3.709 1.712 3.464 1.00 0.00 SBOX C ATOM 2659 H2'' GUA A 89 7.951 4.663 -1.474 1.00 0.00 SBOX ATOM 2660 O2' GUA A 89 -1.010 6.280 2.549 1.00 0.00 SBOX O ATOM 2661 H2' GUA A 89 20.096 11.355 43.169 1.00 0.00 SBOX ATOM 2662 O3' GUA A 89 -0.565 -1.036 9.044 1.00 0.00 SBOX O ATOM 2663 P ADE A 90 -4.323 -2.504 2.109 1.00 0.00 SBOX P ATOM 2664 O1P ADE A 90 -1.489 7.774 4.730 1.00 0.00 SBOX ATOM 2665 O2P ADE A 90 -3.955 0.980 -1.981 1.00 0.00 SBOX ATOM 2666 O5' ADE A 90 0.745 -7.123 1.777 1.00 0.00 SBOX O ATOM 2667 C5' ADE A 90 -2.279 1.554 5.207 1.00 0.00 SBOX C ATOM 2668 H5' ADE A 90 -4.584 8.258 10.851 1.00 0.00 SBOX ATOM 2669 H5'' ADE A 90 -17.552 -0.891 13.573 1.00 0.00 SBOX ATOM 2670 C4' ADE A 90 0.127 0.224 -3.147 1.00 0.00 SBOX C ATOM 2671 H4' ADE A 90 -1.129 -19.567 -5.675 1.00 0.00 SBOX ATOM 2672 O4' ADE A 90 -1.894 7.837 -0.197 1.00 0.00 SBOX O ATOM 2673 C1' ADE A 90 0.362 -4.610 8.125 1.00 0.00 SBOX C ATOM 2674 H1' ADE A 90 3.871 -11.683 -7.634 1.00 0.00 SBOX ATOM 2675 N9 ADE A 90 3.669 -5.575 2.207 1.00 0.00 SBOX N ATOM 2676 C8 ADE A 90 1.837 -2.776 3.785 1.00 0.00 SBOX C ATOM 2677 H8 ADE A 90 6.718 -0.944 5.631 1.00 0.00 SBOX ATOM 2678 N7 ADE A 90 6.689 0.720 1.463 1.00 0.00 SBOX N ATOM 2679 C5 ADE A 90 -3.945 -2.936 -1.443 1.00 0.00 SBOX C ATOM 2680 C6 ADE A 90 -4.073 7.105 6.012 1.00 0.00 SBOX C ATOM 2681 N6 ADE A 90 1.727 2.444 -0.574 1.00 0.00 SBOX N ATOM 2682 H61 ADE A 90 -5.230 0.480 -3.114 1.00 0.00 SBOX ATOM 2683 H62 ADE A 90 5.924 -7.167 -11.222 1.00 0.00 SBOX ATOM 2684 N1 ADE A 90 -5.972 -2.982 8.307 1.00 0.00 SBOX N ATOM 2685 C2 ADE A 90 4.388 -2.880 1.318 1.00 0.00 SBOX C ATOM 2686 H2 ADE A 90 7.033 -0.756 6.801 1.00 0.00 SBOX ATOM 2687 N3 ADE A 90 -4.748 -7.650 -2.059 1.00 0.00 SBOX N ATOM 2688 C4 ADE A 90 -1.022 1.034 -4.886 1.00 0.00 SBOX C ATOM 2689 C3' ADE A 90 4.810 -3.234 -2.895 1.00 0.00 SBOX C ATOM 2690 H3' ADE A 90 -11.138 -5.984 -21.775 1.00 0.00 SBOX ATOM 2691 C2' ADE A 90 -1.869 -0.944 3.776 1.00 0.00 SBOX C ATOM 2692 H2'' ADE A 90 -1.068 -9.648 -15.811 1.00 0.00 SBOX ATOM 2693 O2' ADE A 90 -3.847 6.757 4.140 1.00 0.00 SBOX O ATOM 2694 H2' ADE A 90 -26.237 10.667 19.081 1.00 0.00 SBOX ATOM 2695 O3' ADE A 90 3.440 -1.822 -2.829 1.00 0.00 SBOX O ATOM 2696 P GUA A 91 0.853 2.418 5.027 1.00 0.00 SBOX P ATOM 2697 O1P GUA A 91 -1.718 -2.098 8.924 1.00 0.00 SBOX ATOM 2698 O2P GUA A 91 4.801 -0.609 8.930 1.00 0.00 SBOX ATOM 2699 O5' GUA A 91 -2.244 -8.076 5.567 1.00 0.00 SBOX O ATOM 2700 C5' GUA A 91 2.451 6.891 -4.254 1.00 0.00 SBOX C ATOM 2701 H5' GUA A 91 -6.383 7.942 14.675 1.00 0.00 SBOX ATOM 2702 H5'' GUA A 91 -3.614 -12.240 6.860 1.00 0.00 SBOX ATOM 2703 C4' GUA A 91 -1.118 -5.127 -3.875 1.00 0.00 SBOX C ATOM 2704 H4' GUA A 91 13.395 -4.794 13.757 1.00 0.00 SBOX ATOM 2705 O4' GUA A 91 4.708 4.237 1.361 1.00 0.00 SBOX O ATOM 2706 C1' GUA A 91 5.560 10.445 0.952 1.00 0.00 SBOX C ATOM 2707 H1' GUA A 91 0.938 13.730 -16.482 1.00 0.00 SBOX ATOM 2708 N9 GUA A 91 2.388 4.392 -3.356 1.00 0.00 SBOX N ATOM 2709 C8 GUA A 91 -2.660 9.209 0.764 1.00 0.00 SBOX C ATOM 2710 H8 GUA A 91 -29.527 8.309 -17.651 1.00 0.00 SBOX ATOM 2711 N7 GUA A 91 -1.600 -1.608 8.665 1.00 0.00 SBOX N ATOM 2712 C5 GUA A 91 3.671 4.099 -0.024 1.00 0.00 SBOX C ATOM 2713 C6 GUA A 91 1.974 -8.938 1.070 1.00 0.00 SBOX C ATOM 2714 O6 GUA A 91 -6.288 -3.051 2.860 1.00 0.00 SBOX O ATOM 2715 N1 GUA A 91 0.188 -11.455 13.312 1.00 0.00 SBOX N ATOM 2716 H1 GUA A 91 -10.064 -13.175 3.607 1.00 0.00 SBOX ATOM 2717 C2 GUA A 91 3.679 -1.742 -5.181 1.00 0.00 SBOX C ATOM 2718 N2 GUA A 91 -0.718 -2.504 3.289 1.00 0.00 SBOX N ATOM 2719 H21 GUA A 91 -8.940 -5.236 -5.369 1.00 0.00 SBOX ATOM 2720 H22 GUA A 91 15.671 -10.629 3.409 1.00 0.00 SBOX ATOM 2721 N3 GUA A 91 4.475 2.941 1.820 1.00 0.00 SBOX N ATOM 2722 C4 GUA A 91 -1.925 -1.713 -3.542 1.00 0.00 SBOX C ATOM 2723 C3' GUA A 91 -1.464 -3.085 6.058 1.00 0.00 SBOX C ATOM 2724 H3' GUA A 91 1.553 4.148 16.130 1.00 0.00 SBOX ATOM 2725 C2' GUA A 91 -6.032 -1.303 -2.115 1.00 0.00 SBOX C ATOM 2726 H2'' GUA A 91 -5.949 18.195 5.475 1.00 0.00 SBOX ATOM 2727 O2' GUA A 91 2.735 -2.945 -12.351 1.00 0.00 SBOX O ATOM 2728 H2' GUA A 91 -9.649 -9.600 -15.986 1.00 0.00 SBOX ATOM 2729 O3' GUA A 91 1.602 -2.156 6.302 1.00 0.00 SBOX O ATOM 2730 P CYT A 92 1.781 2.430 -1.537 1.00 0.00 SBOX P ATOM 2731 O1P CYT A 92 2.149 0.620 3.575 1.00 0.00 SBOX ATOM 2732 O2P CYT A 92 5.143 7.179 -6.997 1.00 0.00 SBOX ATOM 2733 O5' CYT A 92 -4.694 -1.314 0.969 1.00 0.00 SBOX O ATOM 2734 C5' CYT A 92 1.718 1.958 3.116 1.00 0.00 SBOX C ATOM 2735 H5' CYT A 92 12.059 26.559 -9.060 1.00 0.00 SBOX ATOM 2736 H5'' CYT A 92 -17.610 1.343 -7.654 1.00 0.00 SBOX ATOM 2737 C4' CYT A 92 3.005 4.488 1.822 1.00 0.00 SBOX C ATOM 2738 H4' CYT A 92 -5.598 6.767 -0.461 1.00 0.00 SBOX ATOM 2739 O4' CYT A 92 3.645 2.695 -4.518 1.00 0.00 SBOX O ATOM 2740 C1' CYT A 92 1.474 8.092 -10.732 1.00 0.00 SBOX C ATOM 2741 H1' CYT A 92 -10.087 0.367 10.042 1.00 0.00 SBOX ATOM 2742 N1 CYT A 92 -1.582 -2.886 -7.801 1.00 0.00 SBOX N ATOM 2743 C6 CYT A 92 2.065 5.192 -4.062 1.00 0.00 SBOX C ATOM 2744 H6 CYT A 92 13.153 -14.522 16.616 1.00 0.00 SBOX ATOM 2745 C5 CYT A 92 6.771 -2.380 4.473 1.00 0.00 SBOX C ATOM 2746 H5 CYT A 92 14.690 0.745 9.042 1.00 0.00 SBOX ATOM 2747 C4 CYT A 92 0.807 -8.689 2.402 1.00 0.00 SBOX C ATOM 2748 N4 CYT A 92 1.298 -6.148 -0.114 1.00 0.00 SBOX N ATOM 2749 H41 CYT A 92 -18.260 -19.387 -17.712 1.00 0.00 SBOX ATOM 2750 H42 CYT A 92 36.718 16.523 -9.593 1.00 0.00 SBOX ATOM 2751 N3 CYT A 92 3.102 5.384 -1.696 1.00 0.00 SBOX N ATOM 2752 C2 CYT A 92 1.839 9.912 -6.077 1.00 0.00 SBOX C ATOM 2753 O2 CYT A 92 0.901 0.382 -2.619 1.00 0.00 SBOX O ATOM 2754 C3' CYT A 92 1.951 -3.004 9.523 1.00 0.00 SBOX C ATOM 2755 H3' CYT A 92 -10.772 -3.530 -0.766 1.00 0.00 SBOX ATOM 2756 C2' CYT A 92 0.074 11.528 -5.809 1.00 0.00 SBOX C ATOM 2757 H2'' CYT A 92 2.482 5.893 -0.846 1.00 0.00 SBOX ATOM 2758 O2' CYT A 92 6.043 -2.277 -2.878 1.00 0.00 SBOX O ATOM 2759 H2' CYT A 92 5.660 2.606 -9.068 1.00 0.00 SBOX ATOM 2760 O3' CYT A 92 -7.322 4.078 1.386 1.00 0.00 SBOX O ATOM 2761 P CYT A 93 1.309 -3.184 4.889 1.00 0.00 SBOX P ATOM 2762 O1P CYT A 93 -1.368 5.377 6.310 1.00 0.00 SBOX ATOM 2763 O2P CYT A 93 1.650 3.509 2.332 1.00 0.00 SBOX ATOM 2764 O5' CYT A 93 8.674 2.303 5.785 1.00 0.00 SBOX O ATOM 2765 C5' CYT A 93 -3.868 -2.890 -0.777 1.00 0.00 SBOX C ATOM 2766 H5' CYT A 93 -0.762 -2.188 9.497 1.00 0.00 SBOX ATOM 2767 H5'' CYT A 93 31.551 -15.781 -26.512 1.00 0.00 SBOX ATOM 2768 C4' CYT A 93 1.539 3.372 -4.438 1.00 0.00 SBOX C ATOM 2769 H4' CYT A 93 19.649 7.221 -4.676 1.00 0.00 SBOX ATOM 2770 O4' CYT A 93 0.947 -2.886 2.346 1.00 0.00 SBOX O ATOM 2771 C1' CYT A 93 2.697 -2.724 -6.058 1.00 0.00 SBOX C ATOM 2772 H1' CYT A 93 10.548 -3.611 -4.349 1.00 0.00 SBOX ATOM 2773 N1 CYT A 93 -6.170 2.068 -7.990 1.00 0.00 SBOX N ATOM 2774 C6 CYT A 93 -0.840 -3.343 5.466 1.00 0.00 SBOX C ATOM 2775 H6 CYT A 93 29.748 0.645 19.076 1.00 0.00 SBOX ATOM 2776 C5 CYT A 93 4.081 -3.605 0.644 1.00 0.00 SBOX C ATOM 2777 H5 CYT A 93 5.205 8.106 -29.918 1.00 0.00 SBOX ATOM 2778 C4 CYT A 93 1.630 1.497 3.684 1.00 0.00 SBOX C ATOM 2779 N4 CYT A 93 -4.915 -5.460 2.218 1.00 0.00 SBOX N ATOM 2780 H41 CYT A 93 -4.330 16.828 -0.991 1.00 0.00 SBOX ATOM 2781 H42 CYT A 93 -10.036 -16.432 27.518 1.00 0.00 SBOX ATOM 2782 N3 CYT A 93 0.444 -2.002 0.870 1.00 0.00 SBOX N ATOM 2783 C2 CYT A 93 -3.201 4.105 10.111 1.00 0.00 SBOX C ATOM 2784 O2 CYT A 93 5.959 2.527 6.114 1.00 0.00 SBOX O ATOM 2785 C3' CYT A 93 -1.993 0.143 -4.371 1.00 0.00 SBOX C ATOM 2786 H3' CYT A 93 -10.023 -1.535 -5.739 1.00 0.00 SBOX ATOM 2787 C2' CYT A 93 -4.258 -1.362 1.432 1.00 0.00 SBOX C ATOM 2788 H2'' CYT A 93 8.219 -7.928 14.009 1.00 0.00 SBOX ATOM 2789 O2' CYT A 93 -4.197 6.336 2.389 1.00 0.00 SBOX O ATOM 2790 H2' CYT A 93 2.127 -15.081 14.479 1.00 0.00 SBOX ATOM 2791 O3' CYT A 93 3.981 -1.948 -0.195 1.00 0.00 SBOX O ATOM 2792 O3' ADE A 94 -2.193 -3.772 5.016 1.00 0.00 SBOX O ATOM 2793 H3T ADE A 94 -7.377 -11.827 -5.733 1.00 0.00 SBOX ATOM 2794 P ADE A 94 -2.766 -1.256 -3.358 1.00 0.00 SBOX P ATOM 2795 O1P ADE A 94 2.175 -1.951 -8.875 1.00 0.00 SBOX ATOM 2796 O2P ADE A 94 -1.389 -3.601 -5.745 1.00 0.00 SBOX ATOM 2797 O5' ADE A 94 0.790 4.186 -3.452 1.00 0.00 SBOX O ATOM 2798 C5' ADE A 94 -7.507 -0.108 12.787 1.00 0.00 SBOX C ATOM 2799 H5' ADE A 94 -17.517 6.440 27.543 1.00 0.00 SBOX ATOM 2800 H5'' ADE A 94 5.890 -37.106 -2.305 1.00 0.00 SBOX ATOM 2801 C4' ADE A 94 -4.530 7.909 -2.231 1.00 0.00 SBOX C ATOM 2802 H4' ADE A 94 16.163 27.761 28.226 1.00 0.00 SBOX ATOM 2803 O4' ADE A 94 3.102 1.595 -4.106 1.00 0.00 SBOX O ATOM 2804 C1' ADE A 94 -2.327 -4.549 5.636 1.00 0.00 SBOX C ATOM 2805 H1' ADE A 94 -4.065 3.662 -0.935 1.00 0.00 SBOX ATOM 2806 N9 ADE A 94 0.219 5.830 -1.387 1.00 0.00 SBOX N ATOM 2807 C8 ADE A 94 3.056 0.183 -3.912 1.00 0.00 SBOX C ATOM 2808 H8 ADE A 94 1.556 -1.001 -3.820 1.00 0.00 SBOX ATOM 2809 N7 ADE A 94 1.793 -3.877 -2.646 1.00 0.00 SBOX N ATOM 2810 C5 ADE A 94 -1.682 0.487 1.175 1.00 0.00 SBOX C ATOM 2811 C6 ADE A 94 -2.154 3.397 1.494 1.00 0.00 SBOX C ATOM 2812 N6 ADE A 94 0.243 -6.299 4.171 1.00 0.00 SBOX N ATOM 2813 H61 ADE A 94 6.091 5.260 4.967 1.00 0.00 SBOX ATOM 2814 H62 ADE A 94 -29.891 -12.993 -5.175 1.00 0.00 SBOX ATOM 2815 N1 ADE A 94 2.241 -7.338 -0.545 1.00 0.00 SBOX N ATOM 2816 C2 ADE A 94 -6.097 -2.390 -9.628 1.00 0.00 SBOX C ATOM 2817 H2 ADE A 94 -10.579 14.214 -17.816 1.00 0.00 SBOX ATOM 2818 N3 ADE A 94 0.248 2.473 7.279 1.00 0.00 SBOX N ATOM 2819 C4 ADE A 94 -3.285 3.732 5.694 1.00 0.00 SBOX C ATOM 2820 C3' ADE A 94 -3.708 2.862 5.461 1.00 0.00 SBOX C ATOM 2821 H3' ADE A 94 -13.564 -3.882 5.400 1.00 0.00 SBOX ATOM 2822 C2' ADE A 94 4.935 -2.969 1.608 1.00 0.00 SBOX C ATOM 2823 H2'' ADE A 94 -17.427 -10.902 -17.278 1.00 0.00 SBOX ATOM 2824 O2' ADE A 94 2.323 -5.665 -3.703 1.00 0.00 SBOX O ATOM 2825 H2' ADE A 94 -9.884 -5.366 -9.795 1.00 0.00 SBOX ATOM 2826 OH2 TIP3X 401 2.274 3.856 2.460 1.00 0.00 SOLV O ATOM 2827 H1 TIP3X 401 3.644 -2.468 4.621 1.00 0.00 SOLV ATOM 2828 H2 TIP3X 401 -4.440 9.386 -10.725 1.00 0.00 SOLV ATOM 2829 OH2 TIP3X 402 4.018 2.106 -1.874 1.00 0.00 SOLV O ATOM 2830 H1 TIP3X 402 5.823 8.169 -10.612 1.00 0.00 SOLV ATOM 2831 H2 TIP3X 402 12.589 3.934 -0.870 1.00 0.00 SOLV ATOM 2832 OH2 TIP3X 403 -0.697 -3.356 -2.480 1.00 0.00 SOLV O ATOM 2833 H1 TIP3X 403 1.184 2.465 -10.969 1.00 0.00 SOLV ATOM 2834 H2 TIP3X 403 7.703 7.528 -14.532 1.00 0.00 SOLV ATOM 2835 OH2 TIP3X 404 2.038 -2.053 0.014 1.00 0.00 SOLV O ATOM 2836 H1 TIP3X 404 16.617 -4.167 3.775 1.00 0.00 SOLV ATOM 2837 H2 TIP3X 404 -3.064 -4.553 6.316 1.00 0.00 SOLV ATOM 2838 OH2 TIP3X 405 -3.891 -0.244 1.832 1.00 0.00 SOLV O ATOM 2839 H1 TIP3X 405 -3.521 2.108 -7.196 1.00 0.00 SOLV ATOM 2840 H2 TIP3X 405 -5.098 1.112 6.199 1.00 0.00 SOLV ATOM 2841 OH2 TIP3X 406 2.473 0.993 -5.424 1.00 0.00 SOLV O ATOM 2842 H1 TIP3X 406 22.827 -2.078 20.966 1.00 0.00 SOLV ATOM 2843 H2 TIP3X 406 5.269 -3.057 -3.947 1.00 0.00 SOLV ATOM 2844 OH2 TIP3X 407 4.351 0.625 7.713 1.00 0.00 SOLV O ATOM 2845 H1 TIP3X 407 3.203 3.550 9.196 1.00 0.00 SOLV ATOM 2846 H2 TIP3X 407 11.167 37.690 18.399 1.00 0.00 SOLV ATOM 2847 OH2 TIP3X 408 -3.987 -7.729 -2.231 1.00 0.00 SOLV O ATOM 2848 H1 TIP3X 408 -2.774 23.003 -7.743 1.00 0.00 SOLV ATOM 2849 H2 TIP3X 408 7.379 -17.006 -0.297 1.00 0.00 SOLV ATOM 2850 OH2 TIP3X 409 -0.739 -2.077 2.630 1.00 0.00 SOLV O ATOM 2851 H1 TIP3X 409 7.181 -3.896 6.534 1.00 0.00 SOLV ATOM 2852 H2 TIP3X 409 4.015 -3.919 8.911 1.00 0.00 SOLV ATOM 2853 OH2 TIP3X 410 4.861 -0.433 -5.901 1.00 0.00 SOLV O ATOM 2854 H1 TIP3X 410 -9.544 -18.721 9.051 1.00 0.00 SOLV ATOM 2855 H2 TIP3X 410 15.086 -15.363 -16.416 1.00 0.00 SOLV ATOM 2856 OH2 TIP3X 411 3.752 2.708 -3.470 1.00 0.00 SOLV O ATOM 2857 H1 TIP3X 411 -8.751 -9.127 -3.560 1.00 0.00 SOLV ATOM 2858 H2 TIP3X 411 8.354 12.030 5.719 1.00 0.00 SOLV ATOM 2859 OH2 TIP3X 412 1.339 -4.418 5.579 1.00 0.00 SOLV O ATOM 2860 H1 TIP3X 412 2.787 -2.412 -6.763 1.00 0.00 SOLV ATOM 2861 H2 TIP3X 412 0.334 -5.604 12.367 1.00 0.00 SOLV ATOM 2862 OH2 TIP3X 413 -2.602 -2.620 0.930 1.00 0.00 SOLV O ATOM 2863 H1 TIP3X 413 -17.328 -12.756 -15.196 1.00 0.00 SOLV ATOM 2864 H2 TIP3X 413 10.662 39.301 -1.222 1.00 0.00 SOLV ATOM 2865 OH2 TIP3X 415 0.298 -0.948 6.015 1.00 0.00 SOLV O ATOM 2866 H1 TIP3X 415 6.279 -4.871 26.190 1.00 0.00 SOLV ATOM 2867 H2 TIP3X 415 -21.741 -18.213 1.849 1.00 0.00 SOLV ATOM 2868 OH2 TIP3X 416 -0.171 0.261 -3.712 1.00 0.00 SOLV O ATOM 2869 H1 TIP3X 416 -0.729 31.475 -14.824 1.00 0.00 SOLV ATOM 2870 H2 TIP3X 416 -4.557 7.795 -18.487 1.00 0.00 SOLV ATOM 2871 OH2 TIP3X 417 -2.147 -5.495 -0.982 1.00 0.00 SOLV O ATOM 2872 H1 TIP3X 417 18.639 1.238 0.132 1.00 0.00 SOLV ATOM 2873 H2 TIP3X 417 -2.424 -10.266 2.799 1.00 0.00 SOLV ATOM 2874 OH2 TIP3X 418 8.987 -3.158 2.018 1.00 0.00 SOLV O ATOM 2875 H1 TIP3X 418 12.410 -5.090 13.495 1.00 0.00 SOLV ATOM 2876 H2 TIP3X 418 4.236 -2.861 -12.399 1.00 0.00 SOLV ATOM 2877 OH2 TIP3X 419 -5.561 -6.115 2.645 1.00 0.00 SOLV O ATOM 2878 H1 TIP3X 419 4.072 -12.633 -15.916 1.00 0.00 SOLV ATOM 2879 H2 TIP3X 419 -2.614 10.828 11.266 1.00 0.00 SOLV ATOM 2880 OH2 TIP3X 420 1.287 1.943 -1.441 1.00 0.00 SOLV O ATOM 2881 H1 TIP3X 420 0.006 4.049 -7.282 1.00 0.00 SOLV ATOM 2882 H2 TIP3X 420 -7.331 -4.000 -0.052 1.00 0.00 SOLV ATOM 2883 OH2 TIP3X 421 -1.036 -4.508 2.753 1.00 0.00 SOLV O ATOM 2884 H1 TIP3X 421 25.759 -8.265 -4.195 1.00 0.00 SOLV ATOM 2885 H2 TIP3X 421 -20.255 -1.778 7.840 1.00 0.00 SOLV ATOM 2886 OH2 TIP3X 422 -6.574 -0.423 0.013 1.00 0.00 SOLV O ATOM 2887 H1 TIP3X 422 -11.643 1.217 -8.972 1.00 0.00 SOLV ATOM 2888 H2 TIP3X 422 6.931 -3.585 6.986 1.00 0.00 SOLV ATOM 2889 OH2 TIP3X 423 6.872 1.117 2.139 1.00 0.00 SOLV O ATOM 2890 H1 TIP3X 423 18.646 15.422 30.555 1.00 0.00 SOLV ATOM 2891 H2 TIP3X 423 10.526 8.688 15.331 1.00 0.00 SOLV ATOM 2892 OH2 TIP3X 424 -1.202 -4.468 2.549 1.00 0.00 SOLV O ATOM 2893 H1 TIP3X 424 -12.782 3.798 13.055 1.00 0.00 SOLV ATOM 2894 H2 TIP3X 424 -2.701 8.341 1.884 1.00 0.00 SOLV ATOM 2895 OH2 TIP3X 425 -0.158 -0.528 7.003 1.00 0.00 SOLV O ATOM 2896 H1 TIP3X 425 -20.269 8.442 18.006 1.00 0.00 SOLV ATOM 2897 H2 TIP3X 425 -3.634 -10.001 30.818 1.00 0.00 SOLV ATOM 2898 OH2 TIP3X 426 -4.395 -2.417 -2.549 1.00 0.00 SOLV O ATOM 2899 H1 TIP3X 426 7.841 4.015 -12.833 1.00 0.00 SOLV ATOM 2900 H2 TIP3X 426 1.867 -8.066 3.012 1.00 0.00 SOLV ATOM 2901 OH2 TIP3X 427 -4.513 2.138 0.945 1.00 0.00 SOLV O ATOM 2902 H1 TIP3X 427 -0.197 -0.500 7.834 1.00 0.00 SOLV ATOM 2903 H2 TIP3X 427 -5.108 -0.563 -14.366 1.00 0.00 SOLV ATOM 2904 OH2 TIP3X 428 -1.029 4.098 0.857 1.00 0.00 SOLV O ATOM 2905 H1 TIP3X 428 -7.273 16.932 7.753 1.00 0.00 SOLV ATOM 2906 H2 TIP3X 428 6.945 4.737 12.592 1.00 0.00 SOLV ATOM 2907 OH2 TIP3X 429 -2.166 -5.243 3.834 1.00 0.00 SOLV O ATOM 2908 H1 TIP3X 429 -7.608 -0.857 22.693 1.00 0.00 SOLV ATOM 2909 H2 TIP3X 429 19.988 -11.620 5.111 1.00 0.00 SOLV ATOM 2910 OH2 TIP3X 430 6.497 -1.825 -1.653 1.00 0.00 SOLV O ATOM 2911 H1 TIP3X 430 22.794 -9.364 -4.210 1.00 0.00 SOLV ATOM 2912 H2 TIP3X 430 -5.320 -1.345 -1.192 1.00 0.00 SOLV ATOM 2913 OH2 TIP3X 431 -5.239 -0.085 4.050 1.00 0.00 SOLV O ATOM 2914 H1 TIP3X 431 -4.367 1.756 20.551 1.00 0.00 SOLV ATOM 2915 H2 TIP3X 431 -0.225 -20.262 0.224 1.00 0.00 SOLV ATOM 2916 OH2 TIP3X 432 -2.029 -8.567 -3.402 1.00 0.00 SOLV O ATOM 2917 H1 TIP3X 432 12.104 -11.195 -4.438 1.00 0.00 SOLV ATOM 2918 H2 TIP3X 432 -5.331 -13.472 -7.974 1.00 0.00 SOLV ATOM 2919 OH2 TIP3X 433 0.220 -3.835 -0.157 1.00 0.00 SOLV O ATOM 2920 H1 TIP3X 433 2.050 -10.305 4.939 1.00 0.00 SOLV ATOM 2921 H2 TIP3X 433 -7.622 -5.179 -2.081 1.00 0.00 SOLV ATOM 2922 OH2 TIP3X 434 4.866 -0.078 -8.192 1.00 0.00 SOLV O ATOM 2923 H1 TIP3X 434 22.080 8.016 -10.914 1.00 0.00 SOLV ATOM 2924 H2 TIP3X 434 7.958 16.047 -8.430 1.00 0.00 SOLV ATOM 2925 OH2 TIP3X 435 -6.897 0.091 -1.118 1.00 0.00 SOLV O ATOM 2926 H1 TIP3X 435 -15.063 2.827 7.618 1.00 0.00 SOLV ATOM 2927 H2 TIP3X 435 0.206 5.821 9.056 1.00 0.00 SOLV ATOM 2928 OH2 TIP3X 436 5.961 -1.093 -5.102 1.00 0.00 SOLV O ATOM 2929 H1 TIP3X 436 -5.293 7.999 -1.103 1.00 0.00 SOLV ATOM 2930 H2 TIP3X 436 12.361 1.206 3.748 1.00 0.00 SOLV ATOM 2931 OH2 TIP3X 437 0.038 0.833 -0.449 1.00 0.00 SOLV O ATOM 2932 H1 TIP3X 437 -3.943 -6.318 22.518 1.00 0.00 SOLV ATOM 2933 H2 TIP3X 437 -3.788 16.808 -5.530 1.00 0.00 SOLV ATOM 2934 OH2 TIP3X 438 -0.584 4.769 -1.368 1.00 0.00 SOLV O ATOM 2935 H1 TIP3X 438 20.964 -14.593 17.953 1.00 0.00 SOLV ATOM 2936 H2 TIP3X 438 -13.348 7.690 -9.005 1.00 0.00 SOLV ATOM 2937 OH2 TIP3X 439 2.367 -1.840 4.901 1.00 0.00 SOLV O ATOM 2938 H1 TIP3X 439 4.307 8.254 10.155 1.00 0.00 SOLV ATOM 2939 H2 TIP3X 439 -16.879 0.754 27.693 1.00 0.00 SOLV ATOM 2940 OH2 TIP3X 440 -0.229 -2.023 -6.128 1.00 0.00 SOLV O ATOM 2941 H1 TIP3X 440 -4.601 -0.217 -7.236 1.00 0.00 SOLV ATOM 2942 H2 TIP3X 440 1.474 -6.424 -11.173 1.00 0.00 SOLV ATOM 2943 OH2 TIP3X 441 -0.844 -1.988 -0.834 1.00 0.00 SOLV O ATOM 2944 H1 TIP3X 441 -7.060 -5.144 1.224 1.00 0.00 SOLV ATOM 2945 H2 TIP3X 441 -6.425 1.733 -6.263 1.00 0.00 SOLV ATOM 2946 OH2 TIP3X 442 -6.495 -3.446 -1.923 1.00 0.00 SOLV O ATOM 2947 H1 TIP3X 442 -17.718 -2.409 6.687 1.00 0.00 SOLV ATOM 2948 H2 TIP3X 442 -7.457 2.035 -3.245 1.00 0.00 SOLV ATOM 2949 OH2 TIP3X 443 2.542 -5.447 0.011 1.00 0.00 SOLV O ATOM 2950 H1 TIP3X 443 10.696 -16.838 2.383 1.00 0.00 SOLV ATOM 2951 H2 TIP3X 443 -1.084 -7.555 2.257 1.00 0.00 SOLV ATOM 2952 OH2 TIP3X 444 5.533 8.995 -2.761 1.00 0.00 SOLV O ATOM 2953 H1 TIP3X 444 5.591 -11.118 -9.295 1.00 0.00 SOLV ATOM 2954 H2 TIP3X 444 6.735 3.204 -4.653 1.00 0.00 SOLV ATOM 2955 OH2 TIP3X 445 -0.715 1.056 -3.177 1.00 0.00 SOLV O ATOM 2956 H1 TIP3X 445 2.072 -3.661 -0.352 1.00 0.00 SOLV ATOM 2957 H2 TIP3X 445 -20.129 9.563 -6.571 1.00 0.00 SOLV ATOM 2958 OH2 TIP3X 446 1.727 2.011 -3.838 1.00 0.00 SOLV O ATOM 2959 H1 TIP3X 446 -0.673 0.950 0.274 1.00 0.00 SOLV ATOM 2960 H2 TIP3X 446 -17.553 8.374 -4.734 1.00 0.00 SOLV ATOM 2961 OH2 TIP3X 447 -8.338 1.145 0.437 1.00 0.00 SOLV O ATOM 2962 H1 TIP3X 447 13.223 1.739 -5.899 1.00 0.00 SOLV ATOM 2963 H2 TIP3X 447 -4.706 11.532 8.407 1.00 0.00 SOLV ATOM 2964 OH2 TIP3X 448 1.144 0.189 0.229 1.00 0.00 SOLV O ATOM 2965 H1 TIP3X 448 11.960 -0.525 -5.342 1.00 0.00 SOLV ATOM 2966 H2 TIP3X 448 3.204 -0.672 -0.378 1.00 0.00 SOLV ATOM 2967 OH2 TIP3X 449 -5.245 -2.122 0.615 1.00 0.00 SOLV O ATOM 2968 H1 TIP3X 449 5.327 -12.319 -2.059 1.00 0.00 SOLV ATOM 2969 H2 TIP3X 449 -10.619 1.685 -12.402 1.00 0.00 SOLV ATOM 2970 OH2 TIP3X 450 -0.377 0.446 6.344 1.00 0.00 SOLV O ATOM 2971 H1 TIP3X 450 -5.236 4.378 5.653 1.00 0.00 SOLV ATOM 2972 H2 TIP3X 450 8.623 -0.238 1.342 1.00 0.00 SOLV ATOM 2973 OH2 TIP3X 451 -2.268 5.044 -3.891 1.00 0.00 SOLV O ATOM 2974 H1 TIP3X 451 -0.951 -19.865 11.829 1.00 0.00 SOLV ATOM 2975 H2 TIP3X 451 -30.589 7.595 -0.655 1.00 0.00 SOLV ATOM 2976 OH2 TIP3X 452 -1.272 5.113 -0.452 1.00 0.00 SOLV O ATOM 2977 H1 TIP3X 452 -7.552 14.472 3.063 1.00 0.00 SOLV ATOM 2978 H2 TIP3X 452 -15.129 17.871 13.677 1.00 0.00 SOLV ATOM 2979 OH2 TIP3X 453 0.263 -1.768 2.277 1.00 0.00 SOLV O ATOM 2980 H1 TIP3X 453 -8.662 4.148 4.364 1.00 0.00 SOLV ATOM 2981 H2 TIP3X 453 -9.769 -2.639 -0.560 1.00 0.00 SOLV ATOM 2982 OH2 TIP3X 454 -0.068 1.536 1.431 1.00 0.00 SOLV O ATOM 2983 H1 TIP3X 454 4.644 22.723 11.288 1.00 0.00 SOLV ATOM 2984 H2 TIP3X 454 -25.391 13.875 4.835 1.00 0.00 SOLV ATOM 2985 OH2 TIP3X 455 -6.648 0.397 -1.388 1.00 0.00 SOLV O ATOM 2986 H1 TIP3X 455 -1.084 2.043 -7.324 1.00 0.00 SOLV ATOM 2987 H2 TIP3X 455 -3.334 2.544 0.747 1.00 0.00 SOLV ATOM 2988 OH2 TIP3X 456 -1.606 -2.085 3.526 1.00 0.00 SOLV O ATOM 2989 H1 TIP3X 456 13.060 -8.164 12.811 1.00 0.00 SOLV ATOM 2990 H2 TIP3X 456 -21.136 6.135 -2.441 1.00 0.00 SOLV ATOM 2991 OH2 TIP3X 457 -5.068 -1.837 -2.863 1.00 0.00 SOLV O ATOM 2992 H1 TIP3X 457 -24.083 -7.973 -7.883 1.00 0.00 SOLV ATOM 2993 H2 TIP3X 457 8.028 -23.989 -16.668 1.00 0.00 SOLV ATOM 2994 OH2 TIP3X 458 -5.624 0.300 1.491 1.00 0.00 SOLV O ATOM 2995 H1 TIP3X 458 17.255 -4.253 -10.286 1.00 0.00 SOLV ATOM 2996 H2 TIP3X 458 -1.249 8.297 1.126 1.00 0.00 SOLV ATOM 2997 OH2 TIP3X 459 -4.716 5.058 2.361 1.00 0.00 SOLV O ATOM 2998 H1 TIP3X 459 5.320 1.213 16.726 1.00 0.00 SOLV ATOM 2999 H2 TIP3X 459 -6.632 14.763 -4.956 1.00 0.00 SOLV ATOM 3000 OH2 TIP3X 460 1.675 -0.246 0.073 1.00 0.00 SOLV O ATOM 3001 H1 TIP3X 460 -15.076 1.693 -0.899 1.00 0.00 SOLV ATOM 3002 H2 TIP3X 460 -12.408 -15.606 13.101 1.00 0.00 SOLV ATOM 3003 OH2 TIP3X 461 1.899 -2.359 6.064 1.00 0.00 SOLV O ATOM 3004 H1 TIP3X 461 5.849 -14.368 11.889 1.00 0.00 SOLV ATOM 3005 H2 TIP3X 461 10.688 19.442 -21.363 1.00 0.00 SOLV ATOM 3006 OH2 TIP3X 462 3.304 -1.349 -6.213 1.00 0.00 SOLV O ATOM 3007 H1 TIP3X 462 5.085 -1.904 -3.470 1.00 0.00 SOLV ATOM 3008 H2 TIP3X 462 -1.391 5.252 -1.741 1.00 0.00 SOLV ATOM 3009 OH2 TIP3X 463 4.120 7.448 -4.933 1.00 0.00 SOLV O ATOM 3010 H1 TIP3X 463 -22.787 29.474 -5.658 1.00 0.00 SOLV ATOM 3011 H2 TIP3X 463 -13.127 6.181 -13.768 1.00 0.00 SOLV ATOM 3012 OH2 TIP3X 464 2.027 -1.202 2.557 1.00 0.00 SOLV O ATOM 3013 H1 TIP3X 464 -7.382 -11.930 7.345 1.00 0.00 SOLV ATOM 3014 H2 TIP3X 464 -7.581 13.674 2.583 1.00 0.00 SOLV ATOM 3015 OH2 TIP3X 465 5.291 -2.208 1.345 1.00 0.00 SOLV O ATOM 3016 H1 TIP3X 465 -4.362 20.972 -14.137 1.00 0.00 SOLV ATOM 3017 H2 TIP3X 465 -2.173 4.615 -5.119 1.00 0.00 SOLV ATOM 3018 OH2 TIP3X 466 1.974 -2.847 0.764 1.00 0.00 SOLV O ATOM 3019 H1 TIP3X 466 12.606 8.387 -4.552 1.00 0.00 SOLV ATOM 3020 H2 TIP3X 466 -5.730 -9.074 3.559 1.00 0.00 SOLV ATOM 3021 OH2 TIP3X 467 -6.849 -4.030 3.795 1.00 0.00 SOLV O ATOM 3022 H1 TIP3X 467 -2.335 -13.675 -5.234 1.00 0.00 SOLV ATOM 3023 H2 TIP3X 467 7.016 -22.352 -6.494 1.00 0.00 SOLV ATOM 3024 OH2 TIP3X 468 6.154 -4.669 -2.804 1.00 0.00 SOLV O ATOM 3025 H1 TIP3X 468 -0.495 0.411 -8.185 1.00 0.00 SOLV ATOM 3026 H2 TIP3X 468 -8.115 12.094 -17.672 1.00 0.00 SOLV ATOM 3027 OH2 TIP3X 469 -8.298 -3.217 -4.468 1.00 0.00 SOLV O ATOM 3028 H1 TIP3X 469 -9.127 -12.118 -8.823 1.00 0.00 SOLV ATOM 3029 H2 TIP3X 469 -3.191 -1.642 -4.255 1.00 0.00 SOLV ATOM 3030 OH2 TIP3X 470 0.736 -2.509 4.458 1.00 0.00 SOLV O ATOM 3031 H1 TIP3X 470 1.517 1.661 -5.905 1.00 0.00 SOLV ATOM 3032 H2 TIP3X 470 -12.620 2.313 -1.463 1.00 0.00 SOLV ATOM 3033 OH2 TIP3X 471 -3.275 5.321 -0.850 1.00 0.00 SOLV O ATOM 3034 H1 TIP3X 471 -4.990 2.596 1.081 1.00 0.00 SOLV ATOM 3035 H2 TIP3X 471 -14.722 3.510 -1.189 1.00 0.00 SOLV ATOM 3036 OH2 TIP3X 472 5.844 -1.618 1.095 1.00 0.00 SOLV O ATOM 3037 H1 TIP3X 472 18.769 18.024 13.292 1.00 0.00 SOLV ATOM 3038 H2 TIP3X 472 -2.307 8.271 14.513 1.00 0.00 SOLV ATOM 3039 OH2 TIP3X 473 0.686 3.116 2.012 1.00 0.00 SOLV O ATOM 3040 H1 TIP3X 473 19.529 -6.569 -3.369 1.00 0.00 SOLV ATOM 3041 H2 TIP3X 473 -14.854 -3.750 -9.663 1.00 0.00 SOLV ATOM 3042 OH2 TIP3X 474 -1.454 -1.926 -4.414 1.00 0.00 SOLV O ATOM 3043 H1 TIP3X 474 -7.704 -5.186 -7.108 1.00 0.00 SOLV ATOM 3044 H2 TIP3X 474 18.932 7.788 2.882 1.00 0.00 SOLV ATOM 3045 OH2 TIP3X 475 3.032 -1.967 -2.381 1.00 0.00 SOLV O ATOM 3046 H1 TIP3X 475 -2.894 5.518 1.891 1.00 0.00 SOLV ATOM 3047 H2 TIP3X 475 1.291 -1.385 -2.112 1.00 0.00 SOLV ATOM 3048 OH2 TIP3X 476 1.253 5.523 2.174 1.00 0.00 SOLV O ATOM 3049 H1 TIP3X 476 35.554 17.322 -4.625 1.00 0.00 SOLV ATOM 3050 H2 TIP3X 476 -2.669 -6.987 -15.048 1.00 0.00 SOLV ATOM 3051 OH2 TIP3X 477 -3.666 1.401 3.332 1.00 0.00 SOLV O ATOM 3052 H1 TIP3X 477 -10.345 -12.051 1.723 1.00 0.00 SOLV ATOM 3053 H2 TIP3X 477 -21.182 2.310 -0.594 1.00 0.00 SOLV ATOM 3054 OH2 TIP3X 478 1.068 -3.493 11.740 1.00 0.00 SOLV O ATOM 3055 H1 TIP3X 478 18.543 29.619 -5.148 1.00 0.00 SOLV ATOM 3056 H2 TIP3X 478 -4.503 -4.432 -9.636 1.00 0.00 SOLV ATOM 3057 OH2 TIP3X 479 -5.723 5.330 -0.264 1.00 0.00 SOLV O ATOM 3058 H1 TIP3X 479 6.878 -4.791 -15.671 1.00 0.00 SOLV ATOM 3059 H2 TIP3X 479 0.067 9.174 5.640 1.00 0.00 SOLV ATOM 3060 OH2 TIP3X 480 -2.033 0.177 2.426 1.00 0.00 SOLV O ATOM 3061 H1 TIP3X 480 -6.389 11.178 13.207 1.00 0.00 SOLV ATOM 3062 H2 TIP3X 480 -6.297 -5.783 10.295 1.00 0.00 SOLV ATOM 3063 OH2 TIP3X 481 -1.419 3.902 1.156 1.00 0.00 SOLV O ATOM 3064 H1 TIP3X 481 8.478 14.693 11.880 1.00 0.00 SOLV ATOM 3065 H2 TIP3X 481 -3.385 2.652 -1.216 1.00 0.00 SOLV ATOM 3066 OH2 TIP3X 482 -4.969 -3.373 8.158 1.00 0.00 SOLV O ATOM 3067 H1 TIP3X 482 -4.543 2.044 9.067 1.00 0.00 SOLV ATOM 3068 H2 TIP3X 482 -1.694 -17.074 3.331 1.00 0.00 SOLV ATOM 3069 OH2 TIP3X 483 2.140 0.166 -1.346 1.00 0.00 SOLV O ATOM 3070 H1 TIP3X 483 3.364 -5.652 7.595 1.00 0.00 SOLV ATOM 3071 H2 TIP3X 483 -3.032 -2.185 -2.568 1.00 0.00 SOLV ATOM 3072 OH2 TIP3X 484 -0.648 -2.129 -3.587 1.00 0.00 SOLV O ATOM 3073 H1 TIP3X 484 -14.759 22.548 -19.357 1.00 0.00 SOLV ATOM 3074 H2 TIP3X 484 -19.457 -33.856 0.733 1.00 0.00 SOLV ATOM 3075 OH2 TIP3X 485 2.591 7.658 2.262 1.00 0.00 SOLV O ATOM 3076 H1 TIP3X 485 -14.467 23.099 10.273 1.00 0.00 SOLV ATOM 3077 H2 TIP3X 485 3.594 10.086 1.597 1.00 0.00 SOLV ATOM 3078 OH2 TIP3X 486 4.020 3.566 0.297 1.00 0.00 SOLV O ATOM 3079 H1 TIP3X 486 10.245 8.152 -10.419 1.00 0.00 SOLV ATOM 3080 H2 TIP3X 486 7.231 3.083 13.502 1.00 0.00 SOLV ATOM 3081 OH2 TIP3X 487 -3.270 2.029 0.855 1.00 0.00 SOLV O ATOM 3082 H1 TIP3X 487 -6.547 25.662 -32.455 1.00 0.00 SOLV ATOM 3083 H2 TIP3X 487 -11.119 -9.696 -2.509 1.00 0.00 SOLV ATOM 3084 OH2 TIP3X 488 3.013 2.027 1.722 1.00 0.00 SOLV O ATOM 3085 H1 TIP3X 488 -24.829 7.102 -7.835 1.00 0.00 SOLV ATOM 3086 H2 TIP3X 488 -9.772 -10.588 12.309 1.00 0.00 SOLV ATOM 3087 OH2 TIP3X 489 -1.244 1.666 -1.490 1.00 0.00 SOLV O ATOM 3088 H1 TIP3X 489 -5.584 -9.798 -2.681 1.00 0.00 SOLV ATOM 3089 H2 TIP3X 489 13.990 -25.579 16.588 1.00 0.00 SOLV ATOM 3090 MG MG X 205 -3.563 -0.108 4.798 1.00 0.00 IONSMG ATOM 3091 MG MG X 206 5.409 -0.425 -1.158 1.00 0.00 IONSMG ATOM 3092 C4' SAM X 301 -4.157 1.525 -0.531 1.00 0.00 SAM C ATOM 3093 H4' SAM X 301 3.616 6.714 -5.276 1.00 0.00 SAM ATOM 3094 O4' SAM X 301 1.497 -0.128 0.603 1.00 0.00 SAM O ATOM 3095 C1' SAM X 301 0.386 0.908 4.005 1.00 0.00 SAM C ATOM 3096 H1' SAM X 301 4.448 -10.535 -6.316 1.00 0.00 SAM ATOM 3097 N9 SAM X 301 6.539 -4.039 -0.717 1.00 0.00 SAM N ATOM 3098 C5 SAM X 301 -2.195 -0.454 4.588 1.00 0.00 SAM C ATOM 3099 N7 SAM X 301 6.782 0.311 4.277 1.00 0.00 SAM N ATOM 3100 C8 SAM X 301 3.029 -2.280 -2.541 1.00 0.00 SAM C ATOM 3101 H8 SAM X 301 7.022 22.286 -11.644 1.00 0.00 SAM ATOM 3102 N1 SAM X 301 -4.447 2.761 8.271 1.00 0.00 SAM N ATOM 3103 C2 SAM X 301 0.857 -0.025 -2.319 1.00 0.00 SAM C ATOM 3104 H2 SAM X 301 7.229 -28.146 37.777 1.00 0.00 SAM ATOM 3105 N3 SAM X 301 6.390 8.479 7.781 1.00 0.00 SAM N ATOM 3106 C4 SAM X 301 1.718 4.556 -4.611 1.00 0.00 SAM C ATOM 3107 C6 SAM X 301 0.094 0.863 -3.532 1.00 0.00 SAM C ATOM 3108 N6 SAM X 301 7.020 -10.631 6.541 1.00 0.00 SAM N ATOM 3109 H61 SAM X 301 -15.351 18.342 -8.186 1.00 0.00 SAM ATOM 3110 H62 SAM X 301 16.093 -28.524 -18.210 1.00 0.00 SAM ATOM 3111 C2' SAM X 301 8.356 -0.054 -4.611 1.00 0.00 SAM C ATOM 3112 H2'' SAM X 301 5.607 -6.102 5.727 1.00 0.00 SAM ATOM 3113 O2' SAM X 301 -1.929 5.748 -0.019 1.00 0.00 SAM O ATOM 3114 H2' SAM X 301 -12.803 6.740 -8.012 1.00 0.00 SAM ATOM 3115 N SAM X 301 -1.546 -0.436 -4.832 1.00 0.00 SAM N ATOM 3116 HT1 SAM X 301 -1.291 -3.286 -17.543 1.00 0.00 SAM ATOM 3117 HT2 SAM X 301 14.438 -6.572 -17.634 1.00 0.00 SAM ATOM 3118 HT3 SAM X 301 19.267 -8.592 6.366 1.00 0.00 SAM ATOM 3119 CA SAM X 301 5.083 4.474 -0.044 1.00 0.00 SAM C ATOM 3120 HA SAM X 301 -3.554 -13.114 -1.424 1.00 0.00 SAM ATOM 3121 CB SAM X 301 -5.722 0.990 1.682 1.00 0.00 SAM C ATOM 3122 HB1 SAM X 301 -8.727 -0.909 1.084 1.00 0.00 SAM ATOM 3123 HB2 SAM X 301 -7.817 -0.822 6.838 1.00 0.00 SAM ATOM 3124 CG SAM X 301 3.051 0.039 -9.586 1.00 0.00 SAM C ATOM 3125 HG1 SAM X 301 -4.631 -4.611 -14.789 1.00 0.00 SAM ATOM 3126 HG2 SAM X 301 -17.774 -1.902 2.554 1.00 0.00 SAM ATOM 3127 SD SAM X 301 5.627 0.615 -4.965 1.00 0.00 SAM S ATOM 3128 C5' SAM X 301 -3.178 -1.017 6.979 1.00 0.00 SAM C ATOM 3129 H5' SAM X 301 2.122 -2.642 8.733 1.00 0.00 SAM ATOM 3130 H5'' SAM X 301 -10.267 -22.289 -5.848 1.00 0.00 SAM ATOM 3131 CE SAM X 301 -1.462 2.596 -3.493 1.00 0.00 SAM C ATOM 3132 HE1 SAM X 301 -9.692 -26.425 -0.937 1.00 0.00 SAM ATOM 3133 HE2 SAM X 301 18.684 0.127 -21.860 1.00 0.00 SAM ATOM 3134 HE3 SAM X 301 -12.178 -4.424 -12.772 1.00 0.00 SAM ATOM 3135 C3' SAM X 301 4.517 -0.345 -3.409 1.00 0.00 SAM C ATOM 3136 H3' SAM X 301 7.080 9.182 1.451 1.00 0.00 SAM ATOM 3137 O3' SAM X 301 -2.780 -1.763 -2.839 1.00 0.00 SAM O ATOM 3138 H3T SAM X 301 -2.313 -17.357 2.373 1.00 0.00 SAM ATOM 3139 C SAM X 301 7.850 0.259 3.403 1.00 0.00 SAM C ATOM 3140 OXT SAM X 301 2.294 5.177 -7.335 1.00 0.00 SAM O ATOM 3141 O SAM X 301 2.504 4.679 -0.296 1.00 0.00 SAM O ATOM 3142 OH2 TIP3 1 -4.871 -0.907 2.329 1.00 0.00 WT1 O ATOM 3143 H1 TIP3 1 2.670 -16.987 -11.062 1.00 0.00 WT1 H ATOM 3144 H2 TIP3 1 -12.687 15.456 -13.092 1.00 0.00 WT1 H ATOM 3145 OH2 TIP3 2 2.436 -3.238 4.757 1.00 0.00 WT1 O ATOM 3146 H1 TIP3 2 5.369 1.374 9.920 1.00 0.00 WT1 H ATOM 3147 H2 TIP3 2 22.493 21.393 6.092 1.00 0.00 WT1 H ATOM 3148 OH2 TIP3 3 3.747 2.807 -0.209 1.00 0.00 WT1 O ATOM 3149 H1 TIP3 3 7.850 -9.738 7.019 1.00 0.00 WT1 H ATOM 3150 H2 TIP3 3 4.823 6.663 -3.529 1.00 0.00 WT1 H ATOM 3151 OH2 TIP3 4 -1.109 -0.032 3.028 1.00 0.00 WT1 O ATOM 3152 H1 TIP3 4 -0.996 -4.819 -5.853 1.00 0.00 WT1 H ATOM 3153 H2 TIP3 4 7.618 1.466 1.735 1.00 0.00 WT1 H ATOM 3154 OH2 TIP3 5 -3.336 -4.760 -2.666 1.00 0.00 WT1 O ATOM 3155 H1 TIP3 5 -6.206 -15.789 5.704 1.00 0.00 WT1 H ATOM 3156 H2 TIP3 5 -4.042 2.301 -7.405 1.00 0.00 WT1 H ATOM 3157 OH2 TIP3 6 0.708 -4.111 -5.930 1.00 0.00 WT1 O ATOM 3158 H1 TIP3 6 6.402 8.096 -2.944 1.00 0.00 WT1 H ATOM 3159 H2 TIP3 6 -0.664 -13.213 -4.671 1.00 0.00 WT1 H ATOM 3160 OH2 TIP3 7 -5.491 8.475 0.162 1.00 0.00 WT1 O ATOM 3161 H1 TIP3 7 24.923 -12.729 6.812 1.00 0.00 WT1 H ATOM 3162 H2 TIP3 7 -29.205 -9.987 8.029 1.00 0.00 WT1 H ATOM 3163 OH2 TIP3 8 2.266 0.047 5.384 1.00 0.00 WT1 O ATOM 3164 H1 TIP3 8 11.111 17.625 7.541 1.00 0.00 WT1 H ATOM 3165 H2 TIP3 8 -6.691 -1.566 -16.010 1.00 0.00 WT1 H ATOM 3166 OH2 TIP3 9 2.726 -3.522 1.954 1.00 0.00 WT1 O ATOM 3167 H1 TIP3 9 17.928 -5.833 -18.720 1.00 0.00 WT1 H ATOM 3168 H2 TIP3 9 3.676 -8.029 -8.389 1.00 0.00 WT1 H ATOM 3169 OH2 TIP3 10 6.701 3.439 -2.074 1.00 0.00 WT1 O ATOM 3170 H1 TIP3 10 7.625 4.828 -3.804 1.00 0.00 WT1 H ATOM 3171 H2 TIP3 10 10.756 3.661 21.156 1.00 0.00 WT1 H ATOM 3172 OH2 TIP3 11 -0.037 0.433 2.611 1.00 0.00 WT1 O ATOM 3173 H1 TIP3 11 8.342 6.285 3.084 1.00 0.00 WT1 H ATOM 3174 H2 TIP3 11 -5.456 6.571 8.354 1.00 0.00 WT1 H ATOM 3175 OH2 TIP3 12 2.600 -2.003 -5.879 1.00 0.00 WT1 O ATOM 3176 H1 TIP3 12 -27.373 3.275 -3.051 1.00 0.00 WT1 H ATOM 3177 H2 TIP3 12 13.775 32.871 4.743 1.00 0.00 WT1 H ATOM 3178 OH2 TIP3 13 3.924 -2.293 -2.188 1.00 0.00 WT1 O ATOM 3179 H1 TIP3 13 13.273 16.352 14.730 1.00 0.00 WT1 H ATOM 3180 H2 TIP3 13 5.076 9.366 -0.956 1.00 0.00 WT1 H ATOM 3181 OH2 TIP3 14 4.032 -0.073 0.253 1.00 0.00 WT1 O ATOM 3182 H1 TIP3 14 -3.127 -13.857 -0.635 1.00 0.00 WT1 H ATOM 3183 H2 TIP3 14 16.982 -1.727 -4.013 1.00 0.00 WT1 H ATOM 3184 OH2 TIP3 15 -0.425 0.852 1.002 1.00 0.00 WT1 O ATOM 3185 H1 TIP3 15 -15.385 7.853 13.266 1.00 0.00 WT1 H ATOM 3186 H2 TIP3 15 1.601 -22.254 12.133 1.00 0.00 WT1 H ATOM 3187 OH2 TIP3 16 -1.820 5.562 -3.593 1.00 0.00 WT1 O ATOM 3188 H1 TIP3 16 14.131 8.469 -1.900 1.00 0.00 WT1 H ATOM 3189 H2 TIP3 16 -3.453 -9.501 -0.157 1.00 0.00 WT1 H ATOM 3190 OH2 TIP3 17 -1.898 -1.042 5.353 1.00 0.00 WT1 O ATOM 3191 H1 TIP3 17 -12.112 -27.063 12.465 1.00 0.00 WT1 H ATOM 3192 H2 TIP3 17 -1.920 -1.720 7.790 1.00 0.00 WT1 H ATOM 3193 OH2 TIP3 18 2.550 -1.251 4.134 1.00 0.00 WT1 O ATOM 3194 H1 TIP3 18 5.188 4.658 1.601 1.00 0.00 WT1 H ATOM 3195 H2 TIP3 18 2.816 -16.882 2.534 1.00 0.00 WT1 H ATOM 3196 OH2 TIP3 19 6.403 -0.679 0.311 1.00 0.00 WT1 O ATOM 3197 H1 TIP3 19 -6.155 2.944 15.357 1.00 0.00 WT1 H ATOM 3198 H2 TIP3 19 -1.925 12.280 -9.616 1.00 0.00 WT1 H ATOM 3199 OH2 TIP3 20 2.126 -2.101 -7.050 1.00 0.00 WT1 O ATOM 3200 H1 TIP3 20 0.220 -14.578 7.333 1.00 0.00 WT1 H ATOM 3201 H2 TIP3 20 -20.945 2.517 -0.246 1.00 0.00 WT1 H ATOM 3202 OH2 TIP3 21 -6.154 9.881 -2.619 1.00 0.00 WT1 O ATOM 3203 H1 TIP3 21 -9.639 0.818 3.510 1.00 0.00 WT1 H ATOM 3204 H2 TIP3 21 -24.566 -0.256 0.374 1.00 0.00 WT1 H ATOM 3205 OH2 TIP3 22 -6.671 -2.468 1.161 1.00 0.00 WT1 O ATOM 3206 H1 TIP3 22 10.776 6.663 9.545 1.00 0.00 WT1 H ATOM 3207 H2 TIP3 22 -6.508 -1.978 12.034 1.00 0.00 WT1 H ATOM 3208 OH2 TIP3 23 4.123 -0.391 -0.012 1.00 0.00 WT1 O ATOM 3209 H1 TIP3 23 15.142 6.286 21.684 1.00 0.00 WT1 H ATOM 3210 H2 TIP3 23 13.803 8.033 9.478 1.00 0.00 WT1 H ATOM 3211 OH2 TIP3 24 -3.134 8.622 10.213 1.00 0.00 WT1 O ATOM 3212 H1 TIP3 24 -18.270 24.526 20.222 1.00 0.00 WT1 H ATOM 3213 H2 TIP3 24 -13.167 -0.137 -4.723 1.00 0.00 WT1 H ATOM 3214 OH2 TIP3 25 0.391 -2.977 0.170 1.00 0.00 WT1 O ATOM 3215 H1 TIP3 25 12.619 -12.181 -13.290 1.00 0.00 WT1 H ATOM 3216 H2 TIP3 25 -2.026 11.190 -1.170 1.00 0.00 WT1 H ATOM 3217 OH2 TIP3 26 2.822 1.034 -0.709 1.00 0.00 WT1 O ATOM 3218 H1 TIP3 26 0.618 0.261 8.732 1.00 0.00 WT1 H ATOM 3219 H2 TIP3 26 0.635 -1.531 17.980 1.00 0.00 WT1 H ATOM 3220 OH2 TIP3 27 -1.072 1.928 -1.017 1.00 0.00 WT1 O ATOM 3221 H1 TIP3 27 -3.025 -5.766 -3.960 1.00 0.00 WT1 H ATOM 3222 H2 TIP3 27 5.296 5.204 6.629 1.00 0.00 WT1 H ATOM 3223 OH2 TIP3 28 0.779 -4.856 0.484 1.00 0.00 WT1 O ATOM 3224 H1 TIP3 28 2.040 4.456 -1.308 1.00 0.00 WT1 H ATOM 3225 H2 TIP3 28 4.377 13.905 3.043 1.00 0.00 WT1 H ATOM 3226 OH2 TIP3 29 1.589 -1.730 -2.643 1.00 0.00 WT1 O ATOM 3227 H1 TIP3 29 -2.310 -8.708 3.131 1.00 0.00 WT1 H ATOM 3228 H2 TIP3 29 8.357 4.656 -7.199 1.00 0.00 WT1 H ATOM 3229 OH2 TIP3 30 4.170 2.118 1.071 1.00 0.00 WT1 O ATOM 3230 H1 TIP3 30 -0.453 9.878 4.730 1.00 0.00 WT1 H ATOM 3231 H2 TIP3 30 14.452 7.462 -2.823 1.00 0.00 WT1 H ATOM 3232 OH2 TIP3 31 8.220 -2.566 2.011 1.00 0.00 WT1 O ATOM 3233 H1 TIP3 31 3.754 24.212 6.806 1.00 0.00 WT1 H ATOM 3234 H2 TIP3 31 3.507 2.132 -3.331 1.00 0.00 WT1 H ATOM 3235 OH2 TIP3 32 3.852 -6.719 1.824 1.00 0.00 WT1 O ATOM 3236 H1 TIP3 32 -6.958 -20.621 8.729 1.00 0.00 WT1 H ATOM 3237 H2 TIP3 32 -2.197 -5.788 -14.531 1.00 0.00 WT1 H ATOM 3238 OH2 TIP3 33 3.663 0.492 -6.354 1.00 0.00 WT1 O ATOM 3239 H1 TIP3 33 -3.029 9.547 7.420 1.00 0.00 WT1 H ATOM 3240 H2 TIP3 33 -11.983 -12.246 -0.144 1.00 0.00 WT1 H ATOM 3241 OH2 TIP3 34 2.545 6.006 1.984 1.00 0.00 WT1 O ATOM 3242 H1 TIP3 34 -18.400 5.952 9.616 1.00 0.00 WT1 H ATOM 3243 H2 TIP3 34 12.857 0.593 -15.340 1.00 0.00 WT1 H ATOM 3244 OH2 TIP3 35 0.771 2.544 -4.897 1.00 0.00 WT1 O ATOM 3245 H1 TIP3 35 0.740 -1.303 -25.006 1.00 0.00 WT1 H ATOM 3246 H2 TIP3 35 32.720 16.267 8.782 1.00 0.00 WT1 H ATOM 3247 OH2 TIP3 38 -3.189 -0.062 -2.852 1.00 0.00 WT1 O ATOM 3248 H1 TIP3 38 4.362 -5.681 3.545 1.00 0.00 WT1 H ATOM 3249 H2 TIP3 38 -5.550 -0.160 -6.443 1.00 0.00 WT1 H ATOM 3250 OH2 TIP3 39 -6.451 0.279 -3.101 1.00 0.00 WT1 O ATOM 3251 H1 TIP3 39 -9.736 -1.618 -2.318 1.00 0.00 WT1 H ATOM 3252 H2 TIP3 39 -11.280 -0.482 1.597 1.00 0.00 WT1 H ATOM 3253 OH2 TIP3 40 -0.216 1.731 0.886 1.00 0.00 WT1 O ATOM 3254 H1 TIP3 40 3.357 -1.688 -13.270 1.00 0.00 WT1 H ATOM 3255 H2 TIP3 40 -13.259 -3.861 -11.566 1.00 0.00 WT1 H ATOM 3256 OH2 TIP3 41 4.168 -1.569 -1.957 1.00 0.00 WT1 O ATOM 3257 H1 TIP3 41 -1.679 -21.497 -19.256 1.00 0.00 WT1 H ATOM 3258 H2 TIP3 41 0.943 -14.425 -11.325 1.00 0.00 WT1 H ATOM 3259 OH2 TIP3 42 2.723 -0.521 -1.029 1.00 0.00 WT1 O ATOM 3260 H1 TIP3 42 -8.989 -13.084 -12.650 1.00 0.00 WT1 H ATOM 3261 H2 TIP3 42 -6.230 -17.299 -16.698 1.00 0.00 WT1 H ATOM 3262 OH2 TIP3 43 -0.686 -3.839 0.274 1.00 0.00 WT1 O ATOM 3263 H1 TIP3 43 -21.440 16.994 5.385 1.00 0.00 WT1 H ATOM 3264 H2 TIP3 43 -5.944 17.160 13.063 1.00 0.00 WT1 H ATOM 3265 OH2 TIP3 44 1.330 -0.458 -1.793 1.00 0.00 WT1 O ATOM 3266 H1 TIP3 44 9.888 10.794 19.877 1.00 0.00 WT1 H ATOM 3267 H2 TIP3 44 -17.987 5.545 -6.997 1.00 0.00 WT1 H ATOM 3268 OH2 TIP3 45 6.221 -1.666 2.285 1.00 0.00 WT1 O ATOM 3269 H1 TIP3 45 17.983 4.130 3.534 1.00 0.00 WT1 H ATOM 3270 H2 TIP3 45 2.286 10.303 -16.617 1.00 0.00 WT1 H ATOM 3271 OH2 TIP3 46 -1.038 0.709 -1.194 1.00 0.00 WT1 O ATOM 3272 H1 TIP3 46 -14.086 -15.816 -19.991 1.00 0.00 WT1 H ATOM 3273 H2 TIP3 46 -4.870 7.489 15.441 1.00 0.00 WT1 H ATOM 3274 OH2 TIP3 47 -7.701 -3.965 -1.986 1.00 0.00 WT1 O ATOM 3275 H1 TIP3 47 -18.865 -8.499 9.997 1.00 0.00 WT1 H ATOM 3276 H2 TIP3 47 -0.956 3.695 2.591 1.00 0.00 WT1 H ATOM 3277 OH2 TIP3 48 4.055 -0.129 -4.632 1.00 0.00 WT1 O ATOM 3278 H1 TIP3 48 -29.222 -18.369 3.469 1.00 0.00 WT1 H ATOM 3279 H2 TIP3 48 -14.596 -11.470 -0.709 1.00 0.00 WT1 H ATOM 3280 OH2 TIP3 49 -0.622 -3.233 -1.669 1.00 0.00 WT1 O ATOM 3281 H1 TIP3 49 15.093 -5.023 4.823 1.00 0.00 WT1 H ATOM 3282 H2 TIP3 49 -13.910 -17.973 21.042 1.00 0.00 WT1 H ATOM 3283 OH2 TIP3 50 -0.754 0.416 0.595 1.00 0.00 WT1 O ATOM 3284 H1 TIP3 50 6.829 6.085 -11.482 1.00 0.00 WT1 H ATOM 3285 H2 TIP3 50 -16.074 -6.184 -9.883 1.00 0.00 WT1 H ATOM 3286 OH2 TIP3 51 -1.515 2.670 -4.258 1.00 0.00 WT1 O ATOM 3287 H1 TIP3 51 13.035 6.306 4.353 1.00 0.00 WT1 H ATOM 3288 H2 TIP3 51 7.355 11.233 -13.194 1.00 0.00 WT1 H ATOM 3289 OH2 TIP3 52 0.440 1.730 -3.131 1.00 0.00 WT1 O ATOM 3290 H1 TIP3 52 -2.795 -7.247 -16.242 1.00 0.00 WT1 H ATOM 3291 H2 TIP3 52 -3.810 -2.601 3.369 1.00 0.00 WT1 H ATOM 3292 OH2 TIP3 53 9.141 1.533 -2.109 1.00 0.00 WT1 O ATOM 3293 H1 TIP3 53 8.878 -13.767 -11.641 1.00 0.00 WT1 H ATOM 3294 H2 TIP3 53 7.019 -1.347 -10.244 1.00 0.00 WT1 H ATOM 3295 OH2 TIP3 54 -2.144 -7.068 -1.177 1.00 0.00 WT1 O ATOM 3296 H1 TIP3 54 3.278 -7.813 -5.305 1.00 0.00 WT1 H ATOM 3297 H2 TIP3 54 29.762 2.408 4.527 1.00 0.00 WT1 H ATOM 3298 OH2 TIP3 56 -1.062 -2.880 -1.755 1.00 0.00 WT1 O ATOM 3299 H1 TIP3 56 -6.602 -4.785 2.286 1.00 0.00 WT1 H ATOM 3300 H2 TIP3 56 -6.311 6.384 -0.228 1.00 0.00 WT1 H ATOM 3301 OH2 TIP3 57 1.557 -0.716 -2.174 1.00 0.00 WT1 O ATOM 3302 H1 TIP3 57 12.629 -8.846 24.882 1.00 0.00 WT1 H ATOM 3303 H2 TIP3 57 -10.616 1.579 -5.226 1.00 0.00 WT1 H ATOM 3304 OH2 TIP3 58 6.164 -0.067 -3.932 1.00 0.00 WT1 O ATOM 3305 H1 TIP3 58 8.127 -3.203 -0.038 1.00 0.00 WT1 H ATOM 3306 H2 TIP3 58 8.976 -2.420 -8.409 1.00 0.00 WT1 H ATOM 3307 OH2 TIP3 59 -0.424 -1.260 7.580 1.00 0.00 WT1 O ATOM 3308 H1 TIP3 59 1.817 6.310 -13.354 1.00 0.00 WT1 H ATOM 3309 H2 TIP3 59 -7.128 14.776 17.430 1.00 0.00 WT1 H ATOM 3310 OH2 TIP3 60 1.022 -1.477 -6.052 1.00 0.00 WT1 O ATOM 3311 H1 TIP3 60 8.402 13.393 -22.914 1.00 0.00 WT1 H ATOM 3312 H2 TIP3 60 -1.155 -6.555 -1.118 1.00 0.00 WT1 H ATOM 3313 OH2 TIP3 61 -6.209 -3.522 2.748 1.00 0.00 WT1 O ATOM 3314 H1 TIP3 61 -22.175 34.749 1.112 1.00 0.00 WT1 H ATOM 3315 H2 TIP3 61 -15.363 -13.016 13.420 1.00 0.00 WT1 H ATOM 3316 OH2 TIP3 62 -1.310 -3.434 -6.658 1.00 0.00 WT1 O ATOM 3317 H1 TIP3 62 -10.340 14.186 -14.021 1.00 0.00 WT1 H ATOM 3318 H2 TIP3 62 -2.850 -5.222 12.370 1.00 0.00 WT1 H ATOM 3319 OH2 TIP3 63 0.101 5.211 -1.363 1.00 0.00 WT1 O ATOM 3320 H1 TIP3 63 -0.889 3.499 -0.344 1.00 0.00 WT1 H ATOM 3321 H2 TIP3 63 2.765 5.576 0.193 1.00 0.00 WT1 H ATOM 3322 OH2 TIP3 64 -0.959 3.955 7.822 1.00 0.00 WT1 O ATOM 3323 H1 TIP3 64 -11.652 13.014 7.668 1.00 0.00 WT1 H ATOM 3324 H2 TIP3 64 32.653 -30.357 -1.801 1.00 0.00 WT1 H ATOM 3325 OH2 TIP3 65 2.910 3.159 3.479 1.00 0.00 WT1 O ATOM 3326 H1 TIP3 65 -5.593 9.441 -5.358 1.00 0.00 WT1 H ATOM 3327 H2 TIP3 65 2.200 18.638 -7.244 1.00 0.00 WT1 H ATOM 3328 OH2 TIP3 66 2.969 -7.097 4.891 1.00 0.00 WT1 O ATOM 3329 H1 TIP3 66 -11.267 -2.521 0.587 1.00 0.00 WT1 H ATOM 3330 H2 TIP3 66 3.151 -6.922 4.720 1.00 0.00 WT1 H ATOM 3331 OH2 TIP3 67 -2.982 3.930 2.446 1.00 0.00 WT1 O ATOM 3332 H1 TIP3 67 7.500 -4.373 11.198 1.00 0.00 WT1 H ATOM 3333 H2 TIP3 67 -15.138 -6.575 -0.680 1.00 0.00 WT1 H ATOM 3334 OH2 TIP3 68 7.645 11.568 2.478 1.00 0.00 WT1 O ATOM 3335 H1 TIP3 68 4.736 15.222 -7.025 1.00 0.00 WT1 H ATOM 3336 H2 TIP3 68 6.641 7.433 -14.406 1.00 0.00 WT1 H ATOM 3337 OH2 TIP3 69 0.943 1.267 10.427 1.00 0.00 WT1 O ATOM 3338 H1 TIP3 69 -6.219 16.060 10.299 1.00 0.00 WT1 H ATOM 3339 H2 TIP3 69 1.677 -5.787 7.923 1.00 0.00 WT1 H ATOM 3340 OH2 TIP3 70 0.640 -4.526 6.915 1.00 0.00 WT1 O ATOM 3341 H1 TIP3 70 8.614 17.410 9.621 1.00 0.00 WT1 H ATOM 3342 H2 TIP3 70 7.476 4.382 8.441 1.00 0.00 WT1 H ATOM 3343 OH2 TIP3 71 -0.704 -4.171 -6.671 1.00 0.00 WT1 O ATOM 3344 H1 TIP3 71 -7.712 -9.101 -15.806 1.00 0.00 WT1 H ATOM 3345 H2 TIP3 71 2.782 -1.681 6.083 1.00 0.00 WT1 H ATOM 3346 OH2 TIP3 72 -7.585 -0.934 -5.890 1.00 0.00 WT1 O ATOM 3347 H1 TIP3 72 -2.784 2.763 7.387 1.00 0.00 WT1 H ATOM 3348 H2 TIP3 72 19.065 11.729 -3.261 1.00 0.00 WT1 H ATOM 3349 OH2 TIP3 73 -1.592 0.705 -5.774 1.00 0.00 WT1 O ATOM 3350 H1 TIP3 73 -4.880 -3.904 4.967 1.00 0.00 WT1 H ATOM 3351 H2 TIP3 73 -15.034 2.513 22.562 1.00 0.00 WT1 H ATOM 3352 OH2 TIP3 74 5.189 -1.144 -1.099 1.00 0.00 WT1 O ATOM 3353 H1 TIP3 74 -0.529 11.589 -0.289 1.00 0.00 WT1 H ATOM 3354 H2 TIP3 74 -1.579 6.082 -1.865 1.00 0.00 WT1 H ATOM 3355 OH2 TIP3 75 0.267 0.233 0.941 1.00 0.00 WT1 O ATOM 3356 H1 TIP3 75 7.796 7.587 -2.106 1.00 0.00 WT1 H ATOM 3357 H2 TIP3 75 -15.043 -5.428 10.457 1.00 0.00 WT1 H ATOM 3358 OH2 TIP3 76 2.246 -4.251 -1.869 1.00 0.00 WT1 O ATOM 3359 H1 TIP3 76 -21.567 -5.256 0.664 1.00 0.00 WT1 H ATOM 3360 H2 TIP3 76 5.037 -23.864 23.023 1.00 0.00 WT1 H ATOM 3361 OH2 TIP3 77 4.883 3.983 -1.596 1.00 0.00 WT1 O ATOM 3362 H1 TIP3 77 11.099 -2.361 6.890 1.00 0.00 WT1 H ATOM 3363 H2 TIP3 77 -0.879 -7.708 5.755 1.00 0.00 WT1 H ATOM 3364 OH2 TIP3 78 -11.175 1.608 -3.033 1.00 0.00 WT1 O ATOM 3365 H1 TIP3 78 -44.071 3.045 -19.537 1.00 0.00 WT1 H ATOM 3366 H2 TIP3 78 -13.024 1.459 6.166 1.00 0.00 WT1 H ATOM 3367 OH2 TIP3 79 -0.109 0.150 -1.693 1.00 0.00 WT1 O ATOM 3368 H1 TIP3 79 -5.953 -1.358 15.688 1.00 0.00 WT1 H ATOM 3369 H2 TIP3 79 3.687 1.420 25.072 1.00 0.00 WT1 H ATOM 3370 OH2 TIP3 80 -6.443 0.720 -7.015 1.00 0.00 WT1 O ATOM 3371 H1 TIP3 80 -9.419 15.709 -5.437 1.00 0.00 WT1 H ATOM 3372 H2 TIP3 80 -1.280 -16.200 -13.511 1.00 0.00 WT1 H ATOM 3373 OH2 TIP3 81 5.832 2.742 3.555 1.00 0.00 WT1 O ATOM 3374 H1 TIP3 81 9.223 -23.875 4.351 1.00 0.00 WT1 H ATOM 3375 H2 TIP3 81 6.782 24.454 2.472 1.00 0.00 WT1 H ATOM 3376 OH2 TIP3 82 -6.891 1.220 -2.790 1.00 0.00 WT1 O ATOM 3377 H1 TIP3 82 -31.929 -10.391 -11.670 1.00 0.00 WT1 H ATOM 3378 H2 TIP3 82 -7.979 -4.805 32.795 1.00 0.00 WT1 H ATOM 3379 OH2 TIP3 83 -3.701 8.571 2.769 1.00 0.00 WT1 O ATOM 3380 H1 TIP3 83 1.674 -3.955 -29.516 1.00 0.00 WT1 H ATOM 3381 H2 TIP3 83 6.590 31.250 0.447 1.00 0.00 WT1 H ATOM 3382 OH2 TIP3 84 -1.129 2.419 0.934 1.00 0.00 WT1 O ATOM 3383 H1 TIP3 84 8.833 -19.250 -8.811 1.00 0.00 WT1 H ATOM 3384 H2 TIP3 84 -0.650 -1.304 -2.279 1.00 0.00 WT1 H ATOM 3385 OH2 TIP3 85 2.092 0.419 5.527 1.00 0.00 WT1 O ATOM 3386 H1 TIP3 85 6.652 -7.257 5.338 1.00 0.00 WT1 H ATOM 3387 H2 TIP3 85 6.777 7.427 4.761 1.00 0.00 WT1 H ATOM 3388 OH2 TIP3 86 5.287 3.750 -1.081 1.00 0.00 WT1 O ATOM 3389 H1 TIP3 86 -13.703 -8.950 -3.954 1.00 0.00 WT1 H ATOM 3390 H2 TIP3 86 25.544 5.770 -0.601 1.00 0.00 WT1 H ATOM 3391 OH2 TIP3 87 0.618 -4.065 -5.300 1.00 0.00 WT1 O ATOM 3392 H1 TIP3 87 2.533 -1.509 -8.792 1.00 0.00 WT1 H ATOM 3393 H2 TIP3 87 -7.414 -7.598 3.390 1.00 0.00 WT1 H ATOM 3394 OH2 TIP3 88 -2.753 4.020 -0.651 1.00 0.00 WT1 O ATOM 3395 H1 TIP3 88 -31.869 -16.449 -7.575 1.00 0.00 WT1 H ATOM 3396 H2 TIP3 88 -20.633 3.310 17.790 1.00 0.00 WT1 H ATOM 3397 OH2 TIP3 89 -0.120 -1.008 0.572 1.00 0.00 WT1 O ATOM 3398 H1 TIP3 89 -1.401 -0.842 3.141 1.00 0.00 WT1 H ATOM 3399 H2 TIP3 89 -4.130 -6.236 2.543 1.00 0.00 WT1 H ATOM 3400 OH2 TIP3 90 2.238 8.471 4.969 1.00 0.00 WT1 O ATOM 3401 H1 TIP3 90 0.941 7.019 -5.900 1.00 0.00 WT1 H ATOM 3402 H2 TIP3 90 10.212 22.579 15.824 1.00 0.00 WT1 H ATOM 3403 OH2 TIP3 91 1.680 -5.420 1.690 1.00 0.00 WT1 O ATOM 3404 H1 TIP3 91 -6.965 -17.811 1.014 1.00 0.00 WT1 H ATOM 3405 H2 TIP3 91 -0.684 5.173 11.722 1.00 0.00 WT1 H ATOM 3406 OH2 TIP3 92 3.390 -3.378 2.864 1.00 0.00 WT1 O ATOM 3407 H1 TIP3 92 2.082 -36.181 10.724 1.00 0.00 WT1 H ATOM 3408 H2 TIP3 92 2.430 -10.602 6.433 1.00 0.00 WT1 H ATOM 3409 OH2 TIP3 93 1.582 0.129 -2.804 1.00 0.00 WT1 O ATOM 3410 H1 TIP3 93 -0.483 2.400 -2.724 1.00 0.00 WT1 H ATOM 3411 H2 TIP3 93 4.393 -12.788 -3.516 1.00 0.00 WT1 H ATOM 3412 OH2 TIP3 94 -0.624 5.758 -3.806 1.00 0.00 WT1 O ATOM 3413 H1 TIP3 94 -17.267 7.855 -0.300 1.00 0.00 WT1 H ATOM 3414 H2 TIP3 94 -31.457 10.436 6.150 1.00 0.00 WT1 H ATOM 3415 OH2 TIP3 95 -0.462 -1.260 0.008 1.00 0.00 WT1 O ATOM 3416 H1 TIP3 95 0.673 6.670 2.932 1.00 0.00 WT1 H ATOM 3417 H2 TIP3 95 -4.215 -1.118 2.414 1.00 0.00 WT1 H ATOM 3418 OH2 TIP3 96 -4.965 -8.722 0.126 1.00 0.00 WT1 O ATOM 3419 H1 TIP3 96 -8.290 12.395 18.918 1.00 0.00 WT1 H ATOM 3420 H2 TIP3 96 -3.295 -21.024 2.442 1.00 0.00 WT1 H ATOM 3421 OH2 TIP3 97 1.800 -2.207 1.253 1.00 0.00 WT1 O ATOM 3422 H1 TIP3 97 -21.823 24.796 13.160 1.00 0.00 WT1 H ATOM 3423 H2 TIP3 97 -4.240 -13.752 -20.498 1.00 0.00 WT1 H ATOM 3424 OH2 TIP3 98 2.236 -2.380 0.675 1.00 0.00 WT1 O ATOM 3425 H1 TIP3 98 11.858 2.744 7.864 1.00 0.00 WT1 H ATOM 3426 H2 TIP3 98 -1.022 -10.545 1.252 1.00 0.00 WT1 H ATOM 3427 OH2 TIP3 99 -4.004 1.714 -1.752 1.00 0.00 WT1 O ATOM 3428 H1 TIP3 99 5.164 -17.846 8.350 1.00 0.00 WT1 H ATOM 3429 H2 TIP3 99 6.720 28.226 23.306 1.00 0.00 WT1 H ATOM 3430 OH2 TIP3 100 -2.602 -8.015 -4.542 1.00 0.00 WT1 O ATOM 3431 H1 TIP3 100 5.930 2.267 -24.672 1.00 0.00 WT1 H ATOM 3432 H2 TIP3 100 -15.725 11.721 2.233 1.00 0.00 WT1 H ATOM 3433 OH2 TIP3 101 -0.790 -0.086 -10.097 1.00 0.00 WT1 O ATOM 3434 H1 TIP3 101 -7.134 -7.240 -21.860 1.00 0.00 WT1 H ATOM 3435 H2 TIP3 101 8.134 12.775 8.897 1.00 0.00 WT1 H ATOM 3436 OH2 TIP3 102 2.755 0.381 -3.465 1.00 0.00 WT1 O ATOM 3437 H1 TIP3 102 2.318 -2.975 -8.932 1.00 0.00 WT1 H ATOM 3438 H2 TIP3 102 3.284 13.171 5.671 1.00 0.00 WT1 H ATOM 3439 OH2 TIP3 103 3.848 0.144 3.886 1.00 0.00 WT1 O ATOM 3440 H1 TIP3 103 8.275 -13.920 2.854 1.00 0.00 WT1 H ATOM 3441 H2 TIP3 103 11.392 -15.100 8.541 1.00 0.00 WT1 H ATOM 3442 OH2 TIP3 104 -2.989 -1.990 -0.241 1.00 0.00 WT1 O ATOM 3443 H1 TIP3 104 9.431 12.518 -20.650 1.00 0.00 WT1 H ATOM 3444 H2 TIP3 104 -10.536 7.318 -5.490 1.00 0.00 WT1 H ATOM 3445 OH2 TIP3 105 1.566 -7.953 -3.179 1.00 0.00 WT1 O ATOM 3446 H1 TIP3 105 -2.607 -7.288 -6.862 1.00 0.00 WT1 H ATOM 3447 H2 TIP3 105 -6.145 -16.544 0.688 1.00 0.00 WT1 H ATOM 3448 OH2 TIP3 106 2.189 -10.099 -0.786 1.00 0.00 WT1 O ATOM 3449 H1 TIP3 106 7.819 -7.958 2.166 1.00 0.00 WT1 H ATOM 3450 H2 TIP3 106 -1.798 9.777 -7.744 1.00 0.00 WT1 H ATOM 3451 OH2 TIP3 107 4.403 4.376 10.720 1.00 0.00 WT1 O ATOM 3452 H1 TIP3 107 18.358 17.003 4.274 1.00 0.00 WT1 H ATOM 3453 H2 TIP3 107 23.296 2.614 -24.168 1.00 0.00 WT1 H ATOM 3454 OH2 TIP3 108 -4.564 1.395 0.033 1.00 0.00 WT1 O ATOM 3455 H1 TIP3 108 -23.016 -25.400 -19.502 1.00 0.00 WT1 H ATOM 3456 H2 TIP3 108 13.040 6.496 1.307 1.00 0.00 WT1 H ATOM 3457 OH2 TIP3 109 0.017 0.129 1.828 1.00 0.00 WT1 O ATOM 3458 H1 TIP3 109 -1.596 -9.861 4.825 1.00 0.00 WT1 H ATOM 3459 H2 TIP3 109 5.211 2.300 -5.857 1.00 0.00 WT1 H ATOM 3460 OH2 TIP3 110 4.869 1.142 2.432 1.00 0.00 WT1 O ATOM 3461 H1 TIP3 110 11.490 11.326 2.808 1.00 0.00 WT1 H ATOM 3462 H2 TIP3 110 8.067 -11.540 -1.079 1.00 0.00 WT1 H ATOM 3463 OH2 TIP3 111 5.128 2.875 -1.118 1.00 0.00 WT1 O ATOM 3464 H1 TIP3 111 4.888 4.509 0.924 1.00 0.00 WT1 H ATOM 3465 H2 TIP3 111 0.252 0.418 21.046 1.00 0.00 WT1 H ATOM 3466 OH2 TIP3 112 0.216 -2.549 -6.298 1.00 0.00 WT1 O ATOM 3467 H1 TIP3 112 2.123 1.507 -8.880 1.00 0.00 WT1 H ATOM 3468 H2 TIP3 112 -8.384 31.909 29.880 1.00 0.00 WT1 H ATOM 3469 OH2 TIP3 113 -2.445 -3.178 0.981 1.00 0.00 WT1 O ATOM 3470 H1 TIP3 113 -25.232 -7.394 6.090 1.00 0.00 WT1 H ATOM 3471 H2 TIP3 113 0.311 -10.171 22.767 1.00 0.00 WT1 H ATOM 3472 OH2 TIP3 114 7.510 -1.907 -1.272 1.00 0.00 WT1 O ATOM 3473 H1 TIP3 114 10.715 -22.015 -1.924 1.00 0.00 WT1 H ATOM 3474 H2 TIP3 114 14.059 3.840 -2.697 1.00 0.00 WT1 H ATOM 3475 OH2 TIP3 115 4.578 6.609 0.722 1.00 0.00 WT1 O ATOM 3476 H1 TIP3 115 -11.073 -5.280 -10.244 1.00 0.00 WT1 H ATOM 3477 H2 TIP3 115 13.916 10.559 -13.665 1.00 0.00 WT1 H ATOM 3478 OH2 TIP3 116 -3.558 -3.240 -5.880 1.00 0.00 WT1 O ATOM 3479 H1 TIP3 116 -28.797 24.467 -10.904 1.00 0.00 WT1 H ATOM 3480 H2 TIP3 116 7.403 19.954 -16.318 1.00 0.00 WT1 H ATOM 3481 OH2 TIP3 117 0.370 0.128 5.607 1.00 0.00 WT1 O ATOM 3482 H1 TIP3 117 -3.344 23.794 -2.354 1.00 0.00 WT1 H ATOM 3483 H2 TIP3 117 -0.239 -5.900 8.106 1.00 0.00 WT1 H ATOM 3484 OH2 TIP3 118 -7.072 3.665 0.185 1.00 0.00 WT1 O ATOM 3485 H1 TIP3 118 -13.482 -0.845 11.068 1.00 0.00 WT1 H ATOM 3486 H2 TIP3 118 3.238 -5.065 -7.309 1.00 0.00 WT1 H ATOM 3487 OH2 TIP3 119 -5.051 -0.793 0.119 1.00 0.00 WT1 O ATOM 3488 H1 TIP3 119 -2.723 -3.177 -2.862 1.00 0.00 WT1 H ATOM 3489 H2 TIP3 119 -7.461 2.624 -2.732 1.00 0.00 WT1 H ATOM 3490 OH2 TIP3 120 -3.772 1.661 1.413 1.00 0.00 WT1 O ATOM 3491 H1 TIP3 120 -3.025 1.448 -3.185 1.00 0.00 WT1 H ATOM 3492 H2 TIP3 120 1.509 -6.531 6.214 1.00 0.00 WT1 H ATOM 3493 OH2 TIP3 121 -2.169 -5.553 6.935 1.00 0.00 WT1 O ATOM 3494 H1 TIP3 121 11.434 0.591 -2.640 1.00 0.00 WT1 H ATOM 3495 H2 TIP3 121 -11.953 7.037 8.788 1.00 0.00 WT1 H ATOM 3496 OH2 TIP3 122 -2.371 0.374 3.211 1.00 0.00 WT1 O ATOM 3497 H1 TIP3 122 10.097 -5.282 -2.682 1.00 0.00 WT1 H ATOM 3498 H2 TIP3 122 -9.207 4.137 19.600 1.00 0.00 WT1 H ATOM 3499 OH2 TIP3 123 0.515 -7.688 3.208 1.00 0.00 WT1 O ATOM 3500 H1 TIP3 123 -13.864 1.214 -5.172 1.00 0.00 WT1 H ATOM 3501 H2 TIP3 123 15.484 6.368 2.670 1.00 0.00 WT1 H ATOM 3502 OH2 TIP3 124 5.837 3.532 -3.771 1.00 0.00 WT1 O ATOM 3503 H1 TIP3 124 -3.075 6.466 6.922 1.00 0.00 WT1 H ATOM 3504 H2 TIP3 124 -27.728 -3.232 -23.477 1.00 0.00 WT1 H ATOM 3505 OH2 TIP3 125 2.606 4.369 1.537 1.00 0.00 WT1 O ATOM 3506 H1 TIP3 125 -29.788 -10.748 -14.144 1.00 0.00 WT1 H ATOM 3507 H2 TIP3 125 19.897 9.245 1.566 1.00 0.00 WT1 H ATOM 3508 OH2 TIP3 126 -1.181 0.840 1.384 1.00 0.00 WT1 O ATOM 3509 H1 TIP3 126 -3.337 -6.134 -11.128 1.00 0.00 WT1 H ATOM 3510 H2 TIP3 126 -1.570 0.276 0.019 1.00 0.00 WT1 H ATOM 3511 OH2 TIP3 127 1.668 2.193 0.380 1.00 0.00 WT1 O ATOM 3512 H1 TIP3 127 8.340 1.343 6.167 1.00 0.00 WT1 H ATOM 3513 H2 TIP3 127 4.609 1.992 -1.831 1.00 0.00 WT1 H ATOM 3514 OH2 TIP3 128 3.620 5.525 1.644 1.00 0.00 WT1 O ATOM 3515 H1 TIP3 128 7.798 -2.741 -3.368 1.00 0.00 WT1 H ATOM 3516 H2 TIP3 128 -4.949 7.813 -14.387 1.00 0.00 WT1 H ATOM 3517 OH2 TIP3 129 3.422 1.712 0.181 1.00 0.00 WT1 O ATOM 3518 H1 TIP3 129 -3.249 1.454 -10.250 1.00 0.00 WT1 H ATOM 3519 H2 TIP3 129 12.101 -0.960 -7.887 1.00 0.00 WT1 H ATOM 3520 OH2 TIP3 130 -3.173 1.770 -2.633 1.00 0.00 WT1 O ATOM 3521 H1 TIP3 130 10.412 -8.887 -5.406 1.00 0.00 WT1 H ATOM 3522 H2 TIP3 130 1.195 10.986 -4.196 1.00 0.00 WT1 H ATOM 3523 OH2 TIP3 131 6.203 2.633 -1.313 1.00 0.00 WT1 O ATOM 3524 H1 TIP3 131 4.114 0.310 -3.060 1.00 0.00 WT1 H ATOM 3525 H2 TIP3 131 -4.169 -9.310 5.752 1.00 0.00 WT1 H ATOM 3526 OH2 TIP3 132 -7.889 6.533 2.608 1.00 0.00 WT1 O ATOM 3527 H1 TIP3 132 -8.807 3.446 14.654 1.00 0.00 WT1 H ATOM 3528 H2 TIP3 132 -22.934 -7.309 27.673 1.00 0.00 WT1 H ATOM 3529 OH2 TIP3 133 0.699 4.357 -6.497 1.00 0.00 WT1 O ATOM 3530 H1 TIP3 133 -0.629 -2.682 -11.005 1.00 0.00 WT1 H ATOM 3531 H2 TIP3 133 3.696 9.993 -0.951 1.00 0.00 WT1 H ATOM 3532 OH2 TIP3 134 2.614 -0.750 -1.272 1.00 0.00 WT1 O ATOM 3533 H1 TIP3 134 7.367 -1.554 -5.111 1.00 0.00 WT1 H ATOM 3534 H2 TIP3 134 -14.410 -8.986 5.999 1.00 0.00 WT1 H ATOM 3535 OH2 TIP3 135 -5.365 -0.598 0.560 1.00 0.00 WT1 O ATOM 3536 H1 TIP3 135 5.184 -29.139 -5.741 1.00 0.00 WT1 H ATOM 3537 H2 TIP3 135 -41.448 17.907 12.536 1.00 0.00 WT1 H ATOM 3538 OH2 TIP3 136 1.692 -1.787 -1.189 1.00 0.00 WT1 O ATOM 3539 H1 TIP3 136 -3.021 -21.546 3.072 1.00 0.00 WT1 H ATOM 3540 H2 TIP3 136 2.553 -13.957 4.157 1.00 0.00 WT1 H ATOM 3541 OH2 TIP3 137 -0.737 2.275 0.828 1.00 0.00 WT1 O ATOM 3542 H1 TIP3 137 31.075 15.562 0.700 1.00 0.00 WT1 H ATOM 3543 H2 TIP3 137 -10.575 1.097 17.129 1.00 0.00 WT1 H ATOM 3544 OH2 TIP3 138 -3.875 -3.632 1.429 1.00 0.00 WT1 O ATOM 3545 H1 TIP3 138 -3.942 16.839 -10.621 1.00 0.00 WT1 H ATOM 3546 H2 TIP3 138 -0.904 3.758 24.097 1.00 0.00 WT1 H ATOM 3547 OH2 TIP3 139 1.960 3.819 -4.704 1.00 0.00 WT1 O ATOM 3548 H1 TIP3 139 14.737 9.689 2.044 1.00 0.00 WT1 H ATOM 3549 H2 TIP3 139 -6.927 -0.504 -9.171 1.00 0.00 WT1 H ATOM 3550 OH2 TIP3 140 0.744 0.369 3.878 1.00 0.00 WT1 O ATOM 3551 H1 TIP3 140 -1.160 1.730 6.446 1.00 0.00 WT1 H ATOM 3552 H2 TIP3 140 1.535 4.560 -6.298 1.00 0.00 WT1 H ATOM 3553 OH2 TIP3 141 6.902 2.750 3.687 1.00 0.00 WT1 O ATOM 3554 H1 TIP3 141 -0.357 17.953 -2.149 1.00 0.00 WT1 H ATOM 3555 H2 TIP3 141 15.672 -15.318 10.603 1.00 0.00 WT1 H ATOM 3556 OH2 TIP3 142 -9.271 -3.405 -2.298 1.00 0.00 WT1 O ATOM 3557 H1 TIP3 142 -9.747 -2.971 -0.884 1.00 0.00 WT1 H ATOM 3558 H2 TIP3 142 -5.068 -9.447 -8.185 1.00 0.00 WT1 H ATOM 3559 OH2 TIP3 143 3.192 3.792 -2.709 1.00 0.00 WT1 O ATOM 3560 H1 TIP3 143 12.591 -13.803 3.632 1.00 0.00 WT1 H ATOM 3561 H2 TIP3 143 0.033 1.781 -23.187 1.00 0.00 WT1 H ATOM 3562 OH2 TIP3 144 -1.110 2.193 0.935 1.00 0.00 WT1 O ATOM 3563 H1 TIP3 144 -15.895 24.328 -4.510 1.00 0.00 WT1 H ATOM 3564 H2 TIP3 144 2.538 -4.113 1.344 1.00 0.00 WT1 H ATOM 3565 OH2 TIP3 145 -2.595 0.969 1.525 1.00 0.00 WT1 O ATOM 3566 H1 TIP3 145 -18.228 -4.165 14.986 1.00 0.00 WT1 H ATOM 3567 H2 TIP3 145 2.638 11.037 -16.728 1.00 0.00 WT1 H ATOM 3568 OH2 TIP3 146 2.139 -1.131 -2.191 1.00 0.00 WT1 O ATOM 3569 H1 TIP3 146 0.657 5.272 23.870 1.00 0.00 WT1 H ATOM 3570 H2 TIP3 146 -6.246 5.598 -0.579 1.00 0.00 WT1 H ATOM 3571 OH2 TIP3 147 -3.307 -0.495 -2.491 1.00 0.00 WT1 O ATOM 3572 H1 TIP3 147 6.251 -7.855 5.926 1.00 0.00 WT1 H ATOM 3573 H2 TIP3 147 -2.885 34.959 -22.147 1.00 0.00 WT1 H ATOM 3574 OH2 TIP3 148 2.968 2.155 -4.615 1.00 0.00 WT1 O ATOM 3575 H1 TIP3 148 0.579 0.236 -4.945 1.00 0.00 WT1 H ATOM 3576 H2 TIP3 148 10.799 5.783 -5.018 1.00 0.00 WT1 H ATOM 3577 OH2 TIP3 149 -3.401 -1.217 -5.444 1.00 0.00 WT1 O ATOM 3578 H1 TIP3 149 -14.264 3.769 -6.495 1.00 0.00 WT1 H ATOM 3579 H2 TIP3 149 -30.147 -14.549 -15.588 1.00 0.00 WT1 H ATOM 3580 OH2 TIP3 150 -2.382 2.567 -1.701 1.00 0.00 WT1 O ATOM 3581 H1 TIP3 150 -8.391 -14.305 5.546 1.00 0.00 WT1 H ATOM 3582 H2 TIP3 150 -4.050 -7.660 -13.028 1.00 0.00 WT1 H ATOM 3583 OH2 TIP3 151 -0.192 -5.810 -2.350 1.00 0.00 WT1 O ATOM 3584 H1 TIP3 151 8.935 -2.841 -1.642 1.00 0.00 WT1 H ATOM 3585 H2 TIP3 151 -1.087 5.252 -11.024 1.00 0.00 WT1 H ATOM 3586 OH2 TIP3 152 2.567 -0.226 3.628 1.00 0.00 WT1 O ATOM 3587 H1 TIP3 152 -14.326 15.844 -0.716 1.00 0.00 WT1 H ATOM 3588 H2 TIP3 152 2.123 13.864 -5.725 1.00 0.00 WT1 H ATOM 3589 OH2 TIP3 153 3.464 -1.815 2.082 1.00 0.00 WT1 O ATOM 3590 H1 TIP3 153 1.539 -0.770 1.893 1.00 0.00 WT1 H ATOM 3591 H2 TIP3 153 -8.931 -2.680 2.409 1.00 0.00 WT1 H ATOM 3592 OH2 TIP3 154 -0.679 3.110 -0.321 1.00 0.00 WT1 O ATOM 3593 H1 TIP3 154 1.079 11.153 5.599 1.00 0.00 WT1 H ATOM 3594 H2 TIP3 154 -9.425 -31.199 4.738 1.00 0.00 WT1 H ATOM 3595 OH2 TIP3 155 2.182 -0.277 -6.321 1.00 0.00 WT1 O ATOM 3596 H1 TIP3 155 2.185 -10.337 -2.357 1.00 0.00 WT1 H ATOM 3597 H2 TIP3 155 -9.366 4.006 -1.314 1.00 0.00 WT1 H ATOM 3598 OH2 TIP3 156 0.494 1.018 -3.039 1.00 0.00 WT1 O ATOM 3599 H1 TIP3 156 -14.158 28.117 13.558 1.00 0.00 WT1 H ATOM 3600 H2 TIP3 156 -7.079 8.029 -0.088 1.00 0.00 WT1 H ATOM 3601 OH2 TIP3 157 1.170 2.913 0.698 1.00 0.00 WT1 O ATOM 3602 H1 TIP3 157 14.377 -3.340 8.321 1.00 0.00 WT1 H ATOM 3603 H2 TIP3 157 -3.607 11.010 -1.267 1.00 0.00 WT1 H ATOM 3604 OH2 TIP3 158 0.308 4.488 1.120 1.00 0.00 WT1 O ATOM 3605 H1 TIP3 158 -6.150 0.946 4.549 1.00 0.00 WT1 H ATOM 3606 H2 TIP3 158 -0.519 9.614 -6.639 1.00 0.00 WT1 H ATOM 3607 OH2 TIP3 159 -1.605 -4.305 -5.978 1.00 0.00 WT1 O ATOM 3608 H1 TIP3 159 10.502 1.233 -6.587 1.00 0.00 WT1 H ATOM 3609 H2 TIP3 159 -29.448 -9.063 -10.866 1.00 0.00 WT1 H ATOM 3610 OH2 TIP3 160 4.683 -1.861 1.412 1.00 0.00 WT1 O ATOM 3611 H1 TIP3 160 -6.869 -2.000 -2.860 1.00 0.00 WT1 H ATOM 3612 H2 TIP3 160 4.107 12.236 -9.201 1.00 0.00 WT1 H ATOM 3613 OH2 TIP3 161 -0.725 5.251 -7.024 1.00 0.00 WT1 O ATOM 3614 H1 TIP3 161 -2.977 4.557 -6.276 1.00 0.00 WT1 H ATOM 3615 H2 TIP3 161 20.363 7.384 10.594 1.00 0.00 WT1 H ATOM 3616 OH2 TIP3 162 -5.616 -5.451 2.952 1.00 0.00 WT1 O ATOM 3617 H1 TIP3 162 -11.398 -2.388 -2.298 1.00 0.00 WT1 H ATOM 3618 H2 TIP3 162 -2.145 -8.111 -1.791 1.00 0.00 WT1 H ATOM 3619 OH2 TIP3 163 -4.095 3.698 -5.874 1.00 0.00 WT1 O ATOM 3620 H1 TIP3 163 -22.786 -11.156 -10.695 1.00 0.00 WT1 H ATOM 3621 H2 TIP3 163 -6.995 4.320 10.124 1.00 0.00 WT1 H ATOM 3622 OH2 TIP3 164 3.965 -0.955 3.513 1.00 0.00 WT1 O ATOM 3623 H1 TIP3 164 -22.577 25.329 13.349 1.00 0.00 WT1 H ATOM 3624 H2 TIP3 164 6.455 0.191 2.918 1.00 0.00 WT1 H ATOM 3625 OH2 TIP3 165 -0.107 4.410 3.008 1.00 0.00 WT1 O ATOM 3626 H1 TIP3 165 -5.650 -4.343 25.399 1.00 0.00 WT1 H ATOM 3627 H2 TIP3 165 3.536 -2.315 19.314 1.00 0.00 WT1 H ATOM 3628 OH2 TIP3 166 -0.012 -6.363 -10.313 1.00 0.00 WT1 O ATOM 3629 H1 TIP3 166 -1.485 -11.708 -16.995 1.00 0.00 WT1 H ATOM 3630 H2 TIP3 166 6.823 12.688 -13.574 1.00 0.00 WT1 H ATOM 3631 OH2 TIP3 167 -2.508 1.504 -2.898 1.00 0.00 WT1 O ATOM 3632 H1 TIP3 167 8.356 -9.343 -2.860 1.00 0.00 WT1 H ATOM 3633 H2 TIP3 167 -7.060 16.560 2.185 1.00 0.00 WT1 H ATOM 3634 OH2 TIP3 168 -3.312 -5.242 2.934 1.00 0.00 WT1 O ATOM 3635 H1 TIP3 168 -17.220 5.025 -3.673 1.00 0.00 WT1 H ATOM 3636 H2 TIP3 168 15.961 -13.730 -14.700 1.00 0.00 WT1 H ATOM 3637 OH2 TIP3 169 -4.267 0.978 -4.815 1.00 0.00 WT1 O ATOM 3638 H1 TIP3 169 3.750 9.355 -0.952 1.00 0.00 WT1 H ATOM 3639 H2 TIP3 169 -0.997 13.354 -8.648 1.00 0.00 WT1 H ATOM 3640 OH2 TIP3 170 3.010 4.556 -3.316 1.00 0.00 WT1 O ATOM 3641 H1 TIP3 170 5.921 10.374 36.443 1.00 0.00 WT1 H ATOM 3642 H2 TIP3 170 -1.346 16.392 24.069 1.00 0.00 WT1 H ATOM 3643 OH2 TIP3 171 -0.892 0.732 -3.344 1.00 0.00 WT1 O ATOM 3644 H1 TIP3 171 -3.047 3.788 -23.529 1.00 0.00 WT1 H ATOM 3645 H2 TIP3 171 -3.363 -21.766 -2.548 1.00 0.00 WT1 H ATOM 3646 OH2 TIP3 172 -0.205 1.188 -2.005 1.00 0.00 WT1 O ATOM 3647 H1 TIP3 172 0.076 2.344 -20.159 1.00 0.00 WT1 H ATOM 3648 H2 TIP3 172 -0.217 9.803 -10.602 1.00 0.00 WT1 H ATOM 3649 OH2 TIP3 173 6.768 -1.471 -0.616 1.00 0.00 WT1 O ATOM 3650 H1 TIP3 173 14.297 -0.414 -15.710 1.00 0.00 WT1 H ATOM 3651 H2 TIP3 173 14.211 -20.172 0.845 1.00 0.00 WT1 H ATOM 3652 OH2 TIP3 174 4.106 0.862 4.284 1.00 0.00 WT1 O ATOM 3653 H1 TIP3 174 -7.999 -2.993 6.795 1.00 0.00 WT1 H ATOM 3654 H2 TIP3 174 -8.083 4.766 3.811 1.00 0.00 WT1 H ATOM 3655 OH2 TIP3 176 1.514 1.512 -6.537 1.00 0.00 WT1 O ATOM 3656 H1 TIP3 176 2.933 -7.879 -21.121 1.00 0.00 WT1 H ATOM 3657 H2 TIP3 176 -2.037 1.841 -8.588 1.00 0.00 WT1 H ATOM 3658 OH2 TIP3 177 2.953 0.232 -3.955 1.00 0.00 WT1 O ATOM 3659 H1 TIP3 177 8.453 1.118 -17.739 1.00 0.00 WT1 H ATOM 3660 H2 TIP3 177 -9.938 -5.309 29.765 1.00 0.00 WT1 H ATOM 3661 OH2 TIP3 178 -1.594 -10.339 5.909 1.00 0.00 WT1 O ATOM 3662 H1 TIP3 178 1.279 -19.699 21.656 1.00 0.00 WT1 H ATOM 3663 H2 TIP3 178 -1.765 -0.109 14.617 1.00 0.00 WT1 H ATOM 3664 OH2 TIP3 179 -5.473 -8.315 -0.046 1.00 0.00 WT1 O ATOM 3665 H1 TIP3 179 -20.560 -6.186 0.868 1.00 0.00 WT1 H ATOM 3666 H2 TIP3 179 9.690 -30.214 -1.917 1.00 0.00 WT1 H ATOM 3667 OH2 TIP3 180 1.536 -4.077 2.768 1.00 0.00 WT1 O ATOM 3668 H1 TIP3 180 2.936 -9.868 11.228 1.00 0.00 WT1 H ATOM 3669 H2 TIP3 180 9.788 -11.765 16.570 1.00 0.00 WT1 H ATOM 3670 OH2 TIP3 181 -0.241 1.464 -2.540 1.00 0.00 WT1 O ATOM 3671 H1 TIP3 181 0.568 -4.525 -7.988 1.00 0.00 WT1 H ATOM 3672 H2 TIP3 181 -9.111 0.151 -5.312 1.00 0.00 WT1 H ATOM 3673 OH2 TIP3 182 -6.215 -1.085 1.250 1.00 0.00 WT1 O ATOM 3674 H1 TIP3 182 -6.376 -1.422 1.021 1.00 0.00 WT1 H ATOM 3675 H2 TIP3 182 15.996 0.440 -0.058 1.00 0.00 WT1 H ATOM 3676 OH2 TIP3 183 3.352 9.027 -1.157 1.00 0.00 WT1 O ATOM 3677 H1 TIP3 183 5.282 8.573 -14.643 1.00 0.00 WT1 H ATOM 3678 H2 TIP3 183 6.141 -7.468 -25.451 1.00 0.00 WT1 H ATOM 3679 OH2 TIP3 184 -4.007 -6.244 -0.329 1.00 0.00 WT1 O ATOM 3680 H1 TIP3 184 -6.146 8.945 21.326 1.00 0.00 WT1 H ATOM 3681 H2 TIP3 184 5.750 5.932 6.245 1.00 0.00 WT1 H ATOM 3682 OH2 TIP3 185 3.092 1.860 3.213 1.00 0.00 WT1 O ATOM 3683 H1 TIP3 185 -5.068 1.134 -4.093 1.00 0.00 WT1 H ATOM 3684 H2 TIP3 185 0.849 -3.402 8.517 1.00 0.00 WT1 H ATOM 3685 OH2 TIP3 186 2.067 0.116 2.829 1.00 0.00 WT1 O ATOM 3686 H1 TIP3 186 -5.461 27.763 14.130 1.00 0.00 WT1 H ATOM 3687 H2 TIP3 186 8.829 -8.497 -15.178 1.00 0.00 WT1 H ATOM 3688 OH2 TIP3 187 -1.005 -3.045 -1.413 1.00 0.00 WT1 O ATOM 3689 H1 TIP3 187 2.902 3.621 4.535 1.00 0.00 WT1 H ATOM 3690 H2 TIP3 187 3.440 2.396 -12.175 1.00 0.00 WT1 H ATOM 3691 OH2 TIP3 188 -1.247 0.594 0.196 1.00 0.00 WT1 O ATOM 3692 H1 TIP3 188 -15.753 -1.769 -11.428 1.00 0.00 WT1 H ATOM 3693 H2 TIP3 188 7.683 3.094 8.769 1.00 0.00 WT1 H ATOM 3694 OH2 TIP3 190 -2.640 -4.715 0.247 1.00 0.00 WT1 O ATOM 3695 H1 TIP3 190 6.503 -14.901 14.656 1.00 0.00 WT1 H ATOM 3696 H2 TIP3 190 7.355 13.873 7.217 1.00 0.00 WT1 H ATOM 3697 OH2 TIP3 191 -6.518 -3.286 -6.515 1.00 0.00 WT1 O ATOM 3698 H1 TIP3 191 -14.426 -3.395 1.644 1.00 0.00 WT1 H ATOM 3699 H2 TIP3 191 15.588 -2.533 -6.395 1.00 0.00 WT1 H ATOM 3700 OH2 TIP3 192 -7.494 -6.978 -2.186 1.00 0.00 WT1 O ATOM 3701 H1 TIP3 192 10.244 14.516 17.645 1.00 0.00 WT1 H ATOM 3702 H2 TIP3 192 -9.894 23.211 -2.595 1.00 0.00 WT1 H ATOM 3703 OH2 TIP3 193 -2.866 1.713 -10.627 1.00 0.00 WT1 O ATOM 3704 H1 TIP3 193 -0.259 -6.211 -6.018 1.00 0.00 WT1 H ATOM 3705 H2 TIP3 193 -18.838 8.158 -11.456 1.00 0.00 WT1 H ATOM 3706 OH2 TIP3 195 -5.897 11.903 -2.449 1.00 0.00 WT1 O ATOM 3707 H1 TIP3 195 20.443 -23.553 14.143 1.00 0.00 WT1 H ATOM 3708 H2 TIP3 195 -31.513 -0.762 -2.187 1.00 0.00 WT1 H ATOM 3709 OH2 TIP3 196 -0.693 1.087 -2.926 1.00 0.00 WT1 O ATOM 3710 H1 TIP3 196 -25.833 8.265 11.335 1.00 0.00 WT1 H ATOM 3711 H2 TIP3 196 -15.421 12.405 3.234 1.00 0.00 WT1 H ATOM 3712 OH2 TIP3 198 6.230 4.223 -4.475 1.00 0.00 WT1 O ATOM 3713 H1 TIP3 198 -8.686 13.460 -1.788 1.00 0.00 WT1 H ATOM 3714 H2 TIP3 198 -1.980 3.290 -22.845 1.00 0.00 WT1 H ATOM 3715 OH2 TIP3 199 4.466 -3.168 5.909 1.00 0.00 WT1 O ATOM 3716 H1 TIP3 199 -0.795 7.013 7.120 1.00 0.00 WT1 H ATOM 3717 H2 TIP3 199 1.942 5.265 -0.039 1.00 0.00 WT1 H ATOM 3718 OH2 TIP3 200 2.068 0.869 3.510 1.00 0.00 WT1 O ATOM 3719 H1 TIP3 200 -2.091 -17.115 -27.094 1.00 0.00 WT1 H ATOM 3720 H2 TIP3 200 -18.278 29.637 3.020 1.00 0.00 WT1 H ATOM 3721 OH2 TIP3 201 -2.139 2.129 -4.186 1.00 0.00 WT1 O ATOM 3722 H1 TIP3 201 18.554 21.148 -1.209 1.00 0.00 WT1 H ATOM 3723 H2 TIP3 201 -3.793 9.723 -26.322 1.00 0.00 WT1 H ATOM 3724 OH2 TIP3 202 1.189 -4.261 -0.507 1.00 0.00 WT1 O ATOM 3725 H1 TIP3 202 9.263 -4.892 17.709 1.00 0.00 WT1 H ATOM 3726 H2 TIP3 202 8.576 13.588 0.029 1.00 0.00 WT1 H ATOM 3727 OH2 TIP3 203 -8.857 3.135 5.543 1.00 0.00 WT1 O ATOM 3728 H1 TIP3 203 -6.354 22.821 14.150 1.00 0.00 WT1 H ATOM 3729 H2 TIP3 203 -10.715 -3.316 39.714 1.00 0.00 WT1 H ATOM 3730 OH2 TIP3 204 4.297 -5.313 2.338 1.00 0.00 WT1 O ATOM 3731 H1 TIP3 204 2.190 -6.937 27.458 1.00 0.00 WT1 H ATOM 3732 H2 TIP3 204 15.655 -18.665 -12.263 1.00 0.00 WT1 H ATOM 3733 OH2 TIP3 205 -0.263 5.403 -4.465 1.00 0.00 WT1 O ATOM 3734 H1 TIP3 205 3.835 -8.353 10.894 1.00 0.00 WT1 H ATOM 3735 H2 TIP3 205 3.515 -7.689 10.429 1.00 0.00 WT1 H ATOM 3736 OH2 TIP3 206 -0.084 -2.477 -3.725 1.00 0.00 WT1 O ATOM 3737 H1 TIP3 206 -8.045 -3.381 6.451 1.00 0.00 WT1 H ATOM 3738 H2 TIP3 206 10.018 2.718 -1.827 1.00 0.00 WT1 H ATOM 3739 OH2 TIP3 207 0.305 -2.042 -0.984 1.00 0.00 WT1 O ATOM 3740 H1 TIP3 207 5.718 8.258 -5.008 1.00 0.00 WT1 H ATOM 3741 H2 TIP3 207 9.699 4.859 -2.961 1.00 0.00 WT1 H ATOM 3742 OH2 TIP3 208 -2.458 3.478 1.333 1.00 0.00 WT1 O ATOM 3743 H1 TIP3 208 -7.567 19.268 -4.894 1.00 0.00 WT1 H ATOM 3744 H2 TIP3 208 -12.858 15.599 1.229 1.00 0.00 WT1 H ATOM 3745 OH2 TIP3 209 -2.934 3.291 -2.572 1.00 0.00 WT1 O ATOM 3746 H1 TIP3 209 -11.622 -9.895 4.734 1.00 0.00 WT1 H ATOM 3747 H2 TIP3 209 -16.614 15.168 3.870 1.00 0.00 WT1 H ATOM 3748 OH2 TIP3 210 -7.758 -2.779 -3.097 1.00 0.00 WT1 O ATOM 3749 H1 TIP3 210 -13.716 11.591 4.793 1.00 0.00 WT1 H ATOM 3750 H2 TIP3 210 -4.246 -8.622 -8.697 1.00 0.00 WT1 H ATOM 3751 OH2 TIP3 211 4.589 1.122 -8.604 1.00 0.00 WT1 O ATOM 3752 H1 TIP3 211 -7.215 -1.794 -5.225 1.00 0.00 WT1 H ATOM 3753 H2 TIP3 211 9.468 -2.470 -2.724 1.00 0.00 WT1 H ATOM 3754 OH2 TIP3 212 -0.430 -0.775 -2.437 1.00 0.00 WT1 O ATOM 3755 H1 TIP3 212 24.728 -12.242 -5.010 1.00 0.00 WT1 H ATOM 3756 H2 TIP3 212 8.199 8.127 -5.497 1.00 0.00 WT1 H ATOM 3757 OH2 TIP3 213 5.326 -6.763 -3.664 1.00 0.00 WT1 O ATOM 3758 H1 TIP3 213 3.168 -10.826 -15.935 1.00 0.00 WT1 H ATOM 3759 H2 TIP3 213 -7.883 -7.787 -1.107 1.00 0.00 WT1 H ATOM 3760 OH2 TIP3 214 -0.964 -4.135 4.699 1.00 0.00 WT1 O ATOM 3761 H1 TIP3 214 -5.884 15.985 -1.304 1.00 0.00 WT1 H ATOM 3762 H2 TIP3 214 -7.398 9.056 3.857 1.00 0.00 WT1 H ATOM 3763 OH2 TIP3 215 7.070 -6.200 2.219 1.00 0.00 WT1 O ATOM 3764 H1 TIP3 215 6.016 20.433 1.498 1.00 0.00 WT1 H ATOM 3765 H2 TIP3 215 17.252 19.565 -9.552 1.00 0.00 WT1 H ATOM 3766 OH2 TIP3 216 -3.635 -7.111 -1.385 1.00 0.00 WT1 O ATOM 3767 H1 TIP3 216 11.117 1.484 19.412 1.00 0.00 WT1 H ATOM 3768 H2 TIP3 216 -13.946 -16.822 6.136 1.00 0.00 WT1 H ATOM 3769 OH2 TIP3 217 -3.818 -4.342 7.178 1.00 0.00 WT1 O ATOM 3770 H1 TIP3 217 1.924 -10.571 -1.879 1.00 0.00 WT1 H ATOM 3771 H2 TIP3 217 0.196 -20.497 6.406 1.00 0.00 WT1 H ATOM 3772 OH2 TIP3 219 -2.492 -2.290 -4.428 1.00 0.00 WT1 O ATOM 3773 H1 TIP3 219 38.401 13.958 -4.923 1.00 0.00 WT1 H ATOM 3774 H2 TIP3 219 3.142 5.553 9.918 1.00 0.00 WT1 H ATOM 3775 OH2 TIP3 220 1.480 -1.350 -4.839 1.00 0.00 WT1 O ATOM 3776 H1 TIP3 220 0.525 -3.197 -13.420 1.00 0.00 WT1 H ATOM 3777 H2 TIP3 220 -5.270 4.254 1.061 1.00 0.00 WT1 H ATOM 3778 OH2 TIP3 221 7.363 -3.258 -4.144 1.00 0.00 WT1 O ATOM 3779 H1 TIP3 221 -9.236 -15.435 -6.283 1.00 0.00 WT1 H ATOM 3780 H2 TIP3 221 14.067 18.024 -14.195 1.00 0.00 WT1 H ATOM 3781 OH2 TIP3 222 1.710 -1.830 -1.988 1.00 0.00 WT1 O ATOM 3782 H1 TIP3 222 -12.606 7.200 0.255 1.00 0.00 WT1 H ATOM 3783 H2 TIP3 222 20.314 -11.675 -17.652 1.00 0.00 WT1 H ATOM 3784 OH2 TIP3 223 1.281 -0.883 -4.591 1.00 0.00 WT1 O ATOM 3785 H1 TIP3 223 20.482 20.400 -3.006 1.00 0.00 WT1 H ATOM 3786 H2 TIP3 223 -21.743 11.211 16.024 1.00 0.00 WT1 H ATOM 3787 OH2 TIP3 224 5.316 0.776 0.196 1.00 0.00 WT1 O ATOM 3788 H1 TIP3 224 5.299 -12.138 -3.313 1.00 0.00 WT1 H ATOM 3789 H2 TIP3 224 5.670 8.143 18.242 1.00 0.00 WT1 H ATOM 3790 OH2 TIP3 225 -0.979 3.336 2.395 1.00 0.00 WT1 O ATOM 3791 H1 TIP3 225 13.247 -16.130 -8.820 1.00 0.00 WT1 H ATOM 3792 H2 TIP3 225 -4.097 32.760 3.458 1.00 0.00 WT1 H ATOM 3793 OH2 TIP3 226 -7.185 1.898 1.305 1.00 0.00 WT1 O ATOM 3794 H1 TIP3 226 10.788 -2.963 -0.972 1.00 0.00 WT1 H ATOM 3795 H2 TIP3 226 -31.903 13.679 -3.823 1.00 0.00 WT1 H ATOM 3796 OH2 TIP3 227 -1.545 -4.318 -4.053 1.00 0.00 WT1 O ATOM 3797 H1 TIP3 227 -18.961 3.348 3.678 1.00 0.00 WT1 H ATOM 3798 H2 TIP3 227 -1.837 2.243 -1.056 1.00 0.00 WT1 H ATOM 3799 OH2 TIP3 228 -6.720 1.372 -3.492 1.00 0.00 WT1 O ATOM 3800 H1 TIP3 228 0.964 9.850 -0.386 1.00 0.00 WT1 H ATOM 3801 H2 TIP3 228 15.473 -24.467 -18.696 1.00 0.00 WT1 H ATOM 3802 OH2 TIP3 229 6.548 -1.058 1.715 1.00 0.00 WT1 O ATOM 3803 H1 TIP3 229 5.849 -5.039 -4.853 1.00 0.00 WT1 H ATOM 3804 H2 TIP3 229 2.192 -13.445 5.357 1.00 0.00 WT1 H ATOM 3805 OH2 TIP3 230 -5.148 0.223 -0.469 1.00 0.00 WT1 O ATOM 3806 H1 TIP3 230 -2.956 13.963 -3.435 1.00 0.00 WT1 H ATOM 3807 H2 TIP3 230 10.822 -17.729 6.498 1.00 0.00 WT1 H ATOM 3808 OH2 TIP3 231 1.222 1.180 1.394 1.00 0.00 WT1 O ATOM 3809 H1 TIP3 231 5.049 6.039 -9.336 1.00 0.00 WT1 H ATOM 3810 H2 TIP3 231 2.664 3.134 -1.756 1.00 0.00 WT1 H ATOM 3811 OH2 TIP3 232 -0.853 2.719 -0.572 1.00 0.00 WT1 O ATOM 3812 H1 TIP3 232 23.917 -10.374 -15.725 1.00 0.00 WT1 H ATOM 3813 H2 TIP3 232 -16.135 9.950 0.981 1.00 0.00 WT1 H ATOM 3814 OH2 TIP3 233 3.252 0.493 -0.348 1.00 0.00 WT1 O ATOM 3815 H1 TIP3 233 -3.530 2.935 -0.068 1.00 0.00 WT1 H ATOM 3816 H2 TIP3 233 -11.400 -3.789 -19.642 1.00 0.00 WT1 H ATOM 3817 OH2 TIP3 234 5.564 5.449 2.800 1.00 0.00 WT1 O ATOM 3818 H1 TIP3 234 5.733 12.546 1.033 1.00 0.00 WT1 H ATOM 3819 H2 TIP3 234 -14.850 2.834 11.842 1.00 0.00 WT1 H ATOM 3820 OH2 TIP3 235 -0.444 4.124 4.689 1.00 0.00 WT1 O ATOM 3821 H1 TIP3 235 -10.073 13.020 2.561 1.00 0.00 WT1 H ATOM 3822 H2 TIP3 235 -6.666 12.262 5.510 1.00 0.00 WT1 H ATOM 3823 OH2 TIP3 236 -0.142 -1.131 -3.454 1.00 0.00 WT1 O ATOM 3824 H1 TIP3 236 -11.466 5.790 -15.087 1.00 0.00 WT1 H ATOM 3825 H2 TIP3 236 -8.807 -10.835 7.538 1.00 0.00 WT1 H ATOM 3826 OH2 TIP3 237 7.366 8.806 -5.893 1.00 0.00 WT1 O ATOM 3827 H1 TIP3 237 5.716 2.795 -5.388 1.00 0.00 WT1 H ATOM 3828 H2 TIP3 237 6.884 0.568 -4.548 1.00 0.00 WT1 H ATOM 3829 OH2 TIP3 238 -0.091 -4.892 -4.245 1.00 0.00 WT1 O ATOM 3830 H1 TIP3 238 12.274 3.882 6.202 1.00 0.00 WT1 H ATOM 3831 H2 TIP3 238 -0.622 0.665 0.596 1.00 0.00 WT1 H ATOM 3832 OH2 TIP3 239 -0.919 3.109 2.659 1.00 0.00 WT1 O ATOM 3833 H1 TIP3 239 6.711 0.459 2.930 1.00 0.00 WT1 H ATOM 3834 H2 TIP3 239 -8.823 3.944 1.540 1.00 0.00 WT1 H ATOM 3835 OH2 TIP3 240 -6.343 5.033 1.970 1.00 0.00 WT1 O ATOM 3836 H1 TIP3 240 -0.005 0.317 -4.757 1.00 0.00 WT1 H ATOM 3837 H2 TIP3 240 -10.573 15.676 6.394 1.00 0.00 WT1 H ATOM 3838 OH2 TIP3 241 -0.773 -6.094 1.525 1.00 0.00 WT1 O ATOM 3839 H1 TIP3 241 14.693 16.587 -15.277 1.00 0.00 WT1 H ATOM 3840 H2 TIP3 241 3.787 17.292 -25.499 1.00 0.00 WT1 H ATOM 3841 OH2 TIP3 242 -1.042 3.418 -0.313 1.00 0.00 WT1 O ATOM 3842 H1 TIP3 242 -2.366 8.770 -7.969 1.00 0.00 WT1 H ATOM 3843 H2 TIP3 242 1.343 -2.499 -4.880 1.00 0.00 WT1 H ATOM 3844 OH2 TIP3 243 -7.977 -1.067 -1.687 1.00 0.00 WT1 O ATOM 3845 H1 TIP3 243 2.395 -3.199 -24.710 1.00 0.00 WT1 H ATOM 3846 H2 TIP3 243 -1.164 1.963 10.765 1.00 0.00 WT1 H ATOM 3847 OH2 TIP3 244 -3.027 -0.709 2.850 1.00 0.00 WT1 O ATOM 3848 H1 TIP3 244 3.619 3.478 3.858 1.00 0.00 WT1 H ATOM 3849 H2 TIP3 244 -7.895 7.030 3.974 1.00 0.00 WT1 H ATOM 3850 OH2 TIP3 245 -3.393 3.539 2.854 1.00 0.00 WT1 O ATOM 3851 H1 TIP3 245 -4.077 -12.037 0.156 1.00 0.00 WT1 H ATOM 3852 H2 TIP3 245 2.925 -27.386 1.846 1.00 0.00 WT1 H ATOM 3853 OH2 TIP3 246 -7.187 1.563 -1.867 1.00 0.00 WT1 O ATOM 3854 H1 TIP3 246 -17.943 0.179 -7.379 1.00 0.00 WT1 H ATOM 3855 H2 TIP3 246 4.099 5.141 6.027 1.00 0.00 WT1 H ATOM 3856 OH2 TIP3 247 3.089 4.400 -6.219 1.00 0.00 WT1 O ATOM 3857 H1 TIP3 247 5.443 -5.119 4.796 1.00 0.00 WT1 H ATOM 3858 H2 TIP3 247 -5.978 14.498 -0.601 1.00 0.00 WT1 H ATOM 3859 OH2 TIP3 248 -0.654 0.410 -1.671 1.00 0.00 WT1 O ATOM 3860 H1 TIP3 248 -6.999 0.233 4.219 1.00 0.00 WT1 H ATOM 3861 H2 TIP3 248 16.755 1.421 -20.719 1.00 0.00 WT1 H ATOM 3862 OH2 TIP3 249 -3.523 -1.550 -0.314 1.00 0.00 WT1 O ATOM 3863 H1 TIP3 249 -16.454 18.701 13.569 1.00 0.00 WT1 H ATOM 3864 H2 TIP3 249 1.250 -10.465 -7.730 1.00 0.00 WT1 H ATOM 3865 OH2 TIP3 250 -1.359 -4.805 -2.447 1.00 0.00 WT1 O ATOM 3866 H1 TIP3 250 -0.255 -11.483 -13.710 1.00 0.00 WT1 H ATOM 3867 H2 TIP3 250 -6.665 -0.283 -14.365 1.00 0.00 WT1 H ATOM 3868 OH2 TIP3 251 5.442 -3.445 0.071 1.00 0.00 WT1 O ATOM 3869 H1 TIP3 251 8.509 0.229 1.723 1.00 0.00 WT1 H ATOM 3870 H2 TIP3 251 -3.817 -7.395 -10.929 1.00 0.00 WT1 H ATOM 3871 OH2 TIP3 252 -3.314 0.397 2.401 1.00 0.00 WT1 O ATOM 3872 H1 TIP3 252 5.415 -9.642 13.561 1.00 0.00 WT1 H ATOM 3873 H2 TIP3 252 8.671 -17.735 18.738 1.00 0.00 WT1 H ATOM 3874 OH2 TIP3 253 -6.596 3.452 -0.873 1.00 0.00 WT1 O ATOM 3875 H1 TIP3 253 -10.089 1.700 12.526 1.00 0.00 WT1 H ATOM 3876 H2 TIP3 253 -4.461 5.233 -2.475 1.00 0.00 WT1 H ATOM 3877 OH2 TIP3 254 -0.088 -2.509 1.049 1.00 0.00 WT1 O ATOM 3878 H1 TIP3 254 8.150 -9.288 -2.557 1.00 0.00 WT1 H ATOM 3879 H2 TIP3 254 3.482 16.316 0.467 1.00 0.00 WT1 H ATOM 3880 OH2 TIP3 255 7.019 4.102 5.666 1.00 0.00 WT1 O ATOM 3881 H1 TIP3 255 1.504 4.430 -8.429 1.00 0.00 WT1 H ATOM 3882 H2 TIP3 255 -3.176 -2.480 14.652 1.00 0.00 WT1 H ATOM 3883 OH2 TIP3 256 4.978 -2.491 0.034 1.00 0.00 WT1 O ATOM 3884 H1 TIP3 256 13.161 -2.513 3.872 1.00 0.00 WT1 H ATOM 3885 H2 TIP3 256 0.731 -9.054 0.702 1.00 0.00 WT1 H ATOM 3886 OH2 TIP3 257 -3.814 3.851 1.198 1.00 0.00 WT1 O ATOM 3887 H1 TIP3 257 4.044 0.367 9.192 1.00 0.00 WT1 H ATOM 3888 H2 TIP3 257 15.213 -5.979 -16.896 1.00 0.00 WT1 H ATOM 3889 OH2 TIP3 258 5.914 -2.937 -0.991 1.00 0.00 WT1 O ATOM 3890 H1 TIP3 258 -6.124 -5.229 -3.092 1.00 0.00 WT1 H ATOM 3891 H2 TIP3 258 11.196 9.270 -1.017 1.00 0.00 WT1 H ATOM 3892 OH2 TIP3 259 2.123 0.007 0.574 1.00 0.00 WT1 O ATOM 3893 H1 TIP3 259 10.836 6.316 -3.836 1.00 0.00 WT1 H ATOM 3894 H2 TIP3 259 -8.900 7.002 -5.697 1.00 0.00 WT1 H ATOM 3895 OH2 TIP3 260 4.749 -5.092 -1.711 1.00 0.00 WT1 O ATOM 3896 H1 TIP3 260 6.964 -0.458 -0.891 1.00 0.00 WT1 H ATOM 3897 H2 TIP3 260 -12.178 1.312 -10.666 1.00 0.00 WT1 H ATOM 3898 OH2 TIP3 261 -1.982 -0.760 3.679 1.00 0.00 WT1 O ATOM 3899 H1 TIP3 261 7.577 17.143 -9.942 1.00 0.00 WT1 H ATOM 3900 H2 TIP3 261 0.096 -4.280 -19.702 1.00 0.00 WT1 H ATOM 3901 OH2 TIP3 262 -1.763 0.416 4.947 1.00 0.00 WT1 O ATOM 3902 H1 TIP3 262 -14.150 -21.922 -7.241 1.00 0.00 WT1 H ATOM 3903 H2 TIP3 262 -16.138 -15.981 7.358 1.00 0.00 WT1 H ATOM 3904 OH2 TIP3 263 -0.530 -0.167 6.222 1.00 0.00 WT1 O ATOM 3905 H1 TIP3 263 -25.676 5.324 18.889 1.00 0.00 WT1 H ATOM 3906 H2 TIP3 263 15.912 21.763 4.092 1.00 0.00 WT1 H ATOM 3907 OH2 TIP3 264 4.595 6.764 7.761 1.00 0.00 WT1 O ATOM 3908 H1 TIP3 264 6.576 43.015 -34.628 1.00 0.00 WT1 H ATOM 3909 H2 TIP3 264 -0.934 -9.164 -12.639 1.00 0.00 WT1 H ATOM 3910 OH2 TIP3 265 3.920 -5.642 0.339 1.00 0.00 WT1 O ATOM 3911 H1 TIP3 265 -4.015 -9.564 -14.974 1.00 0.00 WT1 H ATOM 3912 H2 TIP3 265 18.061 0.602 30.884 1.00 0.00 WT1 H ATOM 3913 OH2 TIP3 266 -2.708 -2.886 -1.045 1.00 0.00 WT1 O ATOM 3914 H1 TIP3 266 -2.732 -5.066 5.826 1.00 0.00 WT1 H ATOM 3915 H2 TIP3 266 -10.985 7.061 8.801 1.00 0.00 WT1 H ATOM 3916 OH2 TIP3 267 -2.665 -1.924 -1.787 1.00 0.00 WT1 O ATOM 3917 H1 TIP3 267 9.798 2.749 -5.078 1.00 0.00 WT1 H ATOM 3918 H2 TIP3 267 14.839 2.873 -6.907 1.00 0.00 WT1 H ATOM 3919 OH2 TIP3 268 6.314 -0.726 -4.152 1.00 0.00 WT1 O ATOM 3920 H1 TIP3 268 14.080 -0.772 -6.054 1.00 0.00 WT1 H ATOM 3921 H2 TIP3 268 2.469 0.054 -7.749 1.00 0.00 WT1 H ATOM 3922 OH2 TIP3 269 2.595 -1.934 -4.081 1.00 0.00 WT1 O ATOM 3923 H1 TIP3 269 -13.405 -5.340 -13.627 1.00 0.00 WT1 H ATOM 3924 H2 TIP3 269 8.968 -7.845 15.471 1.00 0.00 WT1 H ATOM 3925 OH2 TIP3 270 5.511 -1.847 -6.072 1.00 0.00 WT1 O ATOM 3926 H1 TIP3 270 -5.438 -1.569 -12.605 1.00 0.00 WT1 H ATOM 3927 H2 TIP3 270 1.593 -9.185 -5.610 1.00 0.00 WT1 H ATOM 3928 OH2 TIP3 271 2.761 -1.996 0.067 1.00 0.00 WT1 O ATOM 3929 H1 TIP3 271 3.695 13.299 -8.641 1.00 0.00 WT1 H ATOM 3930 H2 TIP3 271 -8.645 -26.424 -7.072 1.00 0.00 WT1 H ATOM 3931 OH2 TIP3 272 -0.841 -7.592 5.984 1.00 0.00 WT1 O ATOM 3932 H1 TIP3 272 13.725 -14.737 6.860 1.00 0.00 WT1 H ATOM 3933 H2 TIP3 272 -18.470 3.890 -16.894 1.00 0.00 WT1 H ATOM 3934 OH2 TIP3 273 -2.422 -6.976 2.279 1.00 0.00 WT1 O ATOM 3935 H1 TIP3 273 -14.273 -2.158 0.927 1.00 0.00 WT1 H ATOM 3936 H2 TIP3 273 14.990 2.073 -11.492 1.00 0.00 WT1 H ATOM 3937 OH2 TIP3 274 -5.086 0.994 -6.929 1.00 0.00 WT1 O ATOM 3938 H1 TIP3 274 -4.354 2.679 -6.618 1.00 0.00 WT1 H ATOM 3939 H2 TIP3 274 0.354 14.169 4.827 1.00 0.00 WT1 H ATOM 3940 OH2 TIP3 275 8.678 -0.834 7.332 1.00 0.00 WT1 O ATOM 3941 H1 TIP3 275 7.510 -3.250 1.902 1.00 0.00 WT1 H ATOM 3942 H2 TIP3 275 13.873 3.282 4.751 1.00 0.00 WT1 H ATOM 3943 OH2 TIP3 276 -1.041 6.050 -7.061 1.00 0.00 WT1 O ATOM 3944 H1 TIP3 276 -13.757 9.517 19.409 1.00 0.00 WT1 H ATOM 3945 H2 TIP3 276 -0.985 -15.276 5.234 1.00 0.00 WT1 H ATOM 3946 OH2 TIP3 277 -2.417 3.932 6.189 1.00 0.00 WT1 O ATOM 3947 H1 TIP3 277 -4.950 10.960 14.432 1.00 0.00 WT1 H ATOM 3948 H2 TIP3 277 14.432 4.582 -1.610 1.00 0.00 WT1 H ATOM 3949 OH2 TIP3 278 -2.429 7.820 4.176 1.00 0.00 WT1 O ATOM 3950 H1 TIP3 278 4.688 12.736 -5.718 1.00 0.00 WT1 H ATOM 3951 H2 TIP3 278 -2.513 9.994 13.993 1.00 0.00 WT1 H ATOM 3952 OH2 TIP3 279 0.771 0.354 -6.318 1.00 0.00 WT1 O ATOM 3953 H1 TIP3 279 9.862 5.668 -5.997 1.00 0.00 WT1 H ATOM 3954 H2 TIP3 279 15.261 19.923 8.167 1.00 0.00 WT1 H ATOM 3955 OH2 TIP3 280 -6.697 -1.936 7.515 1.00 0.00 WT1 O ATOM 3956 H1 TIP3 280 -1.465 -34.402 4.933 1.00 0.00 WT1 H ATOM 3957 H2 TIP3 280 3.919 18.811 -13.625 1.00 0.00 WT1 H ATOM 3958 OH2 TIP3 281 1.120 0.814 -2.822 1.00 0.00 WT1 O ATOM 3959 H1 TIP3 281 7.361 8.182 -10.619 1.00 0.00 WT1 H ATOM 3960 H2 TIP3 281 7.892 -9.647 -25.511 1.00 0.00 WT1 H ATOM 3961 OH2 TIP3 282 3.638 -3.038 9.101 1.00 0.00 WT1 O ATOM 3962 H1 TIP3 282 8.979 -7.752 14.696 1.00 0.00 WT1 H ATOM 3963 H2 TIP3 282 -9.114 1.699 -9.945 1.00 0.00 WT1 H ATOM 3964 OH2 TIP3 283 -0.865 1.971 -3.377 1.00 0.00 WT1 O ATOM 3965 H1 TIP3 283 4.988 -10.695 20.364 1.00 0.00 WT1 H ATOM 3966 H2 TIP3 283 -2.994 -26.900 -6.762 1.00 0.00 WT1 H ATOM 3967 OH2 TIP3 284 1.802 -1.447 4.964 1.00 0.00 WT1 O ATOM 3968 H1 TIP3 284 0.846 11.045 8.475 1.00 0.00 WT1 H ATOM 3969 H2 TIP3 284 -19.097 35.088 24.878 1.00 0.00 WT1 H ATOM 3970 OH2 TIP3 285 2.743 0.869 -4.322 1.00 0.00 WT1 O ATOM 3971 H1 TIP3 285 10.510 -3.280 -24.386 1.00 0.00 WT1 H ATOM 3972 H2 TIP3 285 -20.553 -8.042 -25.701 1.00 0.00 WT1 H ATOM 3973 OH2 TIP3 286 -1.873 -3.829 -5.688 1.00 0.00 WT1 O ATOM 3974 H1 TIP3 286 -0.481 6.154 -16.851 1.00 0.00 WT1 H ATOM 3975 H2 TIP3 286 -11.436 10.752 3.973 1.00 0.00 WT1 H ATOM 3976 OH2 TIP3 287 1.894 -1.048 6.147 1.00 0.00 WT1 O ATOM 3977 H1 TIP3 287 13.509 -7.972 12.582 1.00 0.00 WT1 H ATOM 3978 H2 TIP3 287 6.190 -0.481 -6.514 1.00 0.00 WT1 H ATOM 3979 OH2 TIP3 288 -0.211 0.361 -0.142 1.00 0.00 WT1 O ATOM 3980 H1 TIP3 288 2.770 5.840 2.084 1.00 0.00 WT1 H ATOM 3981 H2 TIP3 288 -4.335 -0.633 8.939 1.00 0.00 WT1 H ATOM 3982 OH2 TIP3 289 1.598 1.033 0.963 1.00 0.00 WT1 O ATOM 3983 H1 TIP3 289 23.253 -24.454 9.062 1.00 0.00 WT1 H ATOM 3984 H2 TIP3 289 -2.644 -17.629 -4.064 1.00 0.00 WT1 H ATOM 3985 OH2 TIP3 290 -3.999 -2.069 0.602 1.00 0.00 WT1 O ATOM 3986 H1 TIP3 290 5.541 11.978 -6.217 1.00 0.00 WT1 H ATOM 3987 H2 TIP3 290 -3.960 5.294 -0.827 1.00 0.00 WT1 H ATOM 3988 OH2 TIP3 291 1.440 0.184 -0.221 1.00 0.00 WT1 O ATOM 3989 H1 TIP3 291 1.516 1.104 -0.886 1.00 0.00 WT1 H ATOM 3990 H2 TIP3 291 8.208 10.491 4.543 1.00 0.00 WT1 H ATOM 3991 OH2 TIP3 292 -1.759 1.638 -1.491 1.00 0.00 WT1 O ATOM 3992 H1 TIP3 292 -16.814 -0.287 9.108 1.00 0.00 WT1 H ATOM 3993 H2 TIP3 292 5.273 1.197 -4.395 1.00 0.00 WT1 H ATOM 3994 OH2 TIP3 293 0.326 -1.168 5.285 1.00 0.00 WT1 O ATOM 3995 H1 TIP3 293 -9.402 -14.051 6.338 1.00 0.00 WT1 H ATOM 3996 H2 TIP3 293 -6.691 -9.283 -0.406 1.00 0.00 WT1 H ATOM 3997 OH2 TIP3 294 -6.717 -3.157 1.814 1.00 0.00 WT1 O ATOM 3998 H1 TIP3 294 0.047 -1.528 -9.663 1.00 0.00 WT1 H ATOM 3999 H2 TIP3 294 -18.501 4.082 37.292 1.00 0.00 WT1 H ATOM 4000 OH2 TIP3 295 -3.360 -2.194 -5.149 1.00 0.00 WT1 O ATOM 4001 H1 TIP3 295 -10.646 -0.555 -1.490 1.00 0.00 WT1 H ATOM 4002 H2 TIP3 295 -17.529 -4.795 -4.872 1.00 0.00 WT1 H ATOM 4003 OH2 TIP3 296 9.991 1.012 2.569 1.00 0.00 WT1 O ATOM 4004 H1 TIP3 296 12.658 -34.372 14.026 1.00 0.00 WT1 H ATOM 4005 H2 TIP3 296 12.764 -27.048 11.350 1.00 0.00 WT1 H ATOM 4006 OH2 TIP3 297 2.723 0.101 0.794 1.00 0.00 WT1 O ATOM 4007 H1 TIP3 297 -19.173 14.339 5.481 1.00 0.00 WT1 H ATOM 4008 H2 TIP3 297 -1.426 10.505 -3.676 1.00 0.00 WT1 H ATOM 4009 OH2 TIP3 298 2.974 -2.026 -1.802 1.00 0.00 WT1 O ATOM 4010 H1 TIP3 298 4.428 -1.662 -0.417 1.00 0.00 WT1 H ATOM 4011 H2 TIP3 298 -10.395 -6.794 -18.283 1.00 0.00 WT1 H ATOM 4012 OH2 TIP3 299 6.923 -0.529 -0.161 1.00 0.00 WT1 O ATOM 4013 H1 TIP3 299 8.426 -5.681 -0.522 1.00 0.00 WT1 H ATOM 4014 H2 TIP3 299 14.499 -13.256 -7.211 1.00 0.00 WT1 H ATOM 4015 OH2 TIP3 300 5.925 2.462 -0.265 1.00 0.00 WT1 O ATOM 4016 H1 TIP3 300 9.727 -0.212 -2.753 1.00 0.00 WT1 H ATOM 4017 H2 TIP3 300 6.346 2.210 -8.182 1.00 0.00 WT1 H ATOM 4018 OH2 TIP3 301 -0.727 -1.902 -2.446 1.00 0.00 WT1 O ATOM 4019 H1 TIP3 301 3.712 1.140 5.077 1.00 0.00 WT1 H ATOM 4020 H2 TIP3 301 -7.091 3.915 7.355 1.00 0.00 WT1 H ATOM 4021 OH2 TIP3 302 1.558 -5.056 2.935 1.00 0.00 WT1 O ATOM 4022 H1 TIP3 302 -10.429 0.667 -5.474 1.00 0.00 WT1 H ATOM 4023 H2 TIP3 302 -9.363 -23.509 5.926 1.00 0.00 WT1 H ATOM 4024 OH2 TIP3 303 -6.460 1.321 3.544 1.00 0.00 WT1 O ATOM 4025 H1 TIP3 303 -3.850 1.049 14.005 1.00 0.00 WT1 H ATOM 4026 H2 TIP3 303 -10.801 4.237 -14.173 1.00 0.00 WT1 H ATOM 4027 OH2 TIP3 304 -1.334 -3.899 2.958 1.00 0.00 WT1 O ATOM 4028 H1 TIP3 304 2.336 -12.192 13.129 1.00 0.00 WT1 H ATOM 4029 H2 TIP3 304 -6.923 12.743 -11.503 1.00 0.00 WT1 H ATOM 4030 OH2 TIP3 305 5.124 -2.156 5.850 1.00 0.00 WT1 O ATOM 4031 H1 TIP3 305 1.596 -0.899 4.231 1.00 0.00 WT1 H ATOM 4032 H2 TIP3 305 -0.940 -1.306 3.652 1.00 0.00 WT1 H ATOM 4033 OH2 TIP3 306 2.131 -2.627 -6.523 1.00 0.00 WT1 O ATOM 4034 H1 TIP3 306 6.116 -14.054 -9.959 1.00 0.00 WT1 H ATOM 4035 H2 TIP3 306 -9.950 -2.303 -7.918 1.00 0.00 WT1 H ATOM 4036 OH2 TIP3 307 0.048 -2.446 -0.028 1.00 0.00 WT1 O ATOM 4037 H1 TIP3 307 -1.000 8.405 -15.715 1.00 0.00 WT1 H ATOM 4038 H2 TIP3 307 -13.838 8.258 9.184 1.00 0.00 WT1 H ATOM 4039 OH2 TIP3 308 -0.935 4.648 0.963 1.00 0.00 WT1 O ATOM 4040 H1 TIP3 308 -7.358 9.898 4.066 1.00 0.00 WT1 H ATOM 4041 H2 TIP3 308 14.905 -0.913 15.524 1.00 0.00 WT1 H ATOM 4042 OH2 TIP3 309 4.393 -0.816 -7.900 1.00 0.00 WT1 O ATOM 4043 H1 TIP3 309 6.454 -13.672 24.619 1.00 0.00 WT1 H ATOM 4044 H2 TIP3 309 5.328 9.523 -17.168 1.00 0.00 WT1 H ATOM 4045 OH2 TIP3 311 -2.536 -5.691 -3.892 1.00 0.00 WT1 O ATOM 4046 H1 TIP3 311 -4.918 2.046 -18.226 1.00 0.00 WT1 H ATOM 4047 H2 TIP3 311 -0.675 7.722 9.323 1.00 0.00 WT1 H ATOM 4048 OH2 TIP3 312 -0.455 1.746 3.124 1.00 0.00 WT1 O ATOM 4049 H1 TIP3 312 4.327 9.067 3.778 1.00 0.00 WT1 H ATOM 4050 H2 TIP3 312 -4.280 -11.976 -2.759 1.00 0.00 WT1 H ATOM 4051 OH2 TIP3 313 -0.199 -1.908 0.492 1.00 0.00 WT1 O ATOM 4052 H1 TIP3 313 -0.375 -0.703 0.582 1.00 0.00 WT1 H ATOM 4053 H2 TIP3 313 -0.330 -21.975 11.690 1.00 0.00 WT1 H ATOM 4054 OH2 TIP3 314 -2.759 -3.081 1.970 1.00 0.00 WT1 O ATOM 4055 H1 TIP3 314 15.466 -5.278 -8.344 1.00 0.00 WT1 H ATOM 4056 H2 TIP3 314 5.932 -4.591 -5.350 1.00 0.00 WT1 H ATOM 4057 OH2 TIP3 316 2.001 -2.380 -3.391 1.00 0.00 WT1 O ATOM 4058 H1 TIP3 316 13.754 2.127 -6.260 1.00 0.00 WT1 H ATOM 4059 H2 TIP3 316 35.635 11.207 -7.847 1.00 0.00 WT1 H ATOM 4060 OH2 TIP3 317 0.334 -0.370 -2.425 1.00 0.00 WT1 O ATOM 4061 H1 TIP3 317 -2.890 6.950 -0.307 1.00 0.00 WT1 H ATOM 4062 H2 TIP3 317 -0.542 1.212 -2.235 1.00 0.00 WT1 H ATOM 4063 OH2 TIP3 318 -1.972 0.433 6.979 1.00 0.00 WT1 O ATOM 4064 H1 TIP3 318 -10.941 2.450 -3.191 1.00 0.00 WT1 H ATOM 4065 H2 TIP3 318 -38.027 8.422 -11.820 1.00 0.00 WT1 H ATOM 4066 OH2 TIP3 319 -2.827 2.207 -3.427 1.00 0.00 WT1 O ATOM 4067 H1 TIP3 319 -1.845 -4.082 -17.059 1.00 0.00 WT1 H ATOM 4068 H2 TIP3 319 2.410 13.085 3.375 1.00 0.00 WT1 H ATOM 4069 OH2 TIP3 320 -0.920 8.588 -0.002 1.00 0.00 WT1 O ATOM 4070 H1 TIP3 320 30.598 9.380 1.301 1.00 0.00 WT1 H ATOM 4071 H2 TIP3 320 11.416 3.774 -15.817 1.00 0.00 WT1 H ATOM 4072 OH2 TIP3 321 -0.907 5.836 -0.953 1.00 0.00 WT1 O ATOM 4073 H1 TIP3 321 -9.053 2.822 -2.251 1.00 0.00 WT1 H ATOM 4074 H2 TIP3 321 26.490 1.567 -4.499 1.00 0.00 WT1 H ATOM 4075 OH2 TIP3 322 -1.397 2.727 -2.845 1.00 0.00 WT1 O ATOM 4076 H1 TIP3 322 -5.325 16.630 5.953 1.00 0.00 WT1 H ATOM 4077 H2 TIP3 322 -2.386 6.534 -6.557 1.00 0.00 WT1 H ATOM 4078 OH2 TIP3 324 1.722 2.367 7.726 1.00 0.00 WT1 O ATOM 4079 H1 TIP3 324 -1.026 -3.519 7.343 1.00 0.00 WT1 H ATOM 4080 H2 TIP3 324 8.485 2.609 7.799 1.00 0.00 WT1 H ATOM 4081 OH2 TIP3 325 -5.863 -4.764 1.835 1.00 0.00 WT1 O ATOM 4082 H1 TIP3 325 -13.104 0.805 3.104 1.00 0.00 WT1 H ATOM 4083 H2 TIP3 325 2.135 -11.315 9.371 1.00 0.00 WT1 H ATOM 4084 OH2 TIP3 326 -2.980 6.693 -0.506 1.00 0.00 WT1 O ATOM 4085 H1 TIP3 326 8.524 -1.408 3.282 1.00 0.00 WT1 H ATOM 4086 H2 TIP3 326 0.227 16.478 1.919 1.00 0.00 WT1 H ATOM 4087 OH2 TIP3 327 2.173 -4.795 -0.200 1.00 0.00 WT1 O ATOM 4088 H1 TIP3 327 2.445 1.946 7.304 1.00 0.00 WT1 H ATOM 4089 H2 TIP3 327 -1.200 19.713 10.519 1.00 0.00 WT1 H ATOM 4090 OH2 TIP3 328 -1.733 -4.679 0.782 1.00 0.00 WT1 O ATOM 4091 H1 TIP3 328 -7.961 -12.405 -19.824 1.00 0.00 WT1 H ATOM 4092 H2 TIP3 328 -3.519 18.276 3.095 1.00 0.00 WT1 H ATOM 4093 OH2 TIP3 329 6.003 -0.841 -1.731 1.00 0.00 WT1 O ATOM 4094 H1 TIP3 329 6.870 -7.296 -3.632 1.00 0.00 WT1 H ATOM 4095 H2 TIP3 329 5.915 6.645 6.036 1.00 0.00 WT1 H ATOM 4096 OH2 TIP3 330 4.128 1.741 -1.347 1.00 0.00 WT1 O ATOM 4097 H1 TIP3 330 3.968 -8.006 2.670 1.00 0.00 WT1 H ATOM 4098 H2 TIP3 330 3.592 -7.979 6.012 1.00 0.00 WT1 H ATOM 4099 OH2 TIP3 331 -2.680 7.487 -2.221 1.00 0.00 WT1 O ATOM 4100 H1 TIP3 331 25.006 12.528 10.599 1.00 0.00 WT1 H ATOM 4101 H2 TIP3 331 -2.416 4.473 7.364 1.00 0.00 WT1 H ATOM 4102 OH2 TIP3 332 -0.541 -2.785 5.041 1.00 0.00 WT1 O ATOM 4103 H1 TIP3 332 -3.584 12.846 0.490 1.00 0.00 WT1 H ATOM 4104 H2 TIP3 332 16.948 -13.860 30.264 1.00 0.00 WT1 H ATOM 4105 OH2 TIP3 333 -2.491 5.109 -0.963 1.00 0.00 WT1 O ATOM 4106 H1 TIP3 333 14.362 12.386 -7.852 1.00 0.00 WT1 H ATOM 4107 H2 TIP3 333 -6.565 2.720 -13.625 1.00 0.00 WT1 H ATOM 4108 OH2 TIP3 335 3.138 4.955 -1.038 1.00 0.00 WT1 O ATOM 4109 H1 TIP3 335 -6.369 0.503 6.515 1.00 0.00 WT1 H ATOM 4110 H2 TIP3 335 15.999 0.714 5.777 1.00 0.00 WT1 H ATOM 4111 OH2 TIP3 336 -12.746 1.620 -2.129 1.00 0.00 WT1 O ATOM 4112 H1 TIP3 336 -15.461 5.843 8.248 1.00 0.00 WT1 H ATOM 4113 H2 TIP3 336 -13.061 9.390 1.658 1.00 0.00 WT1 H ATOM 4114 OH2 TIP3 337 -3.030 -0.493 1.244 1.00 0.00 WT1 O ATOM 4115 H1 TIP3 337 -3.626 8.807 -4.074 1.00 0.00 WT1 H ATOM 4116 H2 TIP3 337 -1.242 -3.957 5.526 1.00 0.00 WT1 H ATOM 4117 OH2 TIP3 338 -3.387 7.399 -0.155 1.00 0.00 WT1 O ATOM 4118 H1 TIP3 338 6.934 -4.542 15.018 1.00 0.00 WT1 H ATOM 4119 H2 TIP3 338 6.850 9.908 18.504 1.00 0.00 WT1 H ATOM 4120 OH2 TIP3 339 -2.005 3.822 -1.358 1.00 0.00 WT1 O ATOM 4121 H1 TIP3 339 21.014 5.922 14.616 1.00 0.00 WT1 H ATOM 4122 H2 TIP3 339 3.489 8.848 -1.406 1.00 0.00 WT1 H ATOM 4123 OH2 TIP3 340 -1.062 0.580 1.000 1.00 0.00 WT1 O ATOM 4124 H1 TIP3 340 3.080 5.893 0.716 1.00 0.00 WT1 H ATOM 4125 H2 TIP3 340 6.921 -9.309 -4.865 1.00 0.00 WT1 H ATOM 4126 OH2 TIP3 341 2.897 3.513 4.089 1.00 0.00 WT1 O ATOM 4127 H1 TIP3 341 -4.102 12.111 5.958 1.00 0.00 WT1 H ATOM 4128 H2 TIP3 341 14.927 -11.801 -12.422 1.00 0.00 WT1 H ATOM 4129 OH2 TIP3 342 -2.767 2.173 5.476 1.00 0.00 WT1 O ATOM 4130 H1 TIP3 342 12.547 8.931 -10.541 1.00 0.00 WT1 H ATOM 4131 H2 TIP3 342 -14.857 -3.003 5.973 1.00 0.00 WT1 H ATOM 4132 OH2 TIP3 343 -3.489 5.798 -2.081 1.00 0.00 WT1 O ATOM 4133 H1 TIP3 343 12.505 2.133 -2.314 1.00 0.00 WT1 H ATOM 4134 H2 TIP3 343 -8.272 -4.116 -0.222 1.00 0.00 WT1 H ATOM 4135 OH2 TIP3 344 1.684 3.408 -0.576 1.00 0.00 WT1 O ATOM 4136 H1 TIP3 344 7.109 -10.310 -12.989 1.00 0.00 WT1 H ATOM 4137 H2 TIP3 344 -8.843 -5.518 35.091 1.00 0.00 WT1 H ATOM 4138 OH2 TIP3 345 6.865 -0.216 -0.823 1.00 0.00 WT1 O ATOM 4139 H1 TIP3 345 -6.392 -8.922 9.527 1.00 0.00 WT1 H ATOM 4140 H2 TIP3 345 -3.806 13.327 -11.827 1.00 0.00 WT1 H ATOM 4141 OH2 TIP3 346 3.625 -1.253 1.288 1.00 0.00 WT1 O ATOM 4142 H1 TIP3 346 6.026 2.408 7.913 1.00 0.00 WT1 H ATOM 4143 H2 TIP3 346 15.807 9.538 -3.290 1.00 0.00 WT1 H ATOM 4144 OH2 TIP3 347 -3.552 3.223 2.496 1.00 0.00 WT1 O ATOM 4145 H1 TIP3 347 1.315 2.383 -4.867 1.00 0.00 WT1 H ATOM 4146 H2 TIP3 347 22.049 -19.176 -15.947 1.00 0.00 WT1 H ATOM 4147 OH2 TIP3 348 -5.737 1.135 2.458 1.00 0.00 WT1 O ATOM 4148 H1 TIP3 348 7.026 11.831 -7.530 1.00 0.00 WT1 H ATOM 4149 H2 TIP3 348 1.578 1.400 2.585 1.00 0.00 WT1 H ATOM 4150 OH2 TIP3 349 3.880 8.030 2.319 1.00 0.00 WT1 O ATOM 4151 H1 TIP3 349 3.030 12.402 0.118 1.00 0.00 WT1 H ATOM 4152 H2 TIP3 349 8.168 18.296 -2.590 1.00 0.00 WT1 H ATOM 4153 OH2 TIP3 350 1.415 2.991 0.644 1.00 0.00 WT1 O ATOM 4154 H1 TIP3 350 -17.656 10.519 -12.168 1.00 0.00 WT1 H ATOM 4155 H2 TIP3 350 13.964 -13.078 -5.996 1.00 0.00 WT1 H ATOM 4156 OH2 TIP3 352 2.939 2.956 6.614 1.00 0.00 WT1 O ATOM 4157 H1 TIP3 352 9.451 7.679 1.584 1.00 0.00 WT1 H ATOM 4158 H2 TIP3 352 5.558 -0.583 30.712 1.00 0.00 WT1 H ATOM 4159 OH2 TIP3 353 4.850 4.314 2.224 1.00 0.00 WT1 O ATOM 4160 H1 TIP3 353 12.382 3.822 -11.585 1.00 0.00 WT1 H ATOM 4161 H2 TIP3 353 10.100 3.624 -8.308 1.00 0.00 WT1 H ATOM 4162 OH2 TIP3 355 -0.564 1.206 -7.136 1.00 0.00 WT1 O ATOM 4163 H1 TIP3 355 -12.434 -4.417 4.095 1.00 0.00 WT1 H ATOM 4164 H2 TIP3 355 13.092 5.596 4.969 1.00 0.00 WT1 H ATOM 4165 OH2 TIP3 356 -5.198 4.817 0.847 1.00 0.00 WT1 O ATOM 4166 H1 TIP3 356 -7.714 18.767 4.601 1.00 0.00 WT1 H ATOM 4167 H2 TIP3 356 -2.738 2.584 -11.692 1.00 0.00 WT1 H ATOM 4168 OH2 TIP3 357 -5.174 0.546 -2.155 1.00 0.00 WT1 O ATOM 4169 H1 TIP3 357 4.562 17.192 -0.147 1.00 0.00 WT1 H ATOM 4170 H2 TIP3 357 -10.684 -2.957 15.068 1.00 0.00 WT1 H ATOM 4171 OH2 TIP3 358 6.535 4.762 4.278 1.00 0.00 WT1 O ATOM 4172 H1 TIP3 358 -10.695 45.008 3.802 1.00 0.00 WT1 H ATOM 4173 H2 TIP3 358 5.135 5.401 -2.516 1.00 0.00 WT1 H ATOM 4174 OH2 TIP3 359 -4.283 -1.432 -1.334 1.00 0.00 WT1 O ATOM 4175 H1 TIP3 359 -0.470 5.638 -7.170 1.00 0.00 WT1 H ATOM 4176 H2 TIP3 359 -7.087 -5.096 -21.136 1.00 0.00 WT1 H ATOM 4177 OH2 TIP3 360 7.771 5.120 -1.964 1.00 0.00 WT1 O ATOM 4178 H1 TIP3 360 -0.524 -6.733 10.102 1.00 0.00 WT1 H ATOM 4179 H2 TIP3 360 32.941 3.900 23.725 1.00 0.00 WT1 H ATOM 4180 OH2 TIP3 361 5.809 2.594 4.652 1.00 0.00 WT1 O ATOM 4181 H1 TIP3 361 2.087 -10.809 15.636 1.00 0.00 WT1 H ATOM 4182 H2 TIP3 361 18.901 -9.940 -32.976 1.00 0.00 WT1 H ATOM 4183 OH2 TIP3 362 -1.614 -6.068 0.699 1.00 0.00 WT1 O ATOM 4184 H1 TIP3 362 36.299 -2.424 -13.723 1.00 0.00 WT1 H ATOM 4185 H2 TIP3 362 -6.798 -32.017 6.572 1.00 0.00 WT1 H ATOM 4186 OH2 TIP3 363 3.916 -1.270 -2.688 1.00 0.00 WT1 O ATOM 4187 H1 TIP3 363 -3.498 12.945 -4.326 1.00 0.00 WT1 H ATOM 4188 H2 TIP3 363 -0.299 1.359 4.825 1.00 0.00 WT1 H ATOM 4189 OH2 TIP3 364 -3.212 -1.365 -2.329 1.00 0.00 WT1 O ATOM 4190 H1 TIP3 364 -8.831 5.735 -0.270 1.00 0.00 WT1 H ATOM 4191 H2 TIP3 364 22.145 8.760 0.669 1.00 0.00 WT1 H ATOM 4192 OH2 TIP3 365 8.216 1.775 3.204 1.00 0.00 WT1 O ATOM 4193 H1 TIP3 365 -3.335 1.924 19.478 1.00 0.00 WT1 H ATOM 4194 H2 TIP3 365 1.873 2.101 12.044 1.00 0.00 WT1 H ATOM 4195 OH2 TIP3 366 3.605 1.957 -0.041 1.00 0.00 WT1 O ATOM 4196 H1 TIP3 366 15.722 -6.414 -13.430 1.00 0.00 WT1 H ATOM 4197 H2 TIP3 366 -17.536 0.447 -16.891 1.00 0.00 WT1 H ATOM 4198 OH2 TIP3 367 5.919 9.013 0.090 1.00 0.00 WT1 O ATOM 4199 H1 TIP3 367 -1.828 5.084 4.268 1.00 0.00 WT1 H ATOM 4200 H2 TIP3 367 -5.913 -8.011 9.586 1.00 0.00 WT1 H ATOM 4201 OH2 TIP3 368 4.421 0.751 1.548 1.00 0.00 WT1 O ATOM 4202 H1 TIP3 368 14.519 -15.394 -24.200 1.00 0.00 WT1 H ATOM 4203 H2 TIP3 368 1.830 -2.908 -11.843 1.00 0.00 WT1 H ATOM 4204 OH2 TIP3 369 3.159 -3.186 0.520 1.00 0.00 WT1 O ATOM 4205 H1 TIP3 369 2.160 -8.734 -6.050 1.00 0.00 WT1 H ATOM 4206 H2 TIP3 369 -6.440 6.344 -3.036 1.00 0.00 WT1 H ATOM 4207 OH2 TIP3 370 -3.495 7.422 2.425 1.00 0.00 WT1 O ATOM 4208 H1 TIP3 370 8.051 -9.900 20.169 1.00 0.00 WT1 H ATOM 4209 H2 TIP3 370 2.542 15.188 -7.938 1.00 0.00 WT1 H ATOM 4210 OH2 TIP3 371 1.042 0.771 0.962 1.00 0.00 WT1 O ATOM 4211 H1 TIP3 371 3.241 -5.057 6.895 1.00 0.00 WT1 H ATOM 4212 H2 TIP3 371 9.285 -11.332 12.656 1.00 0.00 WT1 H ATOM 4213 OH2 TIP3 372 -0.925 -5.917 0.405 1.00 0.00 WT1 O ATOM 4214 H1 TIP3 372 -7.021 -0.583 3.683 1.00 0.00 WT1 H ATOM 4215 H2 TIP3 372 -4.376 13.413 2.386 1.00 0.00 WT1 H ATOM 4216 OH2 TIP3 373 4.704 -8.092 -6.731 1.00 0.00 WT1 O ATOM 4217 H1 TIP3 373 5.861 -7.418 -8.530 1.00 0.00 WT1 H ATOM 4218 H2 TIP3 373 -5.874 -15.308 32.245 1.00 0.00 WT1 H ATOM 4219 OH2 TIP3 374 -7.679 -6.756 -7.741 1.00 0.00 WT1 O ATOM 4220 H1 TIP3 374 -21.518 -27.698 0.680 1.00 0.00 WT1 H ATOM 4221 H2 TIP3 374 -30.706 -5.330 14.517 1.00 0.00 WT1 H ATOM 4222 OH2 TIP3 375 0.304 -1.662 -7.483 1.00 0.00 WT1 O ATOM 4223 H1 TIP3 375 1.951 -5.916 -32.594 1.00 0.00 WT1 H ATOM 4224 H2 TIP3 375 3.295 1.283 -0.370 1.00 0.00 WT1 H ATOM 4225 OH2 TIP3 376 1.512 2.067 6.177 1.00 0.00 WT1 O ATOM 4226 H1 TIP3 376 2.734 -1.805 10.042 1.00 0.00 WT1 H ATOM 4227 H2 TIP3 376 2.211 -3.037 2.320 1.00 0.00 WT1 H ATOM 4228 OH2 TIP3 377 -3.589 -3.259 3.635 1.00 0.00 WT1 O ATOM 4229 H1 TIP3 377 -22.401 -8.652 2.215 1.00 0.00 WT1 H ATOM 4230 H2 TIP3 377 -15.869 -0.865 -1.443 1.00 0.00 WT1 H ATOM 4231 OH2 TIP3 378 1.353 -6.205 -2.871 1.00 0.00 WT1 O ATOM 4232 H1 TIP3 378 3.723 6.881 12.465 1.00 0.00 WT1 H ATOM 4233 H2 TIP3 378 1.849 17.358 12.880 1.00 0.00 WT1 H ATOM 4234 OH2 TIP3 379 -1.145 -2.433 -1.110 1.00 0.00 WT1 O ATOM 4235 H1 TIP3 379 -2.185 -2.095 -3.346 1.00 0.00 WT1 H ATOM 4236 H2 TIP3 379 26.252 1.434 -7.183 1.00 0.00 WT1 H ATOM 4237 OH2 TIP3 380 -4.300 2.040 -5.879 1.00 0.00 WT1 O ATOM 4238 H1 TIP3 380 -9.114 3.812 -3.233 1.00 0.00 WT1 H ATOM 4239 H2 TIP3 380 -14.369 5.278 0.724 1.00 0.00 WT1 H ATOM 4240 OH2 TIP3 381 -3.293 -2.454 -3.032 1.00 0.00 WT1 O ATOM 4241 H1 TIP3 381 -0.068 2.506 -8.492 1.00 0.00 WT1 H ATOM 4242 H2 TIP3 381 -6.810 -5.603 -1.509 1.00 0.00 WT1 H ATOM 4243 OH2 TIP3 382 4.469 -3.340 -1.651 1.00 0.00 WT1 O ATOM 4244 H1 TIP3 382 0.811 -0.894 -0.103 1.00 0.00 WT1 H ATOM 4245 H2 TIP3 382 -3.854 7.968 2.288 1.00 0.00 WT1 H ATOM 4246 OH2 TIP3 383 -4.496 -0.421 -4.475 1.00 0.00 WT1 O ATOM 4247 H1 TIP3 383 -2.833 6.984 -14.222 1.00 0.00 WT1 H ATOM 4248 H2 TIP3 383 -8.510 9.837 20.487 1.00 0.00 WT1 H ATOM 4249 OH2 TIP3 384 -0.791 3.291 0.373 1.00 0.00 WT1 O ATOM 4250 H1 TIP3 384 -9.122 20.382 14.223 1.00 0.00 WT1 H ATOM 4251 H2 TIP3 384 8.298 1.623 11.376 1.00 0.00 WT1 H ATOM 4252 OH2 TIP3 385 0.455 -2.060 -10.635 1.00 0.00 WT1 O ATOM 4253 H1 TIP3 385 4.025 -1.660 -10.634 1.00 0.00 WT1 H ATOM 4254 H2 TIP3 385 25.830 -2.286 4.302 1.00 0.00 WT1 H ATOM 4255 OH2 TIP3 386 0.342 2.155 0.540 1.00 0.00 WT1 O ATOM 4256 H1 TIP3 386 -3.851 -1.468 -0.991 1.00 0.00 WT1 H ATOM 4257 H2 TIP3 386 -11.652 14.343 5.210 1.00 0.00 WT1 H ATOM 4258 OH2 TIP3 387 0.135 -1.001 6.296 1.00 0.00 WT1 O ATOM 4259 H1 TIP3 387 10.427 -3.639 11.038 1.00 0.00 WT1 H ATOM 4260 H2 TIP3 387 -0.116 -6.951 -0.394 1.00 0.00 WT1 H ATOM 4261 OH2 TIP3 388 3.118 -4.471 -1.793 1.00 0.00 WT1 O ATOM 4262 H1 TIP3 388 -3.979 4.598 13.602 1.00 0.00 WT1 H ATOM 4263 H2 TIP3 388 6.804 2.794 10.216 1.00 0.00 WT1 H ATOM 4264 OH2 TIP3 389 -5.432 -0.655 -0.203 1.00 0.00 WT1 O ATOM 4265 H1 TIP3 389 -14.554 -6.540 -0.271 1.00 0.00 WT1 H ATOM 4266 H2 TIP3 389 1.933 3.231 0.874 1.00 0.00 WT1 H ATOM 4267 OH2 TIP3 390 0.378 4.863 -4.500 1.00 0.00 WT1 O ATOM 4268 H1 TIP3 390 -7.773 2.602 -22.882 1.00 0.00 WT1 H ATOM 4269 H2 TIP3 390 2.748 -3.335 1.170 1.00 0.00 WT1 H ATOM 4270 OH2 TIP3 391 -0.793 -3.881 0.960 1.00 0.00 WT1 O ATOM 4271 H1 TIP3 391 -5.363 -12.503 2.646 1.00 0.00 WT1 H ATOM 4272 H2 TIP3 391 6.413 7.551 3.061 1.00 0.00 WT1 H ATOM 4273 OH2 TIP3 392 -3.645 -6.299 0.400 1.00 0.00 WT1 O ATOM 4274 H1 TIP3 392 -15.412 -16.516 -12.413 1.00 0.00 WT1 H ATOM 4275 H2 TIP3 392 -23.270 -4.876 -20.698 1.00 0.00 WT1 H ATOM 4276 OH2 TIP3 393 5.191 -4.719 3.298 1.00 0.00 WT1 O ATOM 4277 H1 TIP3 393 5.152 -20.228 -14.687 1.00 0.00 WT1 H ATOM 4278 H2 TIP3 393 -15.216 6.615 2.421 1.00 0.00 WT1 H ATOM 4279 OH2 TIP3 394 -0.546 2.432 -0.581 1.00 0.00 WT1 O ATOM 4280 H1 TIP3 394 5.876 13.073 7.388 1.00 0.00 WT1 H ATOM 4281 H2 TIP3 394 5.849 -11.340 12.401 1.00 0.00 WT1 H ATOM 4282 OH2 TIP3 395 0.676 3.499 -0.429 1.00 0.00 WT1 O ATOM 4283 H1 TIP3 395 -7.040 -21.350 -21.830 1.00 0.00 WT1 H ATOM 4284 H2 TIP3 395 4.327 3.274 -6.347 1.00 0.00 WT1 H ATOM 4285 OH2 TIP3 396 -4.089 1.306 -6.693 1.00 0.00 WT1 O ATOM 4286 H1 TIP3 396 -2.335 -9.605 -9.783 1.00 0.00 WT1 H ATOM 4287 H2 TIP3 396 7.241 4.912 -3.211 1.00 0.00 WT1 H ATOM 4288 OH2 TIP3 397 -0.717 -0.649 1.271 1.00 0.00 WT1 O ATOM 4289 H1 TIP3 397 -0.309 10.171 -1.717 1.00 0.00 WT1 H ATOM 4290 H2 TIP3 397 3.322 -2.775 -14.319 1.00 0.00 WT1 H ATOM 4291 OH2 TIP3 399 1.736 2.134 -4.046 1.00 0.00 WT1 O ATOM 4292 H1 TIP3 399 3.178 2.263 -13.632 1.00 0.00 WT1 H ATOM 4293 H2 TIP3 399 9.780 12.015 1.677 1.00 0.00 WT1 H ATOM 4294 OH2 TIP3 400 -6.248 2.745 5.499 1.00 0.00 WT1 O ATOM 4295 H1 TIP3 400 -4.206 -28.390 1.084 1.00 0.00 WT1 H ATOM 4296 H2 TIP3 400 -0.513 -7.816 -1.497 1.00 0.00 WT1 H ATOM 4297 OH2 TIP3 401 -1.891 0.313 0.739 1.00 0.00 WT1 O ATOM 4298 H1 TIP3 401 2.377 -15.849 -12.520 1.00 0.00 WT1 H ATOM 4299 H2 TIP3 401 4.925 23.575 -9.411 1.00 0.00 WT1 H ATOM 4300 OH2 TIP3 402 -7.735 -3.668 1.702 1.00 0.00 WT1 O ATOM 4301 H1 TIP3 402 -15.218 -9.743 -10.593 1.00 0.00 WT1 H ATOM 4302 H2 TIP3 402 7.641 2.940 15.236 1.00 0.00 WT1 H ATOM 4303 OH2 TIP3 403 -1.826 2.961 -1.954 1.00 0.00 WT1 O ATOM 4304 H1 TIP3 403 -12.567 -0.832 -15.082 1.00 0.00 WT1 H ATOM 4305 H2 TIP3 403 3.727 23.389 -5.198 1.00 0.00 WT1 H ATOM 4306 OH2 TIP3 404 -5.377 7.856 2.416 1.00 0.00 WT1 O ATOM 4307 H1 TIP3 404 26.881 -3.794 -8.742 1.00 0.00 WT1 H ATOM 4308 H2 TIP3 404 -22.043 -3.510 -14.657 1.00 0.00 WT1 H ATOM 4309 OH2 TIP3 405 -2.878 2.048 -3.120 1.00 0.00 WT1 O ATOM 4310 H1 TIP3 405 -8.377 21.376 13.977 1.00 0.00 WT1 H ATOM 4311 H2 TIP3 405 4.432 29.123 9.018 1.00 0.00 WT1 H ATOM 4312 OH2 TIP3 406 -7.888 5.553 1.642 1.00 0.00 WT1 O ATOM 4313 H1 TIP3 406 -6.788 14.929 4.019 1.00 0.00 WT1 H ATOM 4314 H2 TIP3 406 -9.187 1.284 10.319 1.00 0.00 WT1 H ATOM 4315 OH2 TIP3 407 1.982 2.763 5.424 1.00 0.00 WT1 O ATOM 4316 H1 TIP3 407 14.320 -7.576 12.614 1.00 0.00 WT1 H ATOM 4317 H2 TIP3 407 9.137 -0.746 7.807 1.00 0.00 WT1 H ATOM 4318 OH2 TIP3 408 7.968 0.172 1.506 1.00 0.00 WT1 O ATOM 4319 H1 TIP3 408 7.679 -8.717 5.530 1.00 0.00 WT1 H ATOM 4320 H2 TIP3 408 2.043 -14.033 -4.454 1.00 0.00 WT1 H ATOM 4321 OH2 TIP3 409 5.515 0.297 3.750 1.00 0.00 WT1 O ATOM 4322 H1 TIP3 409 5.219 -7.819 -2.345 1.00 0.00 WT1 H ATOM 4323 H2 TIP3 409 3.309 -0.015 8.849 1.00 0.00 WT1 H ATOM 4324 OH2 TIP3 411 -1.099 -0.900 -0.743 1.00 0.00 WT1 O ATOM 4325 H1 TIP3 411 16.848 14.073 10.081 1.00 0.00 WT1 H ATOM 4326 H2 TIP3 411 13.426 -2.644 1.831 1.00 0.00 WT1 H ATOM 4327 OH2 TIP3 412 -3.252 3.650 2.979 1.00 0.00 WT1 O ATOM 4328 H1 TIP3 412 4.597 0.827 -5.120 1.00 0.00 WT1 H ATOM 4329 H2 TIP3 412 -12.166 15.877 5.330 1.00 0.00 WT1 H ATOM 4330 OH2 TIP3 413 -1.628 4.207 2.180 1.00 0.00 WT1 O ATOM 4331 H1 TIP3 413 9.638 -18.695 15.475 1.00 0.00 WT1 H ATOM 4332 H2 TIP3 413 9.403 23.446 13.588 1.00 0.00 WT1 H ATOM 4333 OH2 TIP3 414 2.418 0.814 -2.204 1.00 0.00 WT1 O ATOM 4334 H1 TIP3 414 7.345 5.037 0.836 1.00 0.00 WT1 H ATOM 4335 H2 TIP3 414 -1.358 6.579 -5.508 1.00 0.00 WT1 H ATOM 4336 OH2 TIP3 415 -6.524 1.389 -1.109 1.00 0.00 WT1 O ATOM 4337 H1 TIP3 415 22.982 2.181 3.472 1.00 0.00 WT1 H ATOM 4338 H2 TIP3 415 1.989 1.416 8.539 1.00 0.00 WT1 H ATOM 4339 OH2 TIP3 417 -7.684 -4.914 0.518 1.00 0.00 WT1 O ATOM 4340 H1 TIP3 417 -7.778 -19.971 -21.393 1.00 0.00 WT1 H ATOM 4341 H2 TIP3 417 14.074 -9.171 16.163 1.00 0.00 WT1 H ATOM 4342 OH2 TIP3 418 1.105 4.956 -1.701 1.00 0.00 WT1 O ATOM 4343 H1 TIP3 418 3.464 -9.442 2.127 1.00 0.00 WT1 H ATOM 4344 H2 TIP3 418 33.177 -1.884 4.766 1.00 0.00 WT1 H ATOM 4345 OH2 TIP3 419 -0.917 0.419 -3.983 1.00 0.00 WT1 O ATOM 4346 H1 TIP3 419 -2.581 -28.269 -6.759 1.00 0.00 WT1 H ATOM 4347 H2 TIP3 419 -17.031 -6.536 9.877 1.00 0.00 WT1 H ATOM 4348 OH2 TIP3 420 -0.396 -5.447 -4.841 1.00 0.00 WT1 O ATOM 4349 H1 TIP3 420 4.663 -11.872 -7.010 1.00 0.00 WT1 H ATOM 4350 H2 TIP3 420 15.816 -23.924 -3.816 1.00 0.00 WT1 H ATOM 4351 OH2 TIP3 421 0.588 -1.417 -2.698 1.00 0.00 WT1 O ATOM 4352 H1 TIP3 421 -17.777 13.072 -4.435 1.00 0.00 WT1 H ATOM 4353 H2 TIP3 421 -0.446 -7.677 23.404 1.00 0.00 WT1 H ATOM 4354 OH2 TIP3 422 -0.180 7.151 0.999 1.00 0.00 WT1 O ATOM 4355 H1 TIP3 422 -32.000 4.011 8.502 1.00 0.00 WT1 H ATOM 4356 H2 TIP3 422 -5.358 6.845 0.359 1.00 0.00 WT1 H ATOM 4357 OH2 TIP3 423 -4.582 -0.940 -3.866 1.00 0.00 WT1 O ATOM 4358 H1 TIP3 423 -14.305 13.651 -6.892 1.00 0.00 WT1 H ATOM 4359 H2 TIP3 423 -3.111 23.229 18.056 1.00 0.00 WT1 H ATOM 4360 OH2 TIP3 424 -2.173 2.352 -0.856 1.00 0.00 WT1 O ATOM 4361 H1 TIP3 424 17.787 -33.074 -3.457 1.00 0.00 WT1 H ATOM 4362 H2 TIP3 424 8.591 -3.472 -4.898 1.00 0.00 WT1 H ATOM 4363 OH2 TIP3 425 -1.306 8.529 0.564 1.00 0.00 WT1 O ATOM 4364 H1 TIP3 425 -12.458 0.201 21.979 1.00 0.00 WT1 H ATOM 4365 H2 TIP3 425 14.988 18.658 -17.268 1.00 0.00 WT1 H ATOM 4366 OH2 TIP3 426 1.401 1.342 -0.206 1.00 0.00 WT1 O ATOM 4367 H1 TIP3 426 -3.448 3.732 5.548 1.00 0.00 WT1 H ATOM 4368 H2 TIP3 426 -1.224 3.378 0.020 1.00 0.00 WT1 H ATOM 4369 OH2 TIP3 427 3.423 4.254 3.689 1.00 0.00 WT1 O ATOM 4370 H1 TIP3 427 -1.728 -1.789 12.298 1.00 0.00 WT1 H ATOM 4371 H2 TIP3 427 -1.963 -4.759 14.810 1.00 0.00 WT1 H ATOM 4372 OH2 TIP3 428 0.541 -2.069 -3.005 1.00 0.00 WT1 O ATOM 4373 H1 TIP3 428 -3.073 -9.285 -0.350 1.00 0.00 WT1 H ATOM 4374 H2 TIP3 428 18.673 19.906 -16.504 1.00 0.00 WT1 H ATOM 4375 OH2 TIP3 429 -0.695 1.556 7.169 1.00 0.00 WT1 O ATOM 4376 H1 TIP3 429 -0.083 10.368 5.360 1.00 0.00 WT1 H ATOM 4377 H2 TIP3 429 1.945 -2.606 17.505 1.00 0.00 WT1 H ATOM 4378 OH2 TIP3 430 -1.120 -2.886 7.725 1.00 0.00 WT1 O ATOM 4379 H1 TIP3 430 -14.955 20.133 3.520 1.00 0.00 WT1 H ATOM 4380 H2 TIP3 430 30.601 4.265 10.292 1.00 0.00 WT1 H ATOM 4381 OH2 TIP3 431 5.490 -1.239 3.872 1.00 0.00 WT1 O ATOM 4382 H1 TIP3 431 4.018 2.920 15.270 1.00 0.00 WT1 H ATOM 4383 H2 TIP3 431 5.894 1.381 16.055 1.00 0.00 WT1 H ATOM 4384 OH2 TIP3 432 -6.559 -0.533 -4.404 1.00 0.00 WT1 O ATOM 4385 H1 TIP3 432 -18.426 -15.090 -8.078 1.00 0.00 WT1 H ATOM 4386 H2 TIP3 432 0.220 10.090 -1.866 1.00 0.00 WT1 H ATOM 4387 OH2 TIP3 433 3.942 1.180 -0.498 1.00 0.00 WT1 O ATOM 4388 H1 TIP3 433 4.285 9.710 13.571 1.00 0.00 WT1 H ATOM 4389 H2 TIP3 433 20.592 -3.504 -8.642 1.00 0.00 WT1 H ATOM 4390 OH2 TIP3 434 0.853 3.505 -1.468 1.00 0.00 WT1 O ATOM 4391 H1 TIP3 434 6.079 -24.311 7.672 1.00 0.00 WT1 H ATOM 4392 H2 TIP3 434 13.969 12.745 -1.066 1.00 0.00 WT1 H ATOM 4393 OH2 TIP3 435 0.155 -0.120 4.524 1.00 0.00 WT1 O ATOM 4394 H1 TIP3 435 -3.945 6.857 -12.738 1.00 0.00 WT1 H ATOM 4395 H2 TIP3 435 15.855 -4.134 7.340 1.00 0.00 WT1 H ATOM 4396 OH2 TIP3 436 -3.943 2.725 -9.095 1.00 0.00 WT1 O ATOM 4397 H1 TIP3 436 -11.958 4.131 3.075 1.00 0.00 WT1 H ATOM 4398 H2 TIP3 436 19.241 -6.167 -39.048 1.00 0.00 WT1 H ATOM 4399 OH2 TIP3 437 4.414 -4.231 2.587 1.00 0.00 WT1 O ATOM 4400 H1 TIP3 437 -6.025 -9.311 29.337 1.00 0.00 WT1 H ATOM 4401 H2 TIP3 437 -4.384 17.339 1.566 1.00 0.00 WT1 H ATOM 4402 OH2 TIP3 438 -3.885 1.069 1.650 1.00 0.00 WT1 O ATOM 4403 H1 TIP3 438 9.984 1.279 -8.228 1.00 0.00 WT1 H ATOM 4404 H2 TIP3 438 9.200 -7.083 14.970 1.00 0.00 WT1 H ATOM 4405 OH2 TIP3 439 -2.759 1.482 -0.410 1.00 0.00 WT1 O ATOM 4406 H1 TIP3 439 -7.761 -6.555 -20.513 1.00 0.00 WT1 H ATOM 4407 H2 TIP3 439 -2.607 0.209 9.090 1.00 0.00 WT1 H ATOM 4408 OH2 TIP3 440 -5.932 -9.574 -1.529 1.00 0.00 WT1 O ATOM 4409 H1 TIP3 440 13.936 2.441 -17.082 1.00 0.00 WT1 H ATOM 4410 H2 TIP3 440 -30.084 -10.820 13.102 1.00 0.00 WT1 H ATOM 4411 OH2 TIP3 441 -2.999 3.177 -7.692 1.00 0.00 WT1 O ATOM 4412 H1 TIP3 441 -5.073 12.818 11.396 1.00 0.00 WT1 H ATOM 4413 H2 TIP3 441 -1.510 -8.727 -12.232 1.00 0.00 WT1 H ATOM 4414 OH2 TIP3 442 -2.910 -3.064 -0.370 1.00 0.00 WT1 O ATOM 4415 H1 TIP3 442 -3.539 -9.631 -4.694 1.00 0.00 WT1 H ATOM 4416 H2 TIP3 442 -10.475 -1.451 0.693 1.00 0.00 WT1 H ATOM 4417 OH2 TIP3 443 4.998 1.748 0.070 1.00 0.00 WT1 O ATOM 4418 H1 TIP3 443 1.424 -5.589 -6.436 1.00 0.00 WT1 H ATOM 4419 H2 TIP3 443 4.320 20.234 1.564 1.00 0.00 WT1 H ATOM 4420 OH2 TIP3 444 2.431 6.006 -0.348 1.00 0.00 WT1 O ATOM 4421 H1 TIP3 444 -2.874 0.960 -5.312 1.00 0.00 WT1 H ATOM 4422 H2 TIP3 444 10.250 10.023 6.310 1.00 0.00 WT1 H ATOM 4423 OH2 TIP3 446 0.788 4.606 0.269 1.00 0.00 WT1 O ATOM 4424 H1 TIP3 446 -2.915 -16.654 -3.099 1.00 0.00 WT1 H ATOM 4425 H2 TIP3 446 18.933 6.658 -12.491 1.00 0.00 WT1 H ATOM 4426 OH2 TIP3 447 -0.796 -0.473 0.537 1.00 0.00 WT1 O ATOM 4427 H1 TIP3 447 -13.410 9.437 2.239 1.00 0.00 WT1 H ATOM 4428 H2 TIP3 447 6.922 -9.525 0.798 1.00 0.00 WT1 H ATOM 4429 OH2 TIP3 448 -1.186 6.496 3.582 1.00 0.00 WT1 O ATOM 4430 H1 TIP3 448 -6.078 -7.845 -15.205 1.00 0.00 WT1 H ATOM 4431 H2 TIP3 448 3.229 14.098 -13.358 1.00 0.00 WT1 H ATOM 4432 OH2 TIP3 450 -1.574 3.626 -6.524 1.00 0.00 WT1 O ATOM 4433 H1 TIP3 450 -29.410 0.306 -24.076 1.00 0.00 WT1 H ATOM 4434 H2 TIP3 450 22.647 5.609 -29.805 1.00 0.00 WT1 H ATOM 4435 OH2 TIP3 451 4.185 2.272 1.001 1.00 0.00 WT1 O ATOM 4436 H1 TIP3 451 24.700 7.335 4.146 1.00 0.00 WT1 H ATOM 4437 H2 TIP3 451 6.857 0.251 -15.753 1.00 0.00 WT1 H ATOM 4438 OH2 TIP3 452 6.337 -0.524 3.810 1.00 0.00 WT1 O ATOM 4439 H1 TIP3 452 -9.377 7.992 5.597 1.00 0.00 WT1 H ATOM 4440 H2 TIP3 452 35.930 -5.854 13.301 1.00 0.00 WT1 H ATOM 4441 OH2 TIP3 453 -4.163 -1.374 7.304 1.00 0.00 WT1 O ATOM 4442 H1 TIP3 453 -10.496 -6.305 12.109 1.00 0.00 WT1 H ATOM 4443 H2 TIP3 453 3.716 -3.326 2.152 1.00 0.00 WT1 H ATOM 4444 OH2 TIP3 454 -5.313 -2.156 4.515 1.00 0.00 WT1 O ATOM 4445 H1 TIP3 454 -13.659 -0.056 7.319 1.00 0.00 WT1 H ATOM 4446 H2 TIP3 454 -7.403 10.497 2.438 1.00 0.00 WT1 H ATOM 4447 OH2 TIP3 455 5.119 -1.435 0.267 1.00 0.00 WT1 O ATOM 4448 H1 TIP3 455 11.476 -4.821 -0.373 1.00 0.00 WT1 H ATOM 4449 H2 TIP3 455 1.034 0.689 -3.521 1.00 0.00 WT1 H ATOM 4450 OH2 TIP3 456 5.129 -3.414 -4.837 1.00 0.00 WT1 O ATOM 4451 H1 TIP3 456 18.518 2.459 8.367 1.00 0.00 WT1 H ATOM 4452 H2 TIP3 456 -10.564 -11.290 -1.843 1.00 0.00 WT1 H ATOM 4453 OH2 TIP3 457 7.453 -1.662 2.938 1.00 0.00 WT1 O ATOM 4454 H1 TIP3 457 26.627 -12.665 8.180 1.00 0.00 WT1 H ATOM 4455 H2 TIP3 457 -1.651 3.816 0.368 1.00 0.00 WT1 H ATOM 4456 OH2 TIP3 458 -2.127 0.603 3.817 1.00 0.00 WT1 O ATOM 4457 H1 TIP3 458 -3.162 -10.708 0.871 1.00 0.00 WT1 H ATOM 4458 H2 TIP3 458 -6.673 4.475 9.250 1.00 0.00 WT1 H ATOM 4459 OH2 TIP3 459 3.172 -4.935 -2.524 1.00 0.00 WT1 O ATOM 4460 H1 TIP3 459 4.804 -25.527 4.622 1.00 0.00 WT1 H ATOM 4461 H2 TIP3 459 4.300 -7.310 -2.838 1.00 0.00 WT1 H ATOM 4462 OH2 TIP3 460 1.058 -4.140 0.957 1.00 0.00 WT1 O ATOM 4463 H1 TIP3 460 -9.063 1.418 -2.945 1.00 0.00 WT1 H ATOM 4464 H2 TIP3 460 -6.750 -3.022 0.269 1.00 0.00 WT1 H ATOM 4465 OH2 TIP3 461 -4.049 -3.802 -2.124 1.00 0.00 WT1 O ATOM 4466 H1 TIP3 461 24.360 27.822 -1.315 1.00 0.00 WT1 H ATOM 4467 H2 TIP3 461 -1.097 -11.524 3.136 1.00 0.00 WT1 H ATOM 4468 OH2 TIP3 462 1.780 -8.299 -2.763 1.00 0.00 WT1 O ATOM 4469 H1 TIP3 462 1.332 -8.424 -3.637 1.00 0.00 WT1 H ATOM 4470 H2 TIP3 462 1.622 9.817 -22.765 1.00 0.00 WT1 H ATOM 4471 OH2 TIP3 463 1.479 -1.549 -3.313 1.00 0.00 WT1 O ATOM 4472 H1 TIP3 463 3.073 -2.894 -4.306 1.00 0.00 WT1 H ATOM 4473 H2 TIP3 463 -3.850 -0.347 4.833 1.00 0.00 WT1 H ATOM 4474 OH2 TIP3 465 -3.474 2.885 -8.837 1.00 0.00 WT1 O ATOM 4475 H1 TIP3 465 5.350 10.027 -8.786 1.00 0.00 WT1 H ATOM 4476 H2 TIP3 465 -8.554 6.444 2.321 1.00 0.00 WT1 H ATOM 4477 OH2 TIP3 466 -2.183 0.582 -1.544 1.00 0.00 WT1 O ATOM 4478 H1 TIP3 466 -10.406 5.141 -14.514 1.00 0.00 WT1 H ATOM 4479 H2 TIP3 466 2.424 -2.348 5.975 1.00 0.00 WT1 H ATOM 4480 OH2 TIP3 467 -6.031 -6.257 4.984 1.00 0.00 WT1 O ATOM 4481 H1 TIP3 467 11.612 13.026 -2.554 1.00 0.00 WT1 H ATOM 4482 H2 TIP3 467 1.639 7.805 -2.183 1.00 0.00 WT1 H ATOM 4483 OH2 TIP3 468 -6.322 1.800 2.840 1.00 0.00 WT1 O ATOM 4484 H1 TIP3 468 7.714 2.117 -0.784 1.00 0.00 WT1 H ATOM 4485 H2 TIP3 468 18.601 5.410 -6.317 1.00 0.00 WT1 H ATOM 4486 OH2 TIP3 469 -2.357 -4.453 -4.033 1.00 0.00 WT1 O ATOM 4487 H1 TIP3 469 -6.878 -4.880 11.604 1.00 0.00 WT1 H ATOM 4488 H2 TIP3 469 7.651 0.168 -2.115 1.00 0.00 WT1 H ATOM 4489 OH2 TIP3 470 -3.098 1.396 -1.603 1.00 0.00 WT1 O ATOM 4490 H1 TIP3 470 1.634 9.409 -12.655 1.00 0.00 WT1 H ATOM 4491 H2 TIP3 470 8.572 -2.245 12.082 1.00 0.00 WT1 H ATOM 4492 OH2 TIP3 471 -3.831 3.147 -4.957 1.00 0.00 WT1 O ATOM 4493 H1 TIP3 471 -11.123 1.327 3.261 1.00 0.00 WT1 H ATOM 4494 H2 TIP3 471 -22.185 -1.487 12.313 1.00 0.00 WT1 H ATOM 4495 OH2 TIP3 472 6.679 -2.707 -0.562 1.00 0.00 WT1 O ATOM 4496 H1 TIP3 472 15.171 -6.855 -8.218 1.00 0.00 WT1 H ATOM 4497 H2 TIP3 472 7.647 9.369 -2.222 1.00 0.00 WT1 H ATOM 4498 OH2 TIP3 473 -2.658 0.552 0.362 1.00 0.00 WT1 O ATOM 4499 H1 TIP3 473 -1.477 0.518 -5.888 1.00 0.00 WT1 H ATOM 4500 H2 TIP3 473 -10.371 2.291 -3.522 1.00 0.00 WT1 H ATOM 4501 OH2 TIP3 474 2.353 -0.267 -4.726 1.00 0.00 WT1 O ATOM 4502 H1 TIP3 474 14.987 -3.430 9.254 1.00 0.00 WT1 H ATOM 4503 H2 TIP3 474 -1.113 0.963 -3.495 1.00 0.00 WT1 H ATOM 4504 OH2 TIP3 475 -1.875 -4.623 12.272 1.00 0.00 WT1 O ATOM 4505 H1 TIP3 475 -15.471 4.994 21.496 1.00 0.00 WT1 H ATOM 4506 H2 TIP3 475 10.634 4.577 20.682 1.00 0.00 WT1 H ATOM 4507 OH2 TIP3 476 2.897 0.853 -7.317 1.00 0.00 WT1 O ATOM 4508 H1 TIP3 476 21.908 30.658 -10.459 1.00 0.00 WT1 H ATOM 4509 H2 TIP3 476 7.629 -1.169 -12.745 1.00 0.00 WT1 H ATOM 4510 OH2 TIP3 477 -0.898 6.340 2.851 1.00 0.00 WT1 O ATOM 4511 H1 TIP3 477 -32.134 -20.786 -13.906 1.00 0.00 WT1 H ATOM 4512 H2 TIP3 477 -0.196 -10.949 -7.721 1.00 0.00 WT1 H ATOM 4513 OH2 TIP3 478 7.984 5.698 1.150 1.00 0.00 WT1 O ATOM 4514 H1 TIP3 478 -10.144 6.829 0.676 1.00 0.00 WT1 H ATOM 4515 H2 TIP3 478 23.560 -8.006 -14.168 1.00 0.00 WT1 H ATOM 4516 OH2 TIP3 479 3.481 7.430 -0.970 1.00 0.00 WT1 O ATOM 4517 H1 TIP3 479 -12.009 11.410 2.062 1.00 0.00 WT1 H ATOM 4518 H2 TIP3 479 4.283 -12.580 12.467 1.00 0.00 WT1 H ATOM 4519 OH2 TIP3 480 -2.635 0.515 -7.244 1.00 0.00 WT1 O ATOM 4520 H1 TIP3 480 -5.029 -2.002 -0.140 1.00 0.00 WT1 H ATOM 4521 H2 TIP3 480 -8.692 1.224 -12.564 1.00 0.00 WT1 H ATOM 4522 OH2 TIP3 481 1.417 -9.764 -1.545 1.00 0.00 WT1 O ATOM 4523 H1 TIP3 481 -21.530 -6.056 15.063 1.00 0.00 WT1 H ATOM 4524 H2 TIP3 481 -13.936 1.899 2.581 1.00 0.00 WT1 H ATOM 4525 OH2 TIP3 482 1.888 1.033 3.267 1.00 0.00 WT1 O ATOM 4526 H1 TIP3 482 -7.571 40.281 12.207 1.00 0.00 WT1 H ATOM 4527 H2 TIP3 482 -12.848 -16.543 7.129 1.00 0.00 WT1 H ATOM 4528 OH2 TIP3 483 5.060 -1.000 3.727 1.00 0.00 WT1 O ATOM 4529 H1 TIP3 483 7.136 8.838 -0.878 1.00 0.00 WT1 H ATOM 4530 H2 TIP3 483 -9.276 9.502 -5.370 1.00 0.00 WT1 H ATOM 4531 OH2 TIP3 484 9.668 -7.566 6.103 1.00 0.00 WT1 O ATOM 4532 H1 TIP3 484 33.084 8.209 6.222 1.00 0.00 WT1 H ATOM 4533 H2 TIP3 484 1.868 0.830 -1.731 1.00 0.00 WT1 H ATOM 4534 OH2 TIP3 485 2.071 7.270 2.406 1.00 0.00 WT1 O ATOM 4535 H1 TIP3 485 12.914 -4.719 3.670 1.00 0.00 WT1 H ATOM 4536 H2 TIP3 485 1.104 -1.719 -4.389 1.00 0.00 WT1 H ATOM 4537 OH2 TIP3 486 5.088 5.420 -7.094 1.00 0.00 WT1 O ATOM 4538 H1 TIP3 486 5.652 -11.634 2.100 1.00 0.00 WT1 H ATOM 4539 H2 TIP3 486 -16.880 3.899 -0.299 1.00 0.00 WT1 H ATOM 4540 OH2 TIP3 487 -0.830 8.007 -1.328 1.00 0.00 WT1 O ATOM 4541 H1 TIP3 487 -0.818 4.764 -3.910 1.00 0.00 WT1 H ATOM 4542 H2 TIP3 487 -1.617 13.741 -12.278 1.00 0.00 WT1 H ATOM 4543 OH2 TIP3 488 -2.610 1.131 1.211 1.00 0.00 WT1 O ATOM 4544 H1 TIP3 488 -0.580 10.518 -7.504 1.00 0.00 WT1 H ATOM 4545 H2 TIP3 488 0.418 -5.643 -8.802 1.00 0.00 WT1 H ATOM 4546 OH2 TIP3 489 8.472 0.469 5.145 1.00 0.00 WT1 O ATOM 4547 H1 TIP3 489 14.651 17.313 -5.351 1.00 0.00 WT1 H ATOM 4548 H2 TIP3 489 -8.804 -0.258 13.747 1.00 0.00 WT1 H ATOM 4549 OH2 TIP3 490 2.565 0.596 3.830 1.00 0.00 WT1 O ATOM 4550 H1 TIP3 490 8.399 21.386 -2.352 1.00 0.00 WT1 H ATOM 4551 H2 TIP3 490 -3.225 -9.654 10.400 1.00 0.00 WT1 H ATOM 4552 OH2 TIP3 491 -2.689 3.941 5.057 1.00 0.00 WT1 O ATOM 4553 H1 TIP3 491 0.110 13.496 -10.087 1.00 0.00 WT1 H ATOM 4554 H2 TIP3 491 -2.692 1.452 10.236 1.00 0.00 WT1 H ATOM 4555 OH2 TIP3 492 7.708 0.647 1.371 1.00 0.00 WT1 O ATOM 4556 H1 TIP3 492 -4.994 14.568 -4.320 1.00 0.00 WT1 H ATOM 4557 H2 TIP3 492 14.100 -11.390 -18.769 1.00 0.00 WT1 H ATOM 4558 OH2 TIP3 493 3.208 -1.475 -5.063 1.00 0.00 WT1 O ATOM 4559 H1 TIP3 493 32.373 7.732 -0.916 1.00 0.00 WT1 H ATOM 4560 H2 TIP3 493 14.569 14.071 -0.131 1.00 0.00 WT1 H ATOM 4561 OH2 TIP3 494 -5.142 2.292 4.929 1.00 0.00 WT1 O ATOM 4562 H1 TIP3 494 -7.894 2.921 13.117 1.00 0.00 WT1 H ATOM 4563 H2 TIP3 494 1.823 21.474 0.130 1.00 0.00 WT1 H ATOM 4564 OH2 TIP3 495 -0.099 3.395 -2.144 1.00 0.00 WT1 O ATOM 4565 H1 TIP3 495 -12.878 -2.711 -1.462 1.00 0.00 WT1 H ATOM 4566 H2 TIP3 495 25.988 15.386 -2.343 1.00 0.00 WT1 H ATOM 4567 OH2 TIP3 496 6.612 3.780 0.700 1.00 0.00 WT1 O ATOM 4568 H1 TIP3 496 -8.687 -2.457 7.040 1.00 0.00 WT1 H ATOM 4569 H2 TIP3 496 -20.119 -8.553 8.074 1.00 0.00 WT1 H ATOM 4570 OH2 TIP3 497 -4.083 -3.519 -3.373 1.00 0.00 WT1 O ATOM 4571 H1 TIP3 497 -5.171 -1.736 -14.369 1.00 0.00 WT1 H ATOM 4572 H2 TIP3 497 -5.325 1.673 4.458 1.00 0.00 WT1 H ATOM 4573 OH2 TIP3 498 3.463 6.117 5.434 1.00 0.00 WT1 O ATOM 4574 H1 TIP3 498 -4.549 7.322 -2.046 1.00 0.00 WT1 H ATOM 4575 H2 TIP3 498 3.057 -2.474 13.094 1.00 0.00 WT1 H ATOM 4576 OH2 TIP3 499 3.009 -2.213 -0.591 1.00 0.00 WT1 O ATOM 4577 H1 TIP3 499 1.628 3.210 -4.980 1.00 0.00 WT1 H ATOM 4578 H2 TIP3 499 -3.935 15.129 2.320 1.00 0.00 WT1 H ATOM 4579 OH2 TIP3 500 4.887 -4.425 0.602 1.00 0.00 WT1 O ATOM 4580 H1 TIP3 500 14.369 -9.792 -18.845 1.00 0.00 WT1 H ATOM 4581 H2 TIP3 500 1.819 17.029 -0.924 1.00 0.00 WT1 H ATOM 4582 OH2 TIP3 501 4.438 -5.570 -2.643 1.00 0.00 WT1 O ATOM 4583 H1 TIP3 501 -0.531 -1.992 2.131 1.00 0.00 WT1 H ATOM 4584 H2 TIP3 501 5.664 -7.071 4.262 1.00 0.00 WT1 H ATOM 4585 OH2 TIP3 502 0.946 -3.704 -8.030 1.00 0.00 WT1 O ATOM 4586 H1 TIP3 502 -16.346 -30.466 -1.308 1.00 0.00 WT1 H ATOM 4587 H2 TIP3 502 -17.821 8.272 2.359 1.00 0.00 WT1 H ATOM 4588 OH2 TIP3 503 -0.359 -1.799 -4.404 1.00 0.00 WT1 O ATOM 4589 H1 TIP3 503 14.936 -3.135 3.148 1.00 0.00 WT1 H ATOM 4590 H2 TIP3 503 -4.135 18.032 -5.432 1.00 0.00 WT1 H ATOM 4591 OH2 TIP3 504 1.259 -3.154 1.731 1.00 0.00 WT1 O ATOM 4592 H1 TIP3 504 -3.515 -7.811 -5.404 1.00 0.00 WT1 H ATOM 4593 H2 TIP3 504 9.487 11.618 20.602 1.00 0.00 WT1 H ATOM 4594 OH2 TIP3 505 -0.857 -1.881 2.062 1.00 0.00 WT1 O ATOM 4595 H1 TIP3 505 9.357 12.479 -6.726 1.00 0.00 WT1 H ATOM 4596 H2 TIP3 505 8.431 -0.468 7.831 1.00 0.00 WT1 H ATOM 4597 OH2 TIP3 506 -3.167 2.020 -0.540 1.00 0.00 WT1 O ATOM 4598 H1 TIP3 506 -4.129 -3.637 -2.173 1.00 0.00 WT1 H ATOM 4599 H2 TIP3 506 8.587 -9.857 -12.830 1.00 0.00 WT1 H ATOM 4600 OH2 TIP3 507 1.222 0.138 -3.886 1.00 0.00 WT1 O ATOM 4601 H1 TIP3 507 -3.096 2.202 -3.744 1.00 0.00 WT1 H ATOM 4602 H2 TIP3 507 -1.528 -1.388 -6.111 1.00 0.00 WT1 H ATOM 4603 OH2 TIP3 508 6.039 7.264 -1.149 1.00 0.00 WT1 O ATOM 4604 H1 TIP3 508 5.197 15.999 -15.740 1.00 0.00 WT1 H ATOM 4605 H2 TIP3 508 8.137 20.289 3.300 1.00 0.00 WT1 H ATOM 4606 OH2 TIP3 509 -2.249 -5.476 6.040 1.00 0.00 WT1 O ATOM 4607 H1 TIP3 509 -8.857 -4.812 5.367 1.00 0.00 WT1 H ATOM 4608 H2 TIP3 509 2.751 -9.584 2.844 1.00 0.00 WT1 H ATOM 4609 OH2 TIP3 510 -4.471 -2.594 0.130 1.00 0.00 WT1 O ATOM 4610 H1 TIP3 510 6.940 -13.787 -6.102 1.00 0.00 WT1 H ATOM 4611 H2 TIP3 510 -5.622 -0.494 12.864 1.00 0.00 WT1 H ATOM 4612 OH2 TIP3 511 0.728 -7.272 -2.859 1.00 0.00 WT1 O ATOM 4613 H1 TIP3 511 -3.225 -4.439 -5.812 1.00 0.00 WT1 H ATOM 4614 H2 TIP3 511 -1.210 -5.125 -7.469 1.00 0.00 WT1 H ATOM 4615 OH2 TIP3 512 -0.779 -2.242 -0.267 1.00 0.00 WT1 O ATOM 4616 H1 TIP3 512 -5.834 -2.674 -2.324 1.00 0.00 WT1 H ATOM 4617 H2 TIP3 512 -0.039 -0.424 1.098 1.00 0.00 WT1 H ATOM 4618 OH2 TIP3 513 4.935 -0.433 -3.704 1.00 0.00 WT1 O ATOM 4619 H1 TIP3 513 4.055 -0.909 0.352 1.00 0.00 WT1 H ATOM 4620 H2 TIP3 513 7.443 0.424 -6.253 1.00 0.00 WT1 H ATOM 4621 OH2 TIP3 514 1.007 -5.518 1.786 1.00 0.00 WT1 O ATOM 4622 H1 TIP3 514 -4.871 0.283 -0.505 1.00 0.00 WT1 H ATOM 4623 H2 TIP3 514 -6.137 19.184 -0.462 1.00 0.00 WT1 H ATOM 4624 OH2 TIP3 515 1.527 -1.869 -1.688 1.00 0.00 WT1 O ATOM 4625 H1 TIP3 515 -12.478 -9.185 -14.356 1.00 0.00 WT1 H ATOM 4626 H2 TIP3 515 0.835 -5.902 -0.446 1.00 0.00 WT1 H ATOM 4627 OH2 TIP3 516 1.390 -6.352 2.476 1.00 0.00 WT1 O ATOM 4628 H1 TIP3 516 -4.262 -13.170 10.778 1.00 0.00 WT1 H ATOM 4629 H2 TIP3 516 -8.165 -9.873 5.841 1.00 0.00 WT1 H ATOM 4630 OH2 TIP3 517 -1.230 -6.912 -5.073 1.00 0.00 WT1 O ATOM 4631 H1 TIP3 517 4.046 -5.108 -5.388 1.00 0.00 WT1 H ATOM 4632 H2 TIP3 517 -19.823 -10.084 -3.093 1.00 0.00 WT1 H ATOM 4633 OH2 TIP3 518 8.930 -2.535 1.933 1.00 0.00 WT1 O ATOM 4634 H1 TIP3 518 20.768 -4.882 4.554 1.00 0.00 WT1 H ATOM 4635 H2 TIP3 518 22.461 -2.237 -8.584 1.00 0.00 WT1 H ATOM 4636 OH2 TIP3 519 0.484 -6.779 -1.153 1.00 0.00 WT1 O ATOM 4637 H1 TIP3 519 -4.971 -11.503 9.774 1.00 0.00 WT1 H ATOM 4638 H2 TIP3 519 4.702 -4.627 -7.260 1.00 0.00 WT1 H ATOM 4639 OH2 TIP3 521 0.753 2.847 0.242 1.00 0.00 WT1 O ATOM 4640 H1 TIP3 521 3.840 -13.044 -15.768 1.00 0.00 WT1 H ATOM 4641 H2 TIP3 521 2.595 2.971 -16.473 1.00 0.00 WT1 H ATOM 4642 OH2 TIP3 522 6.915 -1.337 -0.146 1.00 0.00 WT1 O ATOM 4643 H1 TIP3 522 24.882 -4.483 29.205 1.00 0.00 WT1 H ATOM 4644 H2 TIP3 522 -22.247 31.370 10.723 1.00 0.00 WT1 H ATOM 4645 OH2 TIP3 523 3.965 -8.290 2.170 1.00 0.00 WT1 O ATOM 4646 H1 TIP3 523 -2.830 -14.557 6.318 1.00 0.00 WT1 H ATOM 4647 H2 TIP3 523 15.779 -10.619 4.811 1.00 0.00 WT1 H ATOM 4648 OH2 TIP3 524 0.993 3.064 2.355 1.00 0.00 WT1 O ATOM 4649 H1 TIP3 524 -3.617 20.262 -10.625 1.00 0.00 WT1 H ATOM 4650 H2 TIP3 524 2.851 -10.356 24.392 1.00 0.00 WT1 H ATOM 4651 OH2 TIP3 525 -6.007 0.983 -0.346 1.00 0.00 WT1 O ATOM 4652 H1 TIP3 525 -13.625 11.816 33.343 1.00 0.00 WT1 H ATOM 4653 H2 TIP3 525 9.825 -18.628 -18.681 1.00 0.00 WT1 H ATOM 4654 OH2 TIP3 526 -3.412 7.129 2.715 1.00 0.00 WT1 O ATOM 4655 H1 TIP3 526 18.085 -1.266 3.407 1.00 0.00 WT1 H ATOM 4656 H2 TIP3 526 -11.749 0.807 -14.128 1.00 0.00 WT1 H ATOM 4657 OH2 TIP3 527 3.128 -1.319 3.885 1.00 0.00 WT1 O ATOM 4658 H1 TIP3 527 -6.251 9.259 8.038 1.00 0.00 WT1 H ATOM 4659 H2 TIP3 527 8.926 9.744 6.652 1.00 0.00 WT1 H ATOM 4660 OH2 TIP3 528 0.759 -4.592 -0.191 1.00 0.00 WT1 O ATOM 4661 H1 TIP3 528 13.822 -7.311 -5.250 1.00 0.00 WT1 H ATOM 4662 H2 TIP3 528 -2.546 11.661 -7.959 1.00 0.00 WT1 H ATOM 4663 OH2 TIP3 529 2.530 1.935 -3.173 1.00 0.00 WT1 O ATOM 4664 H1 TIP3 529 -4.529 -6.638 -0.061 1.00 0.00 WT1 H ATOM 4665 H2 TIP3 529 -3.048 10.949 -7.939 1.00 0.00 WT1 H ATOM 4666 OH2 TIP3 530 -3.024 1.518 3.461 1.00 0.00 WT1 O ATOM 4667 H1 TIP3 530 -9.175 1.480 -1.159 1.00 0.00 WT1 H ATOM 4668 H2 TIP3 530 18.643 -5.452 20.570 1.00 0.00 WT1 H ATOM 4669 OH2 TIP3 531 1.206 2.536 4.274 1.00 0.00 WT1 O ATOM 4670 H1 TIP3 531 -4.429 19.319 2.725 1.00 0.00 WT1 H ATOM 4671 H2 TIP3 531 -16.224 -2.334 -0.104 1.00 0.00 WT1 H ATOM 4672 OH2 TIP3 532 7.392 -2.840 -1.887 1.00 0.00 WT1 O ATOM 4673 H1 TIP3 532 -26.107 2.250 9.091 1.00 0.00 WT1 H ATOM 4674 H2 TIP3 532 2.730 -16.407 -5.904 1.00 0.00 WT1 H ATOM 4675 OH2 TIP3 533 2.733 -5.411 4.055 1.00 0.00 WT1 O ATOM 4676 H1 TIP3 533 -3.926 -2.502 -0.879 1.00 0.00 WT1 H ATOM 4677 H2 TIP3 533 -15.718 14.125 -9.590 1.00 0.00 WT1 H ATOM 4678 OH2 TIP3 534 -2.748 -2.869 -0.554 1.00 0.00 WT1 O ATOM 4679 H1 TIP3 534 19.345 1.613 6.143 1.00 0.00 WT1 H ATOM 4680 H2 TIP3 534 6.237 4.055 -2.364 1.00 0.00 WT1 H ATOM 4681 OH2 TIP3 535 4.614 3.857 -1.164 1.00 0.00 WT1 O ATOM 4682 H1 TIP3 535 9.102 33.255 4.920 1.00 0.00 WT1 H ATOM 4683 H2 TIP3 535 1.427 -3.178 -20.196 1.00 0.00 WT1 H ATOM 4684 OH2 TIP3 536 -0.347 -0.536 -1.085 1.00 0.00 WT1 O ATOM 4685 H1 TIP3 536 -3.362 -2.462 -2.781 1.00 0.00 WT1 H ATOM 4686 H2 TIP3 536 9.114 4.956 -2.798 1.00 0.00 WT1 H ATOM 4687 OH2 TIP3 537 1.150 2.335 0.668 1.00 0.00 WT1 O ATOM 4688 H1 TIP3 537 2.306 2.696 -1.294 1.00 0.00 WT1 H ATOM 4689 H2 TIP3 537 0.827 -1.164 3.514 1.00 0.00 WT1 H ATOM 4690 OH2 TIP3 538 -6.365 0.830 -3.765 1.00 0.00 WT1 O ATOM 4691 H1 TIP3 538 2.791 -8.683 0.224 1.00 0.00 WT1 H ATOM 4692 H2 TIP3 538 -3.731 8.060 -1.908 1.00 0.00 WT1 H ATOM 4693 OH2 TIP3 539 4.948 -6.590 -0.547 1.00 0.00 WT1 O ATOM 4694 H1 TIP3 539 -4.143 -1.801 21.919 1.00 0.00 WT1 H ATOM 4695 H2 TIP3 539 20.507 -16.789 -24.765 1.00 0.00 WT1 H ATOM 4696 OH2 TIP3 540 -5.407 1.207 -1.141 1.00 0.00 WT1 O ATOM 4697 H1 TIP3 540 -2.821 -5.474 -12.040 1.00 0.00 WT1 H ATOM 4698 H2 TIP3 540 8.250 -2.463 -12.352 1.00 0.00 WT1 H ATOM 4699 OH2 TIP3 541 -6.744 -4.194 4.063 1.00 0.00 WT1 O ATOM 4700 H1 TIP3 541 0.587 5.114 3.930 1.00 0.00 WT1 H ATOM 4701 H2 TIP3 541 -9.870 -5.258 12.961 1.00 0.00 WT1 H ATOM 4702 OH2 TIP3 542 2.570 0.109 4.997 1.00 0.00 WT1 O ATOM 4703 H1 TIP3 542 7.838 3.489 12.376 1.00 0.00 WT1 H ATOM 4704 H2 TIP3 542 -2.678 -10.225 11.263 1.00 0.00 WT1 H ATOM 4705 OH2 TIP3 543 -0.089 -0.054 -2.260 1.00 0.00 WT1 O ATOM 4706 H1 TIP3 543 -9.516 -0.003 -4.395 1.00 0.00 WT1 H ATOM 4707 H2 TIP3 543 -9.339 4.506 -10.275 1.00 0.00 WT1 H ATOM 4708 OH2 TIP3 544 -1.717 -4.197 -3.995 1.00 0.00 WT1 O ATOM 4709 H1 TIP3 544 -12.098 -1.344 -4.922 1.00 0.00 WT1 H ATOM 4710 H2 TIP3 544 12.327 -13.371 1.766 1.00 0.00 WT1 H ATOM 4711 OH2 TIP3 546 0.884 2.864 2.611 1.00 0.00 WT1 O ATOM 4712 H1 TIP3 546 -13.015 -11.145 20.600 1.00 0.00 WT1 H ATOM 4713 H2 TIP3 546 -11.049 11.455 -9.342 1.00 0.00 WT1 H ATOM 4714 OH2 TIP3 547 7.248 4.047 -2.197 1.00 0.00 WT1 O ATOM 4715 H1 TIP3 547 15.600 2.970 5.298 1.00 0.00 WT1 H ATOM 4716 H2 TIP3 547 1.489 -10.518 1.201 1.00 0.00 WT1 H ATOM 4717 OH2 TIP3 549 -5.575 -0.440 -1.682 1.00 0.00 WT1 O ATOM 4718 H1 TIP3 549 -36.081 -4.044 7.984 1.00 0.00 WT1 H ATOM 4719 H2 TIP3 549 -2.627 -0.204 15.641 1.00 0.00 WT1 H ATOM 4720 OH2 TIP3 550 0.638 2.942 -0.462 1.00 0.00 WT1 O ATOM 4721 H1 TIP3 550 18.969 1.827 -20.133 1.00 0.00 WT1 H ATOM 4722 H2 TIP3 550 -10.307 -17.329 -3.392 1.00 0.00 WT1 H ATOM 4723 OH2 TIP3 551 0.896 -1.288 -0.168 1.00 0.00 WT1 O ATOM 4724 H1 TIP3 551 0.765 -4.262 -2.969 1.00 0.00 WT1 H ATOM 4725 H2 TIP3 551 -16.419 -4.984 12.307 1.00 0.00 WT1 H ATOM 4726 OH2 TIP3 552 0.429 0.601 3.169 1.00 0.00 WT1 O ATOM 4727 H1 TIP3 552 2.690 1.268 6.073 1.00 0.00 WT1 H ATOM 4728 H2 TIP3 552 0.281 4.549 3.481 1.00 0.00 WT1 H ATOM 4729 OH2 TIP3 553 2.358 4.548 -1.651 1.00 0.00 WT1 O ATOM 4730 H1 TIP3 553 -19.255 -5.144 -5.907 1.00 0.00 WT1 H ATOM 4731 H2 TIP3 553 -1.386 -2.228 1.547 1.00 0.00 WT1 H ATOM 4732 OH2 TIP3 554 -3.012 5.906 -2.422 1.00 0.00 WT1 O ATOM 4733 H1 TIP3 554 -2.554 2.988 0.696 1.00 0.00 WT1 H ATOM 4734 H2 TIP3 554 -5.406 5.667 -0.551 1.00 0.00 WT1 H ATOM 4735 OH2 TIP3 555 1.312 -0.612 0.077 1.00 0.00 WT1 O ATOM 4736 H1 TIP3 555 -2.924 1.472 -2.245 1.00 0.00 WT1 H ATOM 4737 H2 TIP3 555 10.535 0.520 3.122 1.00 0.00 WT1 H ATOM 4738 OH2 TIP3 556 7.508 5.470 2.036 1.00 0.00 WT1 O ATOM 4739 H1 TIP3 556 19.551 -4.064 -2.728 1.00 0.00 WT1 H ATOM 4740 H2 TIP3 556 4.013 3.777 -12.222 1.00 0.00 WT1 H ATOM 4741 OH2 TIP3 557 2.252 -0.470 -0.939 1.00 0.00 WT1 O ATOM 4742 H1 TIP3 557 -2.983 8.284 1.167 1.00 0.00 WT1 H ATOM 4743 H2 TIP3 557 0.496 -15.777 2.198 1.00 0.00 WT1 H ATOM 4744 OH2 TIP3 558 1.959 3.971 -1.826 1.00 0.00 WT1 O ATOM 4745 H1 TIP3 558 2.422 6.926 5.648 1.00 0.00 WT1 H ATOM 4746 H2 TIP3 558 -0.398 2.587 -11.383 1.00 0.00 WT1 H ATOM 4747 OH2 TIP3 559 0.353 3.169 1.813 1.00 0.00 WT1 O ATOM 4748 H1 TIP3 559 2.271 -1.228 -3.948 1.00 0.00 WT1 H ATOM 4749 H2 TIP3 559 6.205 14.027 1.636 1.00 0.00 WT1 H ATOM 4750 OH2 TIP3 560 -0.824 -1.811 -2.178 1.00 0.00 WT1 O ATOM 4751 H1 TIP3 560 -13.446 -11.227 -6.376 1.00 0.00 WT1 H ATOM 4752 H2 TIP3 560 -0.769 -5.893 1.364 1.00 0.00 WT1 H ATOM 4753 OH2 TIP3 561 2.334 1.005 4.794 1.00 0.00 WT1 O ATOM 4754 H1 TIP3 561 -8.157 3.270 10.958 1.00 0.00 WT1 H ATOM 4755 H2 TIP3 561 -0.609 4.437 1.857 1.00 0.00 WT1 H ATOM 4756 OH2 TIP3 562 -0.626 -0.351 -6.708 1.00 0.00 WT1 O ATOM 4757 H1 TIP3 562 -15.137 9.340 8.764 1.00 0.00 WT1 H ATOM 4758 H2 TIP3 562 -9.740 -23.244 -5.646 1.00 0.00 WT1 H ATOM 4759 OH2 TIP3 563 0.945 7.338 -4.261 1.00 0.00 WT1 O ATOM 4760 H1 TIP3 563 -2.310 8.564 -1.443 1.00 0.00 WT1 H ATOM 4761 H2 TIP3 563 2.486 12.324 -7.190 1.00 0.00 WT1 H ATOM 4762 OH2 TIP3 564 -1.780 1.381 4.616 1.00 0.00 WT1 O ATOM 4763 H1 TIP3 564 -4.237 -3.366 12.187 1.00 0.00 WT1 H ATOM 4764 H2 TIP3 564 8.089 15.323 -18.606 1.00 0.00 WT1 H ATOM 4765 OH2 TIP3 565 0.673 -3.726 -0.745 1.00 0.00 WT1 O ATOM 4766 H1 TIP3 565 9.772 -18.084 -11.681 1.00 0.00 WT1 H ATOM 4767 H2 TIP3 565 6.488 3.036 -5.152 1.00 0.00 WT1 H ATOM 4768 OH2 TIP3 567 -3.244 -2.703 6.443 1.00 0.00 WT1 O ATOM 4769 H1 TIP3 567 -17.604 -3.783 15.788 1.00 0.00 WT1 H ATOM 4770 H2 TIP3 567 -12.903 -4.233 13.558 1.00 0.00 WT1 H ATOM 4771 OH2 TIP3 568 1.959 -0.353 0.511 1.00 0.00 WT1 O ATOM 4772 H1 TIP3 568 1.553 9.086 1.311 1.00 0.00 WT1 H ATOM 4773 H2 TIP3 568 2.224 9.774 2.684 1.00 0.00 WT1 H ATOM 4774 OH2 TIP3 569 2.683 3.209 0.523 1.00 0.00 WT1 O ATOM 4775 H1 TIP3 569 -7.769 10.645 5.162 1.00 0.00 WT1 H ATOM 4776 H2 TIP3 569 18.599 -1.312 0.722 1.00 0.00 WT1 H ATOM 4777 OH2 TIP3 570 1.175 -8.689 -0.845 1.00 0.00 WT1 O ATOM 4778 H1 TIP3 570 10.110 -24.117 -34.530 1.00 0.00 WT1 H ATOM 4779 H2 TIP3 570 -0.361 -2.225 11.837 1.00 0.00 WT1 H ATOM 4780 OH2 TIP3 571 -2.365 3.020 -1.213 1.00 0.00 WT1 O ATOM 4781 H1 TIP3 571 7.893 5.994 4.644 1.00 0.00 WT1 H ATOM 4782 H2 TIP3 571 7.701 6.644 -9.037 1.00 0.00 WT1 H ATOM 4783 OH2 TIP3 572 3.459 2.062 1.016 1.00 0.00 WT1 O ATOM 4784 H1 TIP3 572 5.183 0.551 4.453 1.00 0.00 WT1 H ATOM 4785 H2 TIP3 572 7.607 -1.503 10.984 1.00 0.00 WT1 H ATOM 4786 OH2 TIP3 573 0.070 2.089 -1.455 1.00 0.00 WT1 O ATOM 4787 H1 TIP3 573 -1.834 7.668 -4.347 1.00 0.00 WT1 H ATOM 4788 H2 TIP3 573 -2.479 2.786 5.836 1.00 0.00 WT1 H ATOM 4789 OH2 TIP3 574 6.174 -0.691 0.610 1.00 0.00 WT1 O ATOM 4790 H1 TIP3 574 15.810 -14.071 11.263 1.00 0.00 WT1 H ATOM 4791 H2 TIP3 574 4.144 -7.566 -12.568 1.00 0.00 WT1 H ATOM 4792 OH2 TIP3 575 5.313 1.489 11.832 1.00 0.00 WT1 O ATOM 4793 H1 TIP3 575 22.708 18.929 -7.900 1.00 0.00 WT1 H ATOM 4794 H2 TIP3 575 24.985 7.872 0.725 1.00 0.00 WT1 H ATOM 4795 OH2 TIP3 576 -1.459 2.149 -4.780 1.00 0.00 WT1 O ATOM 4796 H1 TIP3 576 -1.325 1.036 0.494 1.00 0.00 WT1 H ATOM 4797 H2 TIP3 576 -0.469 6.371 18.790 1.00 0.00 WT1 H ATOM 4798 OH2 TIP3 577 -1.925 5.179 -3.559 1.00 0.00 WT1 O ATOM 4799 H1 TIP3 577 -9.787 -0.898 13.208 1.00 0.00 WT1 H ATOM 4800 H2 TIP3 577 -2.512 -2.121 1.572 1.00 0.00 WT1 H ATOM 4801 OH2 TIP3 578 -0.416 4.188 -7.006 1.00 0.00 WT1 O ATOM 4802 H1 TIP3 578 1.837 12.748 6.038 1.00 0.00 WT1 H ATOM 4803 H2 TIP3 578 -4.797 8.591 -8.015 1.00 0.00 WT1 H ATOM 4804 OH2 TIP3 579 -5.769 -0.948 -2.111 1.00 0.00 WT1 O ATOM 4805 H1 TIP3 579 -7.159 -2.494 -8.108 1.00 0.00 WT1 H ATOM 4806 H2 TIP3 579 -2.954 -6.138 -4.659 1.00 0.00 WT1 H ATOM 4807 OH2 TIP3 580 1.414 0.842 -4.464 1.00 0.00 WT1 O ATOM 4808 H1 TIP3 580 3.629 -1.616 -19.824 1.00 0.00 WT1 H ATOM 4809 H2 TIP3 580 8.483 -12.071 2.798 1.00 0.00 WT1 H ATOM 4810 OH2 TIP3 581 -2.453 7.203 -5.755 1.00 0.00 WT1 O ATOM 4811 H1 TIP3 581 10.708 7.889 -7.875 1.00 0.00 WT1 H ATOM 4812 H2 TIP3 581 -3.951 18.344 19.767 1.00 0.00 WT1 H ATOM 4813 OH2 TIP3 582 2.654 2.434 4.716 1.00 0.00 WT1 O ATOM 4814 H1 TIP3 582 16.962 28.992 -3.538 1.00 0.00 WT1 H ATOM 4815 H2 TIP3 582 -13.712 -4.036 -14.268 1.00 0.00 WT1 H ATOM 4816 OH2 TIP3 583 0.357 1.504 -4.218 1.00 0.00 WT1 O ATOM 4817 H1 TIP3 583 1.320 4.052 -4.012 1.00 0.00 WT1 H ATOM 4818 H2 TIP3 583 -2.258 3.169 -4.458 1.00 0.00 WT1 H ATOM 4819 OH2 TIP3 584 -5.951 1.502 -1.817 1.00 0.00 WT1 O ATOM 4820 H1 TIP3 584 8.506 -21.488 -3.895 1.00 0.00 WT1 H ATOM 4821 H2 TIP3 584 -12.424 0.809 13.406 1.00 0.00 WT1 H ATOM 4822 OH2 TIP3 585 2.887 -5.910 -1.079 1.00 0.00 WT1 O ATOM 4823 H1 TIP3 585 -8.514 4.865 0.459 1.00 0.00 WT1 H ATOM 4824 H2 TIP3 585 6.660 11.176 -10.786 1.00 0.00 WT1 H ATOM 4825 OH2 TIP3 586 1.424 0.164 -4.559 1.00 0.00 WT1 O ATOM 4826 H1 TIP3 586 -12.543 -2.608 16.344 1.00 0.00 WT1 H ATOM 4827 H2 TIP3 586 -1.617 -3.072 2.268 1.00 0.00 WT1 H ATOM 4828 OH2 TIP3 587 1.122 1.681 -1.666 1.00 0.00 WT1 O ATOM 4829 H1 TIP3 587 5.016 10.405 -4.454 1.00 0.00 WT1 H ATOM 4830 H2 TIP3 587 -11.614 3.434 -5.360 1.00 0.00 WT1 H ATOM 4831 OH2 TIP3 588 1.891 -2.944 -2.630 1.00 0.00 WT1 O ATOM 4832 H1 TIP3 588 -1.544 -6.475 -1.805 1.00 0.00 WT1 H ATOM 4833 H2 TIP3 588 17.837 -16.290 0.337 1.00 0.00 WT1 H ATOM 4834 OH2 TIP3 589 6.075 1.891 -2.790 1.00 0.00 WT1 O ATOM 4835 H1 TIP3 589 -2.216 -0.186 -18.483 1.00 0.00 WT1 H ATOM 4836 H2 TIP3 589 6.755 33.372 3.398 1.00 0.00 WT1 H ATOM 4837 OH2 TIP3 590 -0.135 -7.701 -2.845 1.00 0.00 WT1 O ATOM 4838 H1 TIP3 590 -0.172 -11.776 6.880 1.00 0.00 WT1 H ATOM 4839 H2 TIP3 590 3.095 -8.829 5.546 1.00 0.00 WT1 H ATOM 4840 OH2 TIP3 591 -2.348 -0.941 0.210 1.00 0.00 WT1 O ATOM 4841 H1 TIP3 591 11.893 3.371 -15.081 1.00 0.00 WT1 H ATOM 4842 H2 TIP3 591 9.084 0.386 -3.120 1.00 0.00 WT1 H ATOM 4843 OH2 TIP3 592 -5.450 1.246 -4.781 1.00 0.00 WT1 O ATOM 4844 H1 TIP3 592 -1.884 2.286 -6.270 1.00 0.00 WT1 H ATOM 4845 H2 TIP3 592 -20.616 -29.348 14.105 1.00 0.00 WT1 H ATOM 4846 OH2 TIP3 593 0.022 0.731 1.257 1.00 0.00 WT1 O ATOM 4847 H1 TIP3 593 1.844 9.558 -15.757 1.00 0.00 WT1 H ATOM 4848 H2 TIP3 593 0.528 -19.969 -4.633 1.00 0.00 WT1 H ATOM 4849 OH2 TIP3 594 2.960 2.727 -2.079 1.00 0.00 WT1 O ATOM 4850 H1 TIP3 594 -12.386 19.738 -4.287 1.00 0.00 WT1 H ATOM 4851 H2 TIP3 594 1.320 -18.399 -17.899 1.00 0.00 WT1 H ATOM 4852 OH2 TIP3 595 -8.240 -1.789 5.304 1.00 0.00 WT1 O ATOM 4853 H1 TIP3 595 -0.774 -3.406 -1.689 1.00 0.00 WT1 H ATOM 4854 H2 TIP3 595 -3.634 -6.257 7.123 1.00 0.00 WT1 H ATOM 4855 OH2 TIP3 596 0.164 6.462 -2.745 1.00 0.00 WT1 O ATOM 4856 H1 TIP3 596 1.322 3.860 8.369 1.00 0.00 WT1 H ATOM 4857 H2 TIP3 596 -2.393 -10.226 3.203 1.00 0.00 WT1 H ATOM 4858 OH2 TIP3 597 6.915 -0.876 1.182 1.00 0.00 WT1 O ATOM 4859 H1 TIP3 597 -2.741 14.148 -13.287 1.00 0.00 WT1 H ATOM 4860 H2 TIP3 597 -14.729 -1.936 -8.635 1.00 0.00 WT1 H ATOM 4861 OH2 TIP3 598 1.311 -0.662 -0.791 1.00 0.00 WT1 O ATOM 4862 H1 TIP3 598 -13.031 11.744 7.541 1.00 0.00 WT1 H ATOM 4863 H2 TIP3 598 7.129 16.804 3.072 1.00 0.00 WT1 H ATOM 4864 OH2 TIP3 599 -0.293 0.170 5.984 1.00 0.00 WT1 O ATOM 4865 H1 TIP3 599 -3.202 2.833 1.499 1.00 0.00 WT1 H ATOM 4866 H2 TIP3 599 7.579 -1.148 7.276 1.00 0.00 WT1 H ATOM 4867 OH2 TIP3 600 3.210 -4.452 1.590 1.00 0.00 WT1 O ATOM 4868 H1 TIP3 600 6.552 -5.036 -0.557 1.00 0.00 WT1 H ATOM 4869 H2 TIP3 600 2.824 1.765 -6.761 1.00 0.00 WT1 H ATOM 4870 OH2 TIP3 602 -2.463 2.808 -5.421 1.00 0.00 WT1 O ATOM 4871 H1 TIP3 602 -27.013 -14.005 -6.581 1.00 0.00 WT1 H ATOM 4872 H2 TIP3 602 10.760 -5.684 18.998 1.00 0.00 WT1 H ATOM 4873 OH2 TIP3 603 -4.247 2.135 -4.175 1.00 0.00 WT1 O ATOM 4874 H1 TIP3 603 33.716 19.447 7.302 1.00 0.00 WT1 H ATOM 4875 H2 TIP3 603 -15.381 3.214 -2.016 1.00 0.00 WT1 H ATOM 4876 OH2 TIP3 604 -0.316 2.545 1.195 1.00 0.00 WT1 O ATOM 4877 H1 TIP3 604 -6.842 -13.859 2.345 1.00 0.00 WT1 H ATOM 4878 H2 TIP3 604 4.223 -23.347 3.165 1.00 0.00 WT1 H ATOM 4879 OH2 TIP3 605 -1.038 1.609 0.053 1.00 0.00 WT1 O ATOM 4880 H1 TIP3 605 0.653 -1.556 1.675 1.00 0.00 WT1 H ATOM 4881 H2 TIP3 605 1.605 13.406 5.558 1.00 0.00 WT1 H ATOM 4882 OH2 TIP3 606 8.297 -2.326 1.503 1.00 0.00 WT1 O ATOM 4883 H1 TIP3 606 9.711 -10.029 -5.686 1.00 0.00 WT1 H ATOM 4884 H2 TIP3 606 10.233 -13.158 -19.282 1.00 0.00 WT1 H ATOM 4885 OH2 TIP3 607 -1.622 3.846 8.967 1.00 0.00 WT1 O ATOM 4886 H1 TIP3 607 3.058 -2.133 4.089 1.00 0.00 WT1 H ATOM 4887 H2 TIP3 607 4.840 9.864 5.951 1.00 0.00 WT1 H ATOM 4888 OH2 TIP3 608 -2.797 -4.466 -4.137 1.00 0.00 WT1 O ATOM 4889 H1 TIP3 608 -5.198 -9.337 1.254 1.00 0.00 WT1 H ATOM 4890 H2 TIP3 608 12.697 15.346 -15.382 1.00 0.00 WT1 H ATOM 4891 OH2 TIP3 609 1.865 4.512 2.164 1.00 0.00 WT1 O ATOM 4892 H1 TIP3 609 -9.118 -7.181 11.313 1.00 0.00 WT1 H ATOM 4893 H2 TIP3 609 -4.560 13.951 3.420 1.00 0.00 WT1 H ATOM 4894 OH2 TIP3 610 -0.467 -2.584 4.327 1.00 0.00 WT1 O ATOM 4895 H1 TIP3 610 -3.500 -11.085 -17.301 1.00 0.00 WT1 H ATOM 4896 H2 TIP3 610 -6.434 -14.792 -14.991 1.00 0.00 WT1 H ATOM 4897 OH2 TIP3 611 1.119 -2.005 -3.028 1.00 0.00 WT1 O ATOM 4898 H1 TIP3 611 25.542 -6.475 -9.633 1.00 0.00 WT1 H ATOM 4899 H2 TIP3 611 28.123 -40.256 2.563 1.00 0.00 WT1 H ATOM 4900 OH2 TIP3 612 -3.343 0.529 0.943 1.00 0.00 WT1 O ATOM 4901 H1 TIP3 612 -11.583 -6.340 2.928 1.00 0.00 WT1 H ATOM 4902 H2 TIP3 612 -11.077 13.636 13.665 1.00 0.00 WT1 H ATOM 4903 OH2 TIP3 613 -4.757 5.204 -0.937 1.00 0.00 WT1 O ATOM 4904 H1 TIP3 613 22.826 8.145 16.748 1.00 0.00 WT1 H ATOM 4905 H2 TIP3 613 -8.149 -8.847 -4.612 1.00 0.00 WT1 H ATOM 4906 OH2 TIP3 614 -0.521 8.346 1.168 1.00 0.00 WT1 O ATOM 4907 H1 TIP3 614 13.419 -5.853 14.345 1.00 0.00 WT1 H ATOM 4908 H2 TIP3 614 -11.586 -1.324 3.341 1.00 0.00 WT1 H ATOM 4909 OH2 TIP3 615 1.931 7.649 -5.507 1.00 0.00 WT1 O ATOM 4910 H1 TIP3 615 -17.146 -2.387 4.123 1.00 0.00 WT1 H ATOM 4911 H2 TIP3 615 2.663 -17.601 28.425 1.00 0.00 WT1 H ATOM 4912 OH2 TIP3 616 6.162 -3.507 3.130 1.00 0.00 WT1 O ATOM 4913 H1 TIP3 616 6.702 -1.719 -2.735 1.00 0.00 WT1 H ATOM 4914 H2 TIP3 616 15.811 -7.555 29.073 1.00 0.00 WT1 H ATOM 4915 OH2 TIP3 617 4.735 -1.861 0.874 1.00 0.00 WT1 O ATOM 4916 H1 TIP3 617 -0.498 -3.475 3.901 1.00 0.00 WT1 H ATOM 4917 H2 TIP3 617 5.071 2.465 2.055 1.00 0.00 WT1 H ATOM 4918 OH2 TIP3 618 -3.843 1.921 2.173 1.00 0.00 WT1 O ATOM 4919 H1 TIP3 618 -0.964 8.622 12.140 1.00 0.00 WT1 H ATOM 4920 H2 TIP3 618 -2.719 2.329 -5.737 1.00 0.00 WT1 H ATOM 4921 OH2 TIP3 619 5.290 1.715 -6.932 1.00 0.00 WT1 O ATOM 4922 H1 TIP3 619 1.905 -18.761 -1.017 1.00 0.00 WT1 H ATOM 4923 H2 TIP3 619 0.574 -3.592 8.553 1.00 0.00 WT1 H ATOM 4924 OH2 TIP3 620 -1.611 0.121 4.164 1.00 0.00 WT1 O ATOM 4925 H1 TIP3 620 9.147 6.515 -2.465 1.00 0.00 WT1 H ATOM 4926 H2 TIP3 620 -3.062 -3.235 -14.114 1.00 0.00 WT1 H ATOM 4927 OH2 TIP3 621 -4.826 2.217 1.244 1.00 0.00 WT1 O ATOM 4928 H1 TIP3 621 -4.150 -0.575 0.654 1.00 0.00 WT1 H ATOM 4929 H2 TIP3 621 -0.469 7.683 7.290 1.00 0.00 WT1 H ATOM 4930 OH2 TIP3 622 -2.580 -2.319 -5.422 1.00 0.00 WT1 O ATOM 4931 H1 TIP3 622 -5.822 -11.340 -10.817 1.00 0.00 WT1 H ATOM 4932 H2 TIP3 622 -8.086 -7.443 4.652 1.00 0.00 WT1 H ATOM 4933 OH2 TIP3 623 1.161 -2.419 2.183 1.00 0.00 WT1 O ATOM 4934 H1 TIP3 623 -11.238 -13.378 1.378 1.00 0.00 WT1 H ATOM 4935 H2 TIP3 623 27.893 8.758 1.272 1.00 0.00 WT1 H ATOM 4936 OH2 TIP3 624 5.444 -3.541 -3.606 1.00 0.00 WT1 O ATOM 4937 H1 TIP3 624 5.871 -3.347 -3.321 1.00 0.00 WT1 H ATOM 4938 H2 TIP3 624 6.460 -4.228 -3.995 1.00 0.00 WT1 H ATOM 4939 OH2 TIP3 625 -3.101 -3.381 1.587 1.00 0.00 WT1 O ATOM 4940 H1 TIP3 625 -4.965 -0.383 -7.919 1.00 0.00 WT1 H ATOM 4941 H2 TIP3 625 -10.584 -10.612 -4.071 1.00 0.00 WT1 H ATOM 4942 OH2 TIP3 626 8.896 -3.661 -2.237 1.00 0.00 WT1 O ATOM 4943 H1 TIP3 626 0.975 -2.805 -4.427 1.00 0.00 WT1 H ATOM 4944 H2 TIP3 626 25.742 2.513 -3.906 1.00 0.00 WT1 H ATOM 4945 OH2 TIP3 627 5.891 4.226 -5.106 1.00 0.00 WT1 O ATOM 4946 H1 TIP3 627 13.782 1.998 7.939 1.00 0.00 WT1 H ATOM 4947 H2 TIP3 627 -6.862 8.175 4.367 1.00 0.00 WT1 H ATOM 4948 OH2 TIP3 628 3.352 1.182 -0.285 1.00 0.00 WT1 O ATOM 4949 H1 TIP3 628 14.629 17.129 23.966 1.00 0.00 WT1 H ATOM 4950 H2 TIP3 628 -13.989 21.999 -5.810 1.00 0.00 WT1 H ATOM 4951 OH2 TIP3 629 -4.468 -5.080 -2.576 1.00 0.00 WT1 O ATOM 4952 H1 TIP3 629 17.403 -11.620 -9.897 1.00 0.00 WT1 H ATOM 4953 H2 TIP3 629 0.961 2.708 3.274 1.00 0.00 WT1 H ATOM 4954 OH2 TIP3 630 -4.146 -4.249 -4.215 1.00 0.00 WT1 O ATOM 4955 H1 TIP3 630 0.182 10.142 -1.264 1.00 0.00 WT1 H ATOM 4956 H2 TIP3 630 -11.654 -9.556 7.102 1.00 0.00 WT1 H ATOM 4957 OH2 TIP3 631 -6.315 -2.405 4.330 1.00 0.00 WT1 O ATOM 4958 H1 TIP3 631 -0.766 18.266 -9.733 1.00 0.00 WT1 H ATOM 4959 H2 TIP3 631 9.591 -6.118 0.247 1.00 0.00 WT1 H ATOM 4960 OH2 TIP3 632 3.215 -2.244 -7.586 1.00 0.00 WT1 O ATOM 4961 H1 TIP3 632 29.007 17.436 -24.725 1.00 0.00 WT1 H ATOM 4962 H2 TIP3 632 -3.358 -19.752 2.503 1.00 0.00 WT1 H ATOM 4963 OH2 TIP3 633 -2.953 -6.561 -3.068 1.00 0.00 WT1 O ATOM 4964 H1 TIP3 633 5.962 -17.489 10.322 1.00 0.00 WT1 H ATOM 4965 H2 TIP3 633 0.349 -32.141 20.412 1.00 0.00 WT1 H ATOM 4966 OH2 TIP3 634 1.347 1.435 1.298 1.00 0.00 WT1 O ATOM 4967 H1 TIP3 634 -13.667 -3.876 -12.184 1.00 0.00 WT1 H ATOM 4968 H2 TIP3 634 23.097 -7.964 12.848 1.00 0.00 WT1 H ATOM 4969 OH2 TIP3 635 -1.708 4.038 -6.595 1.00 0.00 WT1 O ATOM 4970 H1 TIP3 635 30.736 -14.123 -1.507 1.00 0.00 WT1 H ATOM 4971 H2 TIP3 635 -34.379 17.125 -3.468 1.00 0.00 WT1 H ATOM 4972 OH2 TIP3 636 -0.305 2.290 4.304 1.00 0.00 WT1 O ATOM 4973 H1 TIP3 636 -15.326 14.941 9.496 1.00 0.00 WT1 H ATOM 4974 H2 TIP3 636 22.004 15.540 25.063 1.00 0.00 WT1 H ATOM 4975 OH2 TIP3 637 -0.056 -1.649 -8.913 1.00 0.00 WT1 O ATOM 4976 H1 TIP3 637 -10.911 4.760 11.381 1.00 0.00 WT1 H ATOM 4977 H2 TIP3 637 -12.187 5.408 -8.306 1.00 0.00 WT1 H ATOM 4978 OH2 TIP3 638 -1.147 -3.632 -0.946 1.00 0.00 WT1 O ATOM 4979 H1 TIP3 638 17.352 12.985 13.312 1.00 0.00 WT1 H ATOM 4980 H2 TIP3 638 -12.023 -11.694 3.034 1.00 0.00 WT1 H ATOM 4981 OH2 TIP3 639 4.553 3.070 -0.767 1.00 0.00 WT1 O ATOM 4982 H1 TIP3 639 -2.017 -2.091 2.650 1.00 0.00 WT1 H ATOM 4983 H2 TIP3 639 7.084 8.832 5.364 1.00 0.00 WT1 H ATOM 4984 OH2 TIP3 640 0.861 -3.868 -0.075 1.00 0.00 WT1 O ATOM 4985 H1 TIP3 640 5.764 -6.597 1.677 1.00 0.00 WT1 H ATOM 4986 H2 TIP3 640 18.523 10.335 10.582 1.00 0.00 WT1 H ATOM 4987 OH2 TIP3 641 -1.491 -1.036 1.817 1.00 0.00 WT1 O ATOM 4988 H1 TIP3 641 0.626 4.425 1.776 1.00 0.00 WT1 H ATOM 4989 H2 TIP3 641 0.615 5.395 -2.530 1.00 0.00 WT1 H ATOM 4990 OH2 TIP3 642 2.111 -6.326 -2.977 1.00 0.00 WT1 O ATOM 4991 H1 TIP3 642 -16.490 -3.039 3.721 1.00 0.00 WT1 H ATOM 4992 H2 TIP3 642 -17.078 -9.417 1.305 1.00 0.00 WT1 H ATOM 4993 OH2 TIP3 643 1.730 3.240 1.320 1.00 0.00 WT1 O ATOM 4994 H1 TIP3 643 -7.138 -3.981 3.731 1.00 0.00 WT1 H ATOM 4995 H2 TIP3 643 -7.535 -12.079 0.078 1.00 0.00 WT1 H ATOM 4996 OH2 TIP3 644 -0.618 1.076 0.095 1.00 0.00 WT1 O ATOM 4997 H1 TIP3 644 1.434 5.847 -8.084 1.00 0.00 WT1 H ATOM 4998 H2 TIP3 644 8.906 3.553 1.333 1.00 0.00 WT1 H ATOM 4999 OH2 TIP3 645 0.445 0.139 0.103 1.00 0.00 WT1 O ATOM 5000 H1 TIP3 645 3.224 4.453 8.358 1.00 0.00 WT1 H ATOM 5001 H2 TIP3 645 -3.951 -6.700 4.274 1.00 0.00 WT1 H ATOM 5002 OH2 TIP3 646 3.927 -1.954 3.209 1.00 0.00 WT1 O ATOM 5003 H1 TIP3 646 -10.131 27.957 -19.562 1.00 0.00 WT1 H ATOM 5004 H2 TIP3 646 35.111 4.610 -18.077 1.00 0.00 WT1 H ATOM 5005 OH2 TIP3 647 -3.227 -6.344 2.846 1.00 0.00 WT1 O ATOM 5006 H1 TIP3 647 -12.948 4.463 8.520 1.00 0.00 WT1 H ATOM 5007 H2 TIP3 647 8.879 4.937 -3.860 1.00 0.00 WT1 H ATOM 5008 OH2 TIP3 648 0.272 -7.769 -2.659 1.00 0.00 WT1 O ATOM 5009 H1 TIP3 648 1.598 1.059 -8.899 1.00 0.00 WT1 H ATOM 5010 H2 TIP3 648 0.920 -29.463 14.963 1.00 0.00 WT1 H ATOM 5011 OH2 TIP3 649 -5.907 0.400 -3.942 1.00 0.00 WT1 O ATOM 5012 H1 TIP3 649 -15.488 10.174 -7.303 1.00 0.00 WT1 H ATOM 5013 H2 TIP3 649 0.778 15.009 -2.752 1.00 0.00 WT1 H ATOM 5014 OH2 TIP3 650 -2.226 -5.635 -4.040 1.00 0.00 WT1 O ATOM 5015 H1 TIP3 650 -6.064 18.750 -9.431 1.00 0.00 WT1 H ATOM 5016 H2 TIP3 650 5.749 -38.384 12.160 1.00 0.00 WT1 H ATOM 5017 OH2 TIP3 651 -1.757 -3.162 -1.749 1.00 0.00 WT1 O ATOM 5018 H1 TIP3 651 3.294 -14.760 1.413 1.00 0.00 WT1 H ATOM 5019 H2 TIP3 651 -15.237 -17.891 12.910 1.00 0.00 WT1 H ATOM 5020 OH2 TIP3 652 0.644 5.509 2.687 1.00 0.00 WT1 O ATOM 5021 H1 TIP3 652 2.984 2.902 0.186 1.00 0.00 WT1 H ATOM 5022 H2 TIP3 652 -1.022 6.435 6.195 1.00 0.00 WT1 H ATOM 5023 OH2 TIP3 653 0.000 -1.276 -4.426 1.00 0.00 WT1 O ATOM 5024 H1 TIP3 653 -0.184 10.721 2.328 1.00 0.00 WT1 H ATOM 5025 H2 TIP3 653 -11.656 -6.834 -0.943 1.00 0.00 WT1 H ATOM 5026 OH2 TIP3 654 3.135 -0.600 5.266 1.00 0.00 WT1 O ATOM 5027 H1 TIP3 654 1.686 0.222 5.771 1.00 0.00 WT1 H ATOM 5028 H2 TIP3 654 8.637 -2.668 4.363 1.00 0.00 WT1 H ATOM 5029 OH2 TIP3 655 -0.898 -3.351 -0.729 1.00 0.00 WT1 O ATOM 5030 H1 TIP3 655 -12.634 -3.147 -2.667 1.00 0.00 WT1 H ATOM 5031 H2 TIP3 655 -33.053 -8.326 -25.978 1.00 0.00 WT1 H ATOM 5032 OH2 TIP3 656 -4.159 6.546 -6.444 1.00 0.00 WT1 O ATOM 5033 H1 TIP3 656 4.942 4.642 3.888 1.00 0.00 WT1 H ATOM 5034 H2 TIP3 656 -16.689 -0.538 -23.195 1.00 0.00 WT1 H ATOM 5035 OH2 TIP3 657 -0.726 -1.396 -1.175 1.00 0.00 WT1 O ATOM 5036 H1 TIP3 657 5.116 -0.449 -1.728 1.00 0.00 WT1 H ATOM 5037 H2 TIP3 657 3.149 -1.066 -0.915 1.00 0.00 WT1 H ATOM 5038 OH2 TIP3 658 -3.158 -0.801 -1.832 1.00 0.00 WT1 O ATOM 5039 H1 TIP3 658 25.023 11.998 -6.997 1.00 0.00 WT1 H ATOM 5040 H2 TIP3 658 -7.797 5.248 -4.444 1.00 0.00 WT1 H ATOM 5041 OH2 TIP3 659 -2.396 -3.145 -4.926 1.00 0.00 WT1 O ATOM 5042 H1 TIP3 659 7.820 3.673 -29.008 1.00 0.00 WT1 H ATOM 5043 H2 TIP3 659 -2.215 -11.862 -1.340 1.00 0.00 WT1 H ATOM 5044 OH2 TIP3 660 1.993 -7.887 4.009 1.00 0.00 WT1 O ATOM 5045 H1 TIP3 660 -2.591 6.968 11.145 1.00 0.00 WT1 H ATOM 5046 H2 TIP3 660 -14.032 -2.475 7.449 1.00 0.00 WT1 H ATOM 5047 OH2 TIP3 661 -2.664 11.436 -1.728 1.00 0.00 WT1 O ATOM 5048 H1 TIP3 661 -11.586 16.218 -20.168 1.00 0.00 WT1 H ATOM 5049 H2 TIP3 661 -2.754 18.216 -11.108 1.00 0.00 WT1 H ATOM 5050 OH2 TIP3 662 6.626 2.954 0.347 1.00 0.00 WT1 O ATOM 5051 H1 TIP3 662 12.062 11.669 -11.735 1.00 0.00 WT1 H ATOM 5052 H2 TIP3 662 31.831 43.460 3.038 1.00 0.00 WT1 H ATOM 5053 OH2 TIP3 663 3.404 2.556 5.169 1.00 0.00 WT1 O ATOM 5054 H1 TIP3 663 -11.546 -14.429 -3.915 1.00 0.00 WT1 H ATOM 5055 H2 TIP3 663 14.395 -3.054 0.565 1.00 0.00 WT1 H ATOM 5056 OH2 TIP3 664 -2.585 3.678 4.199 1.00 0.00 WT1 O ATOM 5057 H1 TIP3 664 13.804 -12.457 -3.095 1.00 0.00 WT1 H ATOM 5058 H2 TIP3 664 -11.813 33.104 15.609 1.00 0.00 WT1 H ATOM 5059 OH2 TIP3 665 0.433 0.070 0.276 1.00 0.00 WT1 O ATOM 5060 H1 TIP3 665 6.990 -8.580 7.220 1.00 0.00 WT1 H ATOM 5061 H2 TIP3 665 1.002 -3.383 -0.667 1.00 0.00 WT1 H ATOM 5062 OH2 TIP3 666 2.206 -1.719 -3.497 1.00 0.00 WT1 O ATOM 5063 H1 TIP3 666 0.874 -3.757 -4.275 1.00 0.00 WT1 H ATOM 5064 H2 TIP3 666 -0.428 3.219 -19.534 1.00 0.00 WT1 H ATOM 5065 OH2 TIP3 667 0.464 -0.568 -1.656 1.00 0.00 WT1 O ATOM 5066 H1 TIP3 667 13.294 4.857 -5.521 1.00 0.00 WT1 H ATOM 5067 H2 TIP3 667 -8.119 10.624 -2.025 1.00 0.00 WT1 H ATOM 5068 OH2 TIP3 668 3.042 -6.607 -1.964 1.00 0.00 WT1 O ATOM 5069 H1 TIP3 668 2.865 -22.598 -1.770 1.00 0.00 WT1 H ATOM 5070 H2 TIP3 668 -1.079 -16.389 -1.621 1.00 0.00 WT1 H ATOM 5071 OH2 TIP3 669 -1.562 0.796 -2.303 1.00 0.00 WT1 O ATOM 5072 H1 TIP3 669 6.857 -16.766 -3.530 1.00 0.00 WT1 H ATOM 5073 H2 TIP3 669 -0.337 8.165 18.695 1.00 0.00 WT1 H ATOM 5074 OH2 TIP3 670 0.104 -2.220 1.204 1.00 0.00 WT1 O ATOM 5075 H1 TIP3 670 -19.612 14.176 4.375 1.00 0.00 WT1 H ATOM 5076 H2 TIP3 670 17.977 6.196 11.431 1.00 0.00 WT1 H ATOM 5077 OH2 TIP3 671 5.734 7.850 -1.965 1.00 0.00 WT1 O ATOM 5078 H1 TIP3 671 6.405 10.902 1.777 1.00 0.00 WT1 H ATOM 5079 H2 TIP3 671 10.178 20.319 -9.735 1.00 0.00 WT1 H ATOM 5080 OH2 TIP3 672 -3.006 1.468 6.728 1.00 0.00 WT1 O ATOM 5081 H1 TIP3 672 -2.651 2.381 4.200 1.00 0.00 WT1 H ATOM 5082 H2 TIP3 672 -4.335 2.275 6.041 1.00 0.00 WT1 H ATOM 5083 OH2 TIP3 673 -1.954 1.517 2.995 1.00 0.00 WT1 O ATOM 5084 H1 TIP3 673 8.238 -9.099 10.848 1.00 0.00 WT1 H ATOM 5085 H2 TIP3 673 0.788 0.081 8.262 1.00 0.00 WT1 H ATOM 5086 OH2 TIP3 674 2.808 0.257 4.408 1.00 0.00 WT1 O ATOM 5087 H1 TIP3 674 -1.760 -0.823 0.789 1.00 0.00 WT1 H ATOM 5088 H2 TIP3 674 -1.322 3.185 9.772 1.00 0.00 WT1 H ATOM 5089 OH2 TIP3 675 -7.459 1.540 2.695 1.00 0.00 WT1 O ATOM 5090 H1 TIP3 675 8.441 9.034 -5.514 1.00 0.00 WT1 H ATOM 5091 H2 TIP3 675 13.350 -28.064 -15.650 1.00 0.00 WT1 H ATOM 5092 OH2 TIP3 676 -2.641 -2.851 1.119 1.00 0.00 WT1 O ATOM 5093 H1 TIP3 676 -4.216 10.259 -4.744 1.00 0.00 WT1 H ATOM 5094 H2 TIP3 676 -8.953 27.458 -0.020 1.00 0.00 WT1 H ATOM 5095 OH2 TIP3 677 -0.657 0.674 3.029 1.00 0.00 WT1 O ATOM 5096 H1 TIP3 677 4.998 -8.629 -1.746 1.00 0.00 WT1 H ATOM 5097 H2 TIP3 677 10.584 0.867 -5.420 1.00 0.00 WT1 H ATOM 5098 OH2 TIP3 679 -11.074 -3.409 1.586 1.00 0.00 WT1 O ATOM 5099 H1 TIP3 679 -36.882 -19.150 0.624 1.00 0.00 WT1 H ATOM 5100 H2 TIP3 679 -19.884 22.866 12.219 1.00 0.00 WT1 H ATOM 5101 OH2 TIP3 680 -3.181 -2.245 -1.363 1.00 0.00 WT1 O ATOM 5102 H1 TIP3 680 -0.278 -1.285 -18.264 1.00 0.00 WT1 H ATOM 5103 H2 TIP3 680 -5.871 -9.711 6.350 1.00 0.00 WT1 H ATOM 5104 OH2 TIP3 681 1.602 4.118 3.334 1.00 0.00 WT1 O ATOM 5105 H1 TIP3 681 5.153 -6.736 -14.067 1.00 0.00 WT1 H ATOM 5106 H2 TIP3 681 -10.765 3.364 13.258 1.00 0.00 WT1 H ATOM 5107 OH2 TIP3 682 -5.162 -1.519 -0.414 1.00 0.00 WT1 O ATOM 5108 H1 TIP3 682 -5.772 -8.621 -1.908 1.00 0.00 WT1 H ATOM 5109 H2 TIP3 682 -6.840 -6.331 -4.920 1.00 0.00 WT1 H ATOM 5110 OH2 TIP3 683 0.754 -3.363 3.579 1.00 0.00 WT1 O ATOM 5111 H1 TIP3 683 -21.119 13.294 19.529 1.00 0.00 WT1 H ATOM 5112 H2 TIP3 683 20.133 -7.010 12.397 1.00 0.00 WT1 H ATOM 5113 OH2 TIP3 684 -3.676 0.475 3.399 1.00 0.00 WT1 O ATOM 5114 H1 TIP3 684 -19.122 -10.588 -2.617 1.00 0.00 WT1 H ATOM 5115 H2 TIP3 684 14.088 -5.543 -8.404 1.00 0.00 WT1 H ATOM 5116 OH2 TIP3 685 -0.611 -1.337 -2.274 1.00 0.00 WT1 O ATOM 5117 H1 TIP3 685 20.491 -17.007 29.723 1.00 0.00 WT1 H ATOM 5118 H2 TIP3 685 8.045 -11.074 0.931 1.00 0.00 WT1 H ATOM 5119 OH2 TIP3 686 -6.256 5.871 0.955 1.00 0.00 WT1 O ATOM 5120 H1 TIP3 686 -21.244 -1.572 18.617 1.00 0.00 WT1 H ATOM 5121 H2 TIP3 686 -3.692 -2.257 -3.110 1.00 0.00 WT1 H ATOM 5122 OH2 TIP3 687 -2.654 2.756 5.688 1.00 0.00 WT1 O ATOM 5123 H1 TIP3 687 0.087 12.661 1.839 1.00 0.00 WT1 H ATOM 5124 H2 TIP3 687 -11.544 0.184 -1.164 1.00 0.00 WT1 H ATOM 5125 OH2 TIP3 689 -7.764 1.208 -1.020 1.00 0.00 WT1 O ATOM 5126 H1 TIP3 689 -20.172 -5.613 -4.718 1.00 0.00 WT1 H ATOM 5127 H2 TIP3 689 -9.759 3.764 8.900 1.00 0.00 WT1 H ATOM 5128 OH2 TIP3 690 6.226 -2.265 2.530 1.00 0.00 WT1 O ATOM 5129 H1 TIP3 690 -6.412 9.665 -0.415 1.00 0.00 WT1 H ATOM 5130 H2 TIP3 690 18.084 -10.567 -3.350 1.00 0.00 WT1 H ATOM 5131 OH2 TIP3 692 -3.052 2.725 -5.665 1.00 0.00 WT1 O ATOM 5132 H1 TIP3 692 7.920 -4.326 -4.977 1.00 0.00 WT1 H ATOM 5133 H2 TIP3 692 -8.164 18.148 18.443 1.00 0.00 WT1 H ATOM 5134 OH2 TIP3 693 -0.390 -1.495 -1.578 1.00 0.00 WT1 O ATOM 5135 H1 TIP3 693 -10.942 13.552 -18.480 1.00 0.00 WT1 H ATOM 5136 H2 TIP3 693 0.784 2.948 -11.043 1.00 0.00 WT1 H ATOM 5137 OH2 TIP3 694 1.103 -1.412 4.553 1.00 0.00 WT1 O ATOM 5138 H1 TIP3 694 5.760 2.861 2.059 1.00 0.00 WT1 H ATOM 5139 H2 TIP3 694 -1.687 -17.641 2.931 1.00 0.00 WT1 H ATOM 5140 OH2 TIP3 695 -5.878 -4.668 2.391 1.00 0.00 WT1 O ATOM 5141 H1 TIP3 695 -3.548 -4.157 -3.561 1.00 0.00 WT1 H ATOM 5142 H2 TIP3 695 -9.224 11.990 -5.165 1.00 0.00 WT1 H ATOM 5143 OH2 TIP3 696 3.015 -4.241 -5.703 1.00 0.00 WT1 O ATOM 5144 H1 TIP3 696 -12.531 -31.418 -31.646 1.00 0.00 WT1 H ATOM 5145 H2 TIP3 696 32.709 -10.433 -6.616 1.00 0.00 WT1 H ATOM 5146 OH2 TIP3 697 2.491 5.643 2.157 1.00 0.00 WT1 O ATOM 5147 H1 TIP3 697 9.673 -2.560 36.075 1.00 0.00 WT1 H ATOM 5148 H2 TIP3 697 6.121 3.148 14.424 1.00 0.00 WT1 H ATOM 5149 OH2 TIP3 698 -2.064 0.558 -4.251 1.00 0.00 WT1 O ATOM 5150 H1 TIP3 698 -2.481 0.418 -3.718 1.00 0.00 WT1 H ATOM 5151 H2 TIP3 698 16.235 5.484 10.274 1.00 0.00 WT1 H ATOM 5152 OH2 TIP3 699 -10.452 3.002 -0.812 1.00 0.00 WT1 O ATOM 5153 H1 TIP3 699 14.678 9.937 -6.092 1.00 0.00 WT1 H ATOM 5154 H2 TIP3 699 -7.480 -13.397 -35.524 1.00 0.00 WT1 H ATOM 5155 OH2 TIP3 700 1.323 -2.598 -0.198 1.00 0.00 WT1 O ATOM 5156 H1 TIP3 700 -1.157 0.668 0.377 1.00 0.00 WT1 H ATOM 5157 H2 TIP3 700 -0.133 16.954 -3.329 1.00 0.00 WT1 H ATOM 5158 OH2 TIP3 701 1.355 2.248 -5.186 1.00 0.00 WT1 O ATOM 5159 H1 TIP3 701 -21.754 -18.462 4.782 1.00 0.00 WT1 H ATOM 5160 H2 TIP3 701 -5.304 -0.424 10.375 1.00 0.00 WT1 H ATOM 5161 OH2 TIP3 702 0.078 1.807 7.272 1.00 0.00 WT1 O ATOM 5162 H1 TIP3 702 -2.213 -11.799 5.612 1.00 0.00 WT1 H ATOM 5163 H2 TIP3 702 5.849 8.986 10.668 1.00 0.00 WT1 H ATOM 5164 OH2 TIP3 703 4.012 4.356 -2.834 1.00 0.00 WT1 O ATOM 5165 H1 TIP3 703 5.671 24.085 7.670 1.00 0.00 WT1 H ATOM 5166 H2 TIP3 703 -8.681 10.638 -14.340 1.00 0.00 WT1 H ATOM 5167 OH2 TIP3 704 0.473 -0.325 -6.098 1.00 0.00 WT1 O ATOM 5168 H1 TIP3 704 -14.961 2.855 15.223 1.00 0.00 WT1 H ATOM 5169 H2 TIP3 704 9.516 -2.960 9.303 1.00 0.00 WT1 H ATOM 5170 OH2 TIP3 705 5.751 -0.040 1.639 1.00 0.00 WT1 O ATOM 5171 H1 TIP3 705 3.240 -4.241 3.903 1.00 0.00 WT1 H ATOM 5172 H2 TIP3 705 29.367 -11.951 4.112 1.00 0.00 WT1 H ATOM 5173 OH2 TIP3 706 -3.602 2.802 0.875 1.00 0.00 WT1 O ATOM 5174 H1 TIP3 706 3.058 7.719 9.075 1.00 0.00 WT1 H ATOM 5175 H2 TIP3 706 10.792 -16.206 -24.939 1.00 0.00 WT1 H ATOM 5176 OH2 TIP3 707 4.509 -6.320 3.055 1.00 0.00 WT1 O ATOM 5177 H1 TIP3 707 -8.125 -6.913 4.277 1.00 0.00 WT1 H ATOM 5178 H2 TIP3 707 5.991 -5.472 -14.873 1.00 0.00 WT1 H ATOM 5179 OH2 TIP3 708 0.732 6.987 -3.304 1.00 0.00 WT1 O ATOM 5180 H1 TIP3 708 0.734 3.407 -0.789 1.00 0.00 WT1 H ATOM 5181 H2 TIP3 708 -27.245 -9.635 0.888 1.00 0.00 WT1 H ATOM 5182 OH2 TIP3 709 -4.021 5.420 -0.938 1.00 0.00 WT1 O ATOM 5183 H1 TIP3 709 -8.807 3.947 8.433 1.00 0.00 WT1 H ATOM 5184 H2 TIP3 709 0.925 3.606 -7.821 1.00 0.00 WT1 H ATOM 5185 OH2 TIP3 710 6.422 -3.392 1.403 1.00 0.00 WT1 O ATOM 5186 H1 TIP3 710 3.176 3.324 -3.645 1.00 0.00 WT1 H ATOM 5187 H2 TIP3 710 6.091 -13.996 10.337 1.00 0.00 WT1 H ATOM 5188 OH2 TIP3 711 -1.456 2.302 -1.404 1.00 0.00 WT1 O ATOM 5189 H1 TIP3 711 -1.474 6.760 -25.856 1.00 0.00 WT1 H ATOM 5190 H2 TIP3 711 -1.870 1.537 9.425 1.00 0.00 WT1 H ATOM 5191 OH2 TIP3 712 2.851 -2.010 -1.812 1.00 0.00 WT1 O ATOM 5192 H1 TIP3 712 -2.675 6.504 1.928 1.00 0.00 WT1 H ATOM 5193 H2 TIP3 712 -0.792 -9.834 -9.218 1.00 0.00 WT1 H ATOM 5194 OH2 TIP3 713 -0.042 -1.313 -5.162 1.00 0.00 WT1 O ATOM 5195 H1 TIP3 713 -4.201 -21.100 -2.358 1.00 0.00 WT1 H ATOM 5196 H2 TIP3 713 13.058 -9.129 5.216 1.00 0.00 WT1 H ATOM 5197 OH2 TIP3 714 0.568 3.076 5.483 1.00 0.00 WT1 O ATOM 5198 H1 TIP3 714 -3.836 15.778 26.850 1.00 0.00 WT1 H ATOM 5199 H2 TIP3 714 10.677 -12.114 -34.014 1.00 0.00 WT1 H ATOM 5200 OH2 TIP3 715 -5.579 -1.564 -2.717 1.00 0.00 WT1 O ATOM 5201 H1 TIP3 715 -3.417 -8.080 -19.089 1.00 0.00 WT1 H ATOM 5202 H2 TIP3 715 -29.871 -10.829 -0.860 1.00 0.00 WT1 H ATOM 5203 OH2 TIP3 716 0.344 6.513 -4.882 1.00 0.00 WT1 O ATOM 5204 H1 TIP3 716 1.043 -5.443 -8.080 1.00 0.00 WT1 H ATOM 5205 H2 TIP3 716 8.699 3.308 6.773 1.00 0.00 WT1 H ATOM 5206 OH2 TIP3 717 -1.743 6.944 0.932 1.00 0.00 WT1 O ATOM 5207 H1 TIP3 717 15.778 -18.172 12.994 1.00 0.00 WT1 H ATOM 5208 H2 TIP3 717 -1.545 6.351 1.100 1.00 0.00 WT1 H ATOM 5209 OH2 TIP3 718 -4.948 -0.677 9.008 1.00 0.00 WT1 O ATOM 5210 H1 TIP3 718 -6.466 8.787 15.461 1.00 0.00 WT1 H ATOM 5211 H2 TIP3 718 5.397 -12.320 -4.801 1.00 0.00 WT1 H ATOM 5212 OH2 TIP3 719 -4.467 0.253 9.749 1.00 0.00 WT1 O ATOM 5213 H1 TIP3 719 14.986 -8.523 18.857 1.00 0.00 WT1 H ATOM 5214 H2 TIP3 719 -4.528 -6.171 -6.893 1.00 0.00 WT1 H ATOM 5215 OH2 TIP3 720 -4.642 -2.940 0.337 1.00 0.00 WT1 O ATOM 5216 H1 TIP3 720 -6.418 -21.743 -11.312 1.00 0.00 WT1 H ATOM 5217 H2 TIP3 720 -10.255 17.703 0.621 1.00 0.00 WT1 H ATOM 5218 OH2 TIP3 721 5.917 5.053 -1.757 1.00 0.00 WT1 O ATOM 5219 H1 TIP3 721 3.586 9.272 -8.188 1.00 0.00 WT1 H ATOM 5220 H2 TIP3 721 2.966 15.329 -15.354 1.00 0.00 WT1 H ATOM 5221 OH2 TIP3 722 -5.879 3.798 1.523 1.00 0.00 WT1 O ATOM 5222 H1 TIP3 722 27.169 -8.880 4.835 1.00 0.00 WT1 H ATOM 5223 H2 TIP3 722 -6.381 -19.636 8.671 1.00 0.00 WT1 H ATOM 5224 OH2 TIP3 723 0.663 5.611 -2.203 1.00 0.00 WT1 O ATOM 5225 H1 TIP3 723 -8.333 -5.121 6.365 1.00 0.00 WT1 H ATOM 5226 H2 TIP3 723 -4.343 4.614 -17.030 1.00 0.00 WT1 H ATOM 5227 OH2 TIP3 724 -3.594 0.198 -0.247 1.00 0.00 WT1 O ATOM 5228 H1 TIP3 724 -12.394 3.616 -5.576 1.00 0.00 WT1 H ATOM 5229 H2 TIP3 724 -5.624 6.368 7.444 1.00 0.00 WT1 H ATOM 5230 OH2 TIP3 725 4.615 1.273 2.643 1.00 0.00 WT1 O ATOM 5231 H1 TIP3 725 3.181 3.999 4.007 1.00 0.00 WT1 H ATOM 5232 H2 TIP3 725 9.585 -7.307 -1.911 1.00 0.00 WT1 H ATOM 5233 OH2 TIP3 726 2.697 4.976 4.375 1.00 0.00 WT1 O ATOM 5234 H1 TIP3 726 6.948 -6.499 13.268 1.00 0.00 WT1 H ATOM 5235 H2 TIP3 726 -3.032 13.327 -7.498 1.00 0.00 WT1 H ATOM 5236 OH2 TIP3 728 -1.285 -2.184 -2.406 1.00 0.00 WT1 O ATOM 5237 H1 TIP3 728 1.174 -1.021 7.303 1.00 0.00 WT1 H ATOM 5238 H2 TIP3 728 -10.077 4.523 -2.879 1.00 0.00 WT1 H ATOM 5239 OH2 TIP3 729 -1.097 -1.579 -4.828 1.00 0.00 WT1 O ATOM 5240 H1 TIP3 729 -1.629 12.444 20.409 1.00 0.00 WT1 H ATOM 5241 H2 TIP3 729 0.907 -6.925 -12.642 1.00 0.00 WT1 H ATOM 5242 OH2 TIP3 730 -3.115 -3.312 4.425 1.00 0.00 WT1 O ATOM 5243 H1 TIP3 730 0.893 -6.823 -1.561 1.00 0.00 WT1 H ATOM 5244 H2 TIP3 730 -4.034 5.333 12.453 1.00 0.00 WT1 H ATOM 5245 OH2 TIP3 731 2.088 1.363 -0.423 1.00 0.00 WT1 O ATOM 5246 H1 TIP3 731 10.373 -7.705 -21.329 1.00 0.00 WT1 H ATOM 5247 H2 TIP3 731 -16.776 19.329 -6.161 1.00 0.00 WT1 H ATOM 5248 OH2 TIP3 732 0.482 0.502 -3.370 1.00 0.00 WT1 O ATOM 5249 H1 TIP3 732 0.646 -8.073 10.496 1.00 0.00 WT1 H ATOM 5250 H2 TIP3 732 4.985 -2.876 -9.756 1.00 0.00 WT1 H ATOM 5251 OH2 TIP3 733 -2.053 2.285 -0.121 1.00 0.00 WT1 O ATOM 5252 H1 TIP3 733 3.959 15.154 -0.938 1.00 0.00 WT1 H ATOM 5253 H2 TIP3 733 -0.543 11.004 -35.432 1.00 0.00 WT1 H ATOM 5254 OH2 TIP3 734 2.829 0.754 -2.619 1.00 0.00 WT1 O ATOM 5255 H1 TIP3 734 1.942 -16.420 -17.411 1.00 0.00 WT1 H ATOM 5256 H2 TIP3 734 2.360 11.158 6.146 1.00 0.00 WT1 H ATOM 5257 OH2 TIP3 735 -3.653 0.960 -4.070 1.00 0.00 WT1 O ATOM 5258 H1 TIP3 735 -4.376 1.590 -4.615 1.00 0.00 WT1 H ATOM 5259 H2 TIP3 735 -1.880 -2.480 -1.306 1.00 0.00 WT1 H ATOM 5260 OH2 TIP3 736 -0.406 5.698 -0.715 1.00 0.00 WT1 O ATOM 5261 H1 TIP3 736 22.927 16.646 -7.067 1.00 0.00 WT1 H ATOM 5262 H2 TIP3 736 9.956 22.453 -19.323 1.00 0.00 WT1 H ATOM 5263 OH2 TIP3 737 0.296 -2.092 1.034 1.00 0.00 WT1 O ATOM 5264 H1 TIP3 737 12.492 -5.338 6.914 1.00 0.00 WT1 H ATOM 5265 H2 TIP3 737 -1.125 -14.045 -3.828 1.00 0.00 WT1 H ATOM 5266 OH2 TIP3 738 0.275 6.775 1.581 1.00 0.00 WT1 O ATOM 5267 H1 TIP3 738 10.288 1.785 -2.111 1.00 0.00 WT1 H ATOM 5268 H2 TIP3 738 4.820 -1.811 6.699 1.00 0.00 WT1 H ATOM 5269 OH2 TIP3 739 2.677 -2.545 -0.230 1.00 0.00 WT1 O ATOM 5270 H1 TIP3 739 4.433 -7.144 13.834 1.00 0.00 WT1 H ATOM 5271 H2 TIP3 739 1.804 -9.214 23.136 1.00 0.00 WT1 H ATOM 5272 OH2 TIP3 740 -1.559 -0.429 -3.613 1.00 0.00 WT1 O ATOM 5273 H1 TIP3 740 -14.140 9.132 -11.819 1.00 0.00 WT1 H ATOM 5274 H2 TIP3 740 7.165 1.904 -8.306 1.00 0.00 WT1 H ATOM 5275 OH2 TIP3 741 -1.134 4.542 8.711 1.00 0.00 WT1 O ATOM 5276 H1 TIP3 741 -18.918 -32.401 -5.521 1.00 0.00 WT1 H ATOM 5277 H2 TIP3 741 0.781 3.688 30.793 1.00 0.00 WT1 H ATOM 5278 OH2 TIP3 742 -1.095 -1.808 4.732 1.00 0.00 WT1 O ATOM 5279 H1 TIP3 742 -4.898 10.852 31.772 1.00 0.00 WT1 H ATOM 5280 H2 TIP3 742 3.472 -17.585 -31.271 1.00 0.00 WT1 H ATOM 5281 OH2 TIP3 743 0.854 -1.312 -1.572 1.00 0.00 WT1 O ATOM 5282 H1 TIP3 743 3.067 -2.876 3.566 1.00 0.00 WT1 H ATOM 5283 H2 TIP3 743 -5.984 -12.351 5.351 1.00 0.00 WT1 H ATOM 5284 OH2 TIP3 744 -2.326 1.413 -3.491 1.00 0.00 WT1 O ATOM 5285 H1 TIP3 744 -5.958 -8.183 -9.102 1.00 0.00 WT1 H ATOM 5286 H2 TIP3 744 15.688 16.708 7.355 1.00 0.00 WT1 H ATOM 5287 OH2 TIP3 745 6.809 -3.113 -1.793 1.00 0.00 WT1 O ATOM 5288 H1 TIP3 745 3.546 -5.987 -22.502 1.00 0.00 WT1 H ATOM 5289 H2 TIP3 745 12.058 6.754 -15.715 1.00 0.00 WT1 H ATOM 5290 OH2 TIP3 746 0.069 -1.734 -1.958 1.00 0.00 WT1 O ATOM 5291 H1 TIP3 746 16.511 6.326 0.114 1.00 0.00 WT1 H ATOM 5292 H2 TIP3 746 -9.077 -22.121 -11.401 1.00 0.00 WT1 H ATOM 5293 OH2 TIP3 747 2.158 -1.657 4.698 1.00 0.00 WT1 O ATOM 5294 H1 TIP3 747 1.518 9.143 5.031 1.00 0.00 WT1 H ATOM 5295 H2 TIP3 747 11.013 -2.724 8.623 1.00 0.00 WT1 H ATOM 5296 OH2 TIP3 748 -3.982 -0.865 2.279 1.00 0.00 WT1 O ATOM 5297 H1 TIP3 748 -17.478 -2.744 3.078 1.00 0.00 WT1 H ATOM 5298 H2 TIP3 748 1.809 -2.029 2.428 1.00 0.00 WT1 H ATOM 5299 OH2 TIP3 749 4.466 1.297 -3.064 1.00 0.00 WT1 O ATOM 5300 H1 TIP3 749 16.376 -19.674 -16.413 1.00 0.00 WT1 H ATOM 5301 H2 TIP3 749 13.392 -4.467 -6.227 1.00 0.00 WT1 H ATOM 5302 OH2 TIP3 750 0.390 0.866 -5.508 1.00 0.00 WT1 O ATOM 5303 H1 TIP3 750 -1.724 -3.639 -7.487 1.00 0.00 WT1 H ATOM 5304 H2 TIP3 750 14.198 2.286 -31.426 1.00 0.00 WT1 H ATOM 5305 OH2 TIP3 751 2.551 -0.834 1.643 1.00 0.00 WT1 O ATOM 5306 H1 TIP3 751 -2.221 -0.097 6.603 1.00 0.00 WT1 H ATOM 5307 H2 TIP3 751 1.392 -15.611 3.097 1.00 0.00 WT1 H ATOM 5308 OH2 TIP3 752 -5.934 -1.783 -4.717 1.00 0.00 WT1 O ATOM 5309 H1 TIP3 752 -8.482 -2.356 8.257 1.00 0.00 WT1 H ATOM 5310 H2 TIP3 752 2.903 -2.686 -17.506 1.00 0.00 WT1 H ATOM 5311 OH2 TIP3 753 -1.483 -4.614 -1.362 1.00 0.00 WT1 O ATOM 5312 H1 TIP3 753 -2.828 -1.623 9.894 1.00 0.00 WT1 H ATOM 5313 H2 TIP3 753 -1.913 -13.813 -5.237 1.00 0.00 WT1 H ATOM 5314 OH2 TIP3 754 0.513 -0.452 1.737 1.00 0.00 WT1 O ATOM 5315 H1 TIP3 754 -1.016 -3.186 0.380 1.00 0.00 WT1 H ATOM 5316 H2 TIP3 754 -10.241 2.490 -14.204 1.00 0.00 WT1 H ATOM 5317 OH2 TIP3 755 -4.109 11.376 -0.658 1.00 0.00 WT1 O ATOM 5318 H1 TIP3 755 -5.635 9.296 -4.385 1.00 0.00 WT1 H ATOM 5319 H2 TIP3 755 -2.096 13.852 0.040 1.00 0.00 WT1 H ATOM 5320 OH2 TIP3 756 -2.444 1.668 5.213 1.00 0.00 WT1 O ATOM 5321 H1 TIP3 756 -11.881 -4.820 17.302 1.00 0.00 WT1 H ATOM 5322 H2 TIP3 756 26.653 20.188 -9.818 1.00 0.00 WT1 H ATOM 5323 OH2 TIP3 757 -2.045 0.790 1.412 1.00 0.00 WT1 O ATOM 5324 H1 TIP3 757 8.973 5.526 -17.414 1.00 0.00 WT1 H ATOM 5325 H2 TIP3 757 -13.096 0.717 7.495 1.00 0.00 WT1 H ATOM 5326 OH2 TIP3 758 0.296 -8.460 0.056 1.00 0.00 WT1 O ATOM 5327 H1 TIP3 758 -3.235 -9.065 -6.469 1.00 0.00 WT1 H ATOM 5328 H2 TIP3 758 -13.872 -10.230 -24.835 1.00 0.00 WT1 H ATOM 5329 OH2 TIP3 759 4.143 1.686 0.014 1.00 0.00 WT1 O ATOM 5330 H1 TIP3 759 4.717 11.393 1.856 1.00 0.00 WT1 H ATOM 5331 H2 TIP3 759 12.570 -0.137 -3.046 1.00 0.00 WT1 H ATOM 5332 OH2 TIP3 760 -0.468 0.908 0.541 1.00 0.00 WT1 O ATOM 5333 H1 TIP3 760 -13.219 7.297 16.931 1.00 0.00 WT1 H ATOM 5334 H2 TIP3 760 14.889 -16.944 -5.693 1.00 0.00 WT1 H ATOM 5335 OH2 TIP3 761 4.185 1.816 -1.997 1.00 0.00 WT1 O ATOM 5336 H1 TIP3 761 -6.172 6.535 -5.875 1.00 0.00 WT1 H ATOM 5337 H2 TIP3 761 4.801 3.885 9.145 1.00 0.00 WT1 H ATOM 5338 OH2 TIP3 762 1.174 0.149 -1.476 1.00 0.00 WT1 O ATOM 5339 H1 TIP3 762 11.824 -18.690 4.206 1.00 0.00 WT1 H ATOM 5340 H2 TIP3 762 -6.989 8.217 17.073 1.00 0.00 WT1 H ATOM 5341 OH2 TIP3 763 3.505 -2.486 -3.005 1.00 0.00 WT1 O ATOM 5342 H1 TIP3 763 -0.601 -10.560 25.125 1.00 0.00 WT1 H ATOM 5343 H2 TIP3 763 -0.547 11.569 -4.373 1.00 0.00 WT1 H ATOM 5344 OH2 TIP3 764 -5.830 0.776 -0.046 1.00 0.00 WT1 O ATOM 5345 H1 TIP3 764 4.047 -13.971 -13.993 1.00 0.00 WT1 H ATOM 5346 H2 TIP3 764 -8.443 -10.160 13.420 1.00 0.00 WT1 H ATOM 5347 OH2 TIP3 765 2.455 -2.971 0.148 1.00 0.00 WT1 O ATOM 5348 H1 TIP3 765 -1.874 0.909 14.006 1.00 0.00 WT1 H ATOM 5349 H2 TIP3 765 -1.322 7.893 2.231 1.00 0.00 WT1 H ATOM 5350 OH2 TIP3 766 3.905 1.558 -0.915 1.00 0.00 WT1 O ATOM 5351 H1 TIP3 766 13.654 -7.010 23.983 1.00 0.00 WT1 H ATOM 5352 H2 TIP3 766 8.518 -12.848 17.403 1.00 0.00 WT1 H ATOM 5353 OH2 TIP3 767 -6.831 2.204 -3.424 1.00 0.00 WT1 O ATOM 5354 H1 TIP3 767 -0.080 -16.267 -0.217 1.00 0.00 WT1 H ATOM 5355 H2 TIP3 767 -26.548 -1.677 -8.187 1.00 0.00 WT1 H ATOM 5356 OH2 TIP3 768 7.704 -4.166 -7.504 1.00 0.00 WT1 O ATOM 5357 H1 TIP3 768 4.843 1.932 5.112 1.00 0.00 WT1 H ATOM 5358 H2 TIP3 768 6.575 2.367 2.371 1.00 0.00 WT1 H ATOM 5359 OH2 TIP3 769 2.626 6.212 0.046 1.00 0.00 WT1 O ATOM 5360 H1 TIP3 769 -0.711 7.622 4.069 1.00 0.00 WT1 H ATOM 5361 H2 TIP3 769 21.389 13.720 -4.077 1.00 0.00 WT1 H ATOM 5362 OH2 TIP3 770 5.446 3.262 -0.889 1.00 0.00 WT1 O ATOM 5363 H1 TIP3 770 -14.820 9.871 -3.838 1.00 0.00 WT1 H ATOM 5364 H2 TIP3 770 2.837 2.016 -5.926 1.00 0.00 WT1 H ATOM 5365 OH2 TIP3 771 -0.348 -1.428 6.482 1.00 0.00 WT1 O ATOM 5366 H1 TIP3 771 -2.649 19.851 10.965 1.00 0.00 WT1 H ATOM 5367 H2 TIP3 771 -17.855 -6.914 -8.020 1.00 0.00 WT1 H ATOM 5368 OH2 TIP3 772 0.568 -8.936 -0.651 1.00 0.00 WT1 O ATOM 5369 H1 TIP3 772 -12.187 -15.606 -10.367 1.00 0.00 WT1 H ATOM 5370 H2 TIP3 772 11.124 6.282 -6.784 1.00 0.00 WT1 H ATOM 5371 OH2 TIP3 773 -1.534 7.982 1.221 1.00 0.00 WT1 O ATOM 5372 H1 TIP3 773 -1.249 2.757 29.355 1.00 0.00 WT1 H ATOM 5373 H2 TIP3 773 1.646 13.715 -28.729 1.00 0.00 WT1 H ATOM 5374 OH2 TIP3 774 -0.103 1.788 -6.359 1.00 0.00 WT1 O ATOM 5375 H1 TIP3 774 22.277 -0.896 -4.593 1.00 0.00 WT1 H ATOM 5376 H2 TIP3 774 -7.541 -7.428 10.666 1.00 0.00 WT1 H ATOM 5377 OH2 TIP3 775 1.963 -1.365 -3.260 1.00 0.00 WT1 O ATOM 5378 H1 TIP3 775 -1.318 -14.495 -9.381 1.00 0.00 WT1 H ATOM 5379 H2 TIP3 775 3.765 6.567 -0.055 1.00 0.00 WT1 H ATOM 5380 OH2 TIP3 776 -4.039 -0.236 -3.278 1.00 0.00 WT1 O ATOM 5381 H1 TIP3 776 -21.209 9.572 1.954 1.00 0.00 WT1 H ATOM 5382 H2 TIP3 776 -0.419 3.219 6.197 1.00 0.00 WT1 H ATOM 5383 OH2 TIP3 777 -2.830 -1.012 2.307 1.00 0.00 WT1 O ATOM 5384 H1 TIP3 777 21.979 1.350 0.974 1.00 0.00 WT1 H ATOM 5385 H2 TIP3 777 -20.477 -0.570 2.846 1.00 0.00 WT1 H ATOM 5386 OH2 TIP3 778 0.983 2.334 0.031 1.00 0.00 WT1 O ATOM 5387 H1 TIP3 778 -2.355 -2.165 -1.713 1.00 0.00 WT1 H ATOM 5388 H2 TIP3 778 16.499 11.820 -2.566 1.00 0.00 WT1 H ATOM 5389 OH2 TIP3 780 2.885 2.101 -0.051 1.00 0.00 WT1 O ATOM 5390 H1 TIP3 780 14.938 8.300 -10.643 1.00 0.00 WT1 H ATOM 5391 H2 TIP3 780 -13.607 -0.247 -2.958 1.00 0.00 WT1 H ATOM 5392 OH2 TIP3 781 0.692 1.867 -2.152 1.00 0.00 WT1 O ATOM 5393 H1 TIP3 781 -1.938 4.019 0.105 1.00 0.00 WT1 H ATOM 5394 H2 TIP3 781 2.417 1.854 -2.635 1.00 0.00 WT1 H ATOM 5395 OH2 TIP3 782 2.014 0.037 -1.029 1.00 0.00 WT1 O ATOM 5396 H1 TIP3 782 5.592 6.306 -3.588 1.00 0.00 WT1 H ATOM 5397 H2 TIP3 782 0.590 -8.853 -4.447 1.00 0.00 WT1 H ATOM 5398 OH2 TIP3 783 0.737 0.536 0.990 1.00 0.00 WT1 O ATOM 5399 H1 TIP3 783 -5.239 -1.411 -4.204 1.00 0.00 WT1 H ATOM 5400 H2 TIP3 783 33.893 15.338 34.022 1.00 0.00 WT1 H ATOM 5401 OH2 TIP3 784 -3.559 -1.362 6.515 1.00 0.00 WT1 O ATOM 5402 H1 TIP3 784 -1.940 -1.820 -0.004 1.00 0.00 WT1 H ATOM 5403 H2 TIP3 784 -9.478 4.184 -8.273 1.00 0.00 WT1 H ATOM 5404 OH2 TIP3 785 -0.802 -4.715 3.784 1.00 0.00 WT1 O ATOM 5405 H1 TIP3 785 -1.389 -8.406 -8.295 1.00 0.00 WT1 H ATOM 5406 H2 TIP3 785 0.947 -7.241 3.990 1.00 0.00 WT1 H ATOM 5407 OH2 TIP3 786 0.506 0.225 -4.809 1.00 0.00 WT1 O ATOM 5408 H1 TIP3 786 10.481 5.950 -6.976 1.00 0.00 WT1 H ATOM 5409 H2 TIP3 786 3.604 -8.687 -5.637 1.00 0.00 WT1 H ATOM 5410 OH2 TIP3 787 -1.148 -1.193 -1.863 1.00 0.00 WT1 O ATOM 5411 H1 TIP3 787 -9.494 -0.512 -0.260 1.00 0.00 WT1 H ATOM 5412 H2 TIP3 787 -9.962 9.255 -10.793 1.00 0.00 WT1 H ATOM 5413 OH2 TIP3 788 6.489 0.404 -7.049 1.00 0.00 WT1 O ATOM 5414 H1 TIP3 788 -8.131 11.563 1.065 1.00 0.00 WT1 H ATOM 5415 H2 TIP3 788 9.045 -9.412 -7.563 1.00 0.00 WT1 H ATOM 5416 OH2 TIP3 789 5.779 1.768 -4.881 1.00 0.00 WT1 O ATOM 5417 H1 TIP3 789 12.998 -1.041 1.718 1.00 0.00 WT1 H ATOM 5418 H2 TIP3 789 36.458 -22.105 0.241 1.00 0.00 WT1 H ATOM 5419 OH2 TIP3 790 7.793 -0.614 2.807 1.00 0.00 WT1 O ATOM 5420 H1 TIP3 790 -9.962 -3.733 11.955 1.00 0.00 WT1 H ATOM 5421 H2 TIP3 790 26.391 4.377 24.729 1.00 0.00 WT1 H ATOM 5422 OH2 TIP3 791 -1.652 -2.853 2.566 1.00 0.00 WT1 O ATOM 5423 H1 TIP3 791 -6.324 -0.073 7.564 1.00 0.00 WT1 H ATOM 5424 H2 TIP3 791 2.965 3.159 -0.407 1.00 0.00 WT1 H ATOM 5425 OH2 TIP3 792 -0.549 -1.398 0.744 1.00 0.00 WT1 O ATOM 5426 H1 TIP3 792 -11.625 8.280 -6.804 1.00 0.00 WT1 H ATOM 5427 H2 TIP3 792 18.885 -22.505 9.845 1.00 0.00 WT1 H ATOM 5428 OH2 TIP3 793 2.867 -0.850 -3.067 1.00 0.00 WT1 O ATOM 5429 H1 TIP3 793 15.884 2.203 -0.643 1.00 0.00 WT1 H ATOM 5430 H2 TIP3 793 -6.467 18.977 7.247 1.00 0.00 WT1 H ATOM 5431 OH2 TIP3 794 3.948 4.772 2.277 1.00 0.00 WT1 O ATOM 5432 H1 TIP3 794 -19.149 -6.969 2.864 1.00 0.00 WT1 H ATOM 5433 H2 TIP3 794 25.474 4.929 10.856 1.00 0.00 WT1 H ATOM 5434 OH2 TIP3 795 -4.095 -4.422 0.627 1.00 0.00 WT1 O ATOM 5435 H1 TIP3 795 10.437 12.751 0.453 1.00 0.00 WT1 H ATOM 5436 H2 TIP3 795 -3.384 0.707 -4.488 1.00 0.00 WT1 H ATOM 5437 OH2 TIP3 796 -0.738 1.574 -2.854 1.00 0.00 WT1 O ATOM 5438 H1 TIP3 796 -11.857 15.888 8.907 1.00 0.00 WT1 H ATOM 5439 H2 TIP3 796 -3.027 0.817 6.599 1.00 0.00 WT1 H ATOM 5440 OH2 TIP3 797 4.481 -7.071 -1.174 1.00 0.00 WT1 O ATOM 5441 H1 TIP3 797 3.227 -1.202 3.791 1.00 0.00 WT1 H ATOM 5442 H2 TIP3 797 7.572 -7.503 0.314 1.00 0.00 WT1 H ATOM 5443 OH2 TIP3 798 3.236 -1.244 4.723 1.00 0.00 WT1 O ATOM 5444 H1 TIP3 798 -14.493 3.632 -6.397 1.00 0.00 WT1 H ATOM 5445 H2 TIP3 798 -11.345 -8.343 -4.603 1.00 0.00 WT1 H ATOM 5446 OH2 TIP3 800 -1.615 -4.301 -0.091 1.00 0.00 WT1 O ATOM 5447 H1 TIP3 800 8.452 4.772 0.672 1.00 0.00 WT1 H ATOM 5448 H2 TIP3 800 -8.726 -5.939 -13.558 1.00 0.00 WT1 H ATOM 5449 OH2 TIP3 801 -1.912 -0.807 4.479 1.00 0.00 WT1 O ATOM 5450 H1 TIP3 801 -10.462 -6.808 -6.620 1.00 0.00 WT1 H ATOM 5451 H2 TIP3 801 1.190 18.569 -35.024 1.00 0.00 WT1 H ATOM 5452 OH2 TIP3 802 4.119 -3.651 -2.641 1.00 0.00 WT1 O ATOM 5453 H1 TIP3 802 10.693 17.692 -4.585 1.00 0.00 WT1 H ATOM 5454 H2 TIP3 802 -15.521 -2.808 8.657 1.00 0.00 WT1 H ATOM 5455 OH2 TIP3 803 2.027 6.670 -3.207 1.00 0.00 WT1 O ATOM 5456 H1 TIP3 803 -24.412 12.315 -1.126 1.00 0.00 WT1 H ATOM 5457 H2 TIP3 803 -5.056 11.324 -6.275 1.00 0.00 WT1 H ATOM 5458 OH2 TIP3 804 -2.293 -1.605 -4.388 1.00 0.00 WT1 O ATOM 5459 H1 TIP3 804 11.186 3.509 2.830 1.00 0.00 WT1 H ATOM 5460 H2 TIP3 804 4.095 0.571 3.105 1.00 0.00 WT1 H ATOM 5461 OH2 TIP3 805 -8.299 4.056 -0.357 1.00 0.00 WT1 O ATOM 5462 H1 TIP3 805 -21.897 3.645 2.074 1.00 0.00 WT1 H ATOM 5463 H2 TIP3 805 -4.508 10.808 11.263 1.00 0.00 WT1 H ATOM 5464 OH2 TIP3 806 -0.607 6.706 -4.959 1.00 0.00 WT1 O ATOM 5465 H1 TIP3 806 -16.908 9.889 -8.827 1.00 0.00 WT1 H ATOM 5466 H2 TIP3 806 -3.581 14.055 1.519 1.00 0.00 WT1 H ATOM 5467 OH2 TIP3 807 -1.253 -0.292 2.043 1.00 0.00 WT1 O ATOM 5468 H1 TIP3 807 -17.252 0.445 5.820 1.00 0.00 WT1 H ATOM 5469 H2 TIP3 807 -7.868 4.734 2.186 1.00 0.00 WT1 H ATOM 5470 OH2 TIP3 808 -2.584 0.118 1.151 1.00 0.00 WT1 O ATOM 5471 H1 TIP3 808 2.407 -6.651 1.962 1.00 0.00 WT1 H ATOM 5472 H2 TIP3 808 12.316 -11.105 7.174 1.00 0.00 WT1 H ATOM 5473 OH2 TIP3 809 8.916 5.484 -6.540 1.00 0.00 WT1 O ATOM 5474 H1 TIP3 809 30.475 -16.766 19.646 1.00 0.00 WT1 H ATOM 5475 H2 TIP3 809 -9.244 19.023 -17.595 1.00 0.00 WT1 H ATOM 5476 OH2 TIP3 810 -5.826 -0.480 0.603 1.00 0.00 WT1 O ATOM 5477 H1 TIP3 810 5.014 -17.773 -8.887 1.00 0.00 WT1 H ATOM 5478 H2 TIP3 810 -29.296 3.263 -7.215 1.00 0.00 WT1 H ATOM 5479 OH2 TIP3 812 -6.755 4.897 2.188 1.00 0.00 WT1 O ATOM 5480 H1 TIP3 812 -8.914 -11.908 -7.537 1.00 0.00 WT1 H ATOM 5481 H2 TIP3 812 -5.784 11.294 5.747 1.00 0.00 WT1 H ATOM 5482 OH2 TIP3 813 0.945 0.553 4.505 1.00 0.00 WT1 O ATOM 5483 H1 TIP3 813 -1.766 -18.663 -16.791 1.00 0.00 WT1 H ATOM 5484 H2 TIP3 813 11.696 -14.923 27.673 1.00 0.00 WT1 H ATOM 5485 OH2 TIP3 814 -4.005 -8.581 5.555 1.00 0.00 WT1 O ATOM 5486 H1 TIP3 814 -19.401 -9.255 12.004 1.00 0.00 WT1 H ATOM 5487 H2 TIP3 814 17.786 -12.532 4.474 1.00 0.00 WT1 H ATOM 5488 OH2 TIP3 815 2.590 5.043 -9.295 1.00 0.00 WT1 O ATOM 5489 H1 TIP3 815 -5.695 -16.979 2.858 1.00 0.00 WT1 H ATOM 5490 H2 TIP3 815 -1.007 -5.816 -10.862 1.00 0.00 WT1 H ATOM 5491 OH2 TIP3 816 -6.666 2.073 -2.319 1.00 0.00 WT1 O ATOM 5492 H1 TIP3 816 -2.546 8.056 -2.899 1.00 0.00 WT1 H ATOM 5493 H2 TIP3 816 -4.728 3.963 12.754 1.00 0.00 WT1 H ATOM 5494 OH2 TIP3 817 -0.275 -6.183 -1.956 1.00 0.00 WT1 O ATOM 5495 H1 TIP3 817 -22.885 -9.972 14.521 1.00 0.00 WT1 H ATOM 5496 H2 TIP3 817 -11.302 -7.028 14.819 1.00 0.00 WT1 H ATOM 5497 OH2 TIP3 818 2.728 2.138 1.470 1.00 0.00 WT1 O ATOM 5498 H1 TIP3 818 7.133 -2.703 -2.657 1.00 0.00 WT1 H ATOM 5499 H2 TIP3 818 -2.497 3.490 1.023 1.00 0.00 WT1 H ATOM 5500 OH2 TIP3 819 -2.448 2.057 -1.783 1.00 0.00 WT1 O ATOM 5501 H1 TIP3 819 3.609 -13.817 2.534 1.00 0.00 WT1 H ATOM 5502 H2 TIP3 819 1.005 16.337 -9.115 1.00 0.00 WT1 H ATOM 5503 OH2 TIP3 820 -3.876 0.020 -5.911 1.00 0.00 WT1 O ATOM 5504 H1 TIP3 820 1.709 -1.811 -7.046 1.00 0.00 WT1 H ATOM 5505 H2 TIP3 820 -3.345 -4.206 -1.325 1.00 0.00 WT1 H ATOM 5506 OH2 TIP3 821 -8.112 2.021 0.314 1.00 0.00 WT1 O ATOM 5507 H1 TIP3 821 12.535 -3.913 -5.413 1.00 0.00 WT1 H ATOM 5508 H2 TIP3 821 -2.902 -1.084 2.909 1.00 0.00 WT1 H ATOM 5509 OH2 TIP3 822 3.077 4.759 -3.060 1.00 0.00 WT1 O ATOM 5510 H1 TIP3 822 1.020 -7.846 0.612 1.00 0.00 WT1 H ATOM 5511 H2 TIP3 822 19.578 8.639 -0.155 1.00 0.00 WT1 H ATOM 5512 OH2 TIP3 823 -6.208 -7.704 -3.737 1.00 0.00 WT1 O ATOM 5513 H1 TIP3 823 2.419 -22.614 8.937 1.00 0.00 WT1 H ATOM 5514 H2 TIP3 823 -7.629 8.178 8.416 1.00 0.00 WT1 H ATOM 5515 OH2 TIP3 824 -8.149 -3.328 -2.930 1.00 0.00 WT1 O ATOM 5516 H1 TIP3 824 -0.892 -10.645 -12.239 1.00 0.00 WT1 H ATOM 5517 H2 TIP3 824 -5.900 30.620 4.053 1.00 0.00 WT1 H ATOM 5518 OH2 TIP3 825 2.345 -0.945 2.477 1.00 0.00 WT1 O ATOM 5519 H1 TIP3 825 0.954 0.236 -10.024 1.00 0.00 WT1 H ATOM 5520 H2 TIP3 825 -7.919 -1.179 1.774 1.00 0.00 WT1 H ATOM 5521 OH2 TIP3 826 -1.788 -1.152 -8.113 1.00 0.00 WT1 O ATOM 5522 H1 TIP3 826 6.961 5.013 12.067 1.00 0.00 WT1 H ATOM 5523 H2 TIP3 826 -15.962 7.927 6.051 1.00 0.00 WT1 H ATOM 5524 OH2 TIP3 827 -6.625 -7.682 -1.400 1.00 0.00 WT1 O ATOM 5525 H1 TIP3 827 -19.129 -14.803 -7.457 1.00 0.00 WT1 H ATOM 5526 H2 TIP3 827 -9.306 -2.656 11.307 1.00 0.00 WT1 H ATOM 5527 OH2 TIP3 828 5.103 8.641 -2.361 1.00 0.00 WT1 O ATOM 5528 H1 TIP3 828 8.065 26.206 -5.521 1.00 0.00 WT1 H ATOM 5529 H2 TIP3 828 -0.906 3.402 -9.896 1.00 0.00 WT1 H ATOM 5530 OH2 TIP3 829 -0.172 -0.759 9.985 1.00 0.00 WT1 O ATOM 5531 H1 TIP3 829 -3.442 7.159 2.961 1.00 0.00 WT1 H ATOM 5532 H2 TIP3 829 -7.116 -32.268 21.486 1.00 0.00 WT1 H ATOM 5533 OH2 TIP3 830 0.785 4.219 -5.555 1.00 0.00 WT1 O ATOM 5534 H1 TIP3 830 0.778 -3.366 0.921 1.00 0.00 WT1 H ATOM 5535 H2 TIP3 830 19.282 42.695 4.424 1.00 0.00 WT1 H ATOM 5536 OH2 TIP3 831 -0.772 1.787 1.240 1.00 0.00 WT1 O ATOM 5537 H1 TIP3 831 -13.449 -6.427 27.965 1.00 0.00 WT1 H ATOM 5538 H2 TIP3 831 5.754 -1.918 -0.041 1.00 0.00 WT1 H ATOM 5539 OH2 TIP3 832 4.083 0.575 0.623 1.00 0.00 WT1 O ATOM 5540 H1 TIP3 832 -6.154 14.316 7.704 1.00 0.00 WT1 H ATOM 5541 H2 TIP3 832 -4.336 -11.690 -3.004 1.00 0.00 WT1 H ATOM 5542 OH2 TIP3 833 -6.311 -7.661 -4.570 1.00 0.00 WT1 O ATOM 5543 H1 TIP3 833 -1.902 1.282 -12.713 1.00 0.00 WT1 H ATOM 5544 H2 TIP3 833 -6.268 -18.112 -1.058 1.00 0.00 WT1 H ATOM 5545 OH2 TIP3 834 -2.078 6.486 1.499 1.00 0.00 WT1 O ATOM 5546 H1 TIP3 834 22.614 34.399 -6.429 1.00 0.00 WT1 H ATOM 5547 H2 TIP3 834 4.180 31.394 -13.779 1.00 0.00 WT1 H ATOM 5548 OH2 TIP3 835 8.072 1.492 -3.764 1.00 0.00 WT1 O ATOM 5549 H1 TIP3 835 9.225 10.018 -1.626 1.00 0.00 WT1 H ATOM 5550 H2 TIP3 835 -8.893 -3.849 -18.639 1.00 0.00 WT1 H ATOM 5551 OH2 TIP3 836 -2.474 -2.840 2.892 1.00 0.00 WT1 O ATOM 5552 H1 TIP3 836 -8.076 -4.296 4.747 1.00 0.00 WT1 H ATOM 5553 H2 TIP3 836 -2.002 -1.497 8.471 1.00 0.00 WT1 H ATOM 5554 OH2 TIP3 837 -1.331 -4.370 -3.627 1.00 0.00 WT1 O ATOM 5555 H1 TIP3 837 2.832 -11.670 -13.266 1.00 0.00 WT1 H ATOM 5556 H2 TIP3 837 1.361 -8.580 -8.823 1.00 0.00 WT1 H ATOM 5557 OH2 TIP3 838 0.412 4.845 -3.856 1.00 0.00 WT1 O ATOM 5558 H1 TIP3 838 12.062 1.139 -1.665 1.00 0.00 WT1 H ATOM 5559 H2 TIP3 838 8.236 5.216 1.034 1.00 0.00 WT1 H ATOM 5560 OH2 TIP3 839 -1.056 2.385 -1.237 1.00 0.00 WT1 O ATOM 5561 H1 TIP3 839 -15.659 -6.329 10.086 1.00 0.00 WT1 H ATOM 5562 H2 TIP3 839 11.069 3.504 -4.571 1.00 0.00 WT1 H ATOM 5563 OH2 TIP3 840 -2.107 0.349 -2.445 1.00 0.00 WT1 O ATOM 5564 H1 TIP3 840 14.285 -12.463 -12.543 1.00 0.00 WT1 H ATOM 5565 H2 TIP3 840 2.448 6.561 -14.675 1.00 0.00 WT1 H ATOM 5566 OH2 TIP3 841 -8.229 -1.239 1.691 1.00 0.00 WT1 O ATOM 5567 H1 TIP3 841 2.181 12.955 -13.805 1.00 0.00 WT1 H ATOM 5568 H2 TIP3 841 -6.294 -8.594 -18.883 1.00 0.00 WT1 H ATOM 5569 OH2 TIP3 842 4.183 -3.878 1.260 1.00 0.00 WT1 O ATOM 5570 H1 TIP3 842 -4.314 5.040 5.861 1.00 0.00 WT1 H ATOM 5571 H2 TIP3 842 10.668 -7.617 -9.649 1.00 0.00 WT1 H ATOM 5572 OH2 TIP3 843 2.341 -5.131 -4.345 1.00 0.00 WT1 O ATOM 5573 H1 TIP3 843 10.604 4.860 -5.111 1.00 0.00 WT1 H ATOM 5574 H2 TIP3 843 3.164 -3.205 -6.313 1.00 0.00 WT1 H ATOM 5575 OH2 TIP3 844 -3.211 -3.650 -7.233 1.00 0.00 WT1 O ATOM 5576 H1 TIP3 844 6.335 -12.486 9.621 1.00 0.00 WT1 H ATOM 5577 H2 TIP3 844 14.895 8.595 3.570 1.00 0.00 WT1 H ATOM 5578 OH2 TIP3 845 -9.367 0.873 -0.052 1.00 0.00 WT1 O ATOM 5579 H1 TIP3 845 -0.539 23.320 -8.056 1.00 0.00 WT1 H ATOM 5580 H2 TIP3 845 10.157 15.701 15.343 1.00 0.00 WT1 H ATOM 5581 OH2 TIP3 846 3.903 1.925 -3.589 1.00 0.00 WT1 O ATOM 5582 H1 TIP3 846 -22.450 23.423 -32.971 1.00 0.00 WT1 H ATOM 5583 H2 TIP3 846 -12.467 -1.809 -33.246 1.00 0.00 WT1 H ATOM 5584 OH2 TIP3 847 -1.980 5.795 1.919 1.00 0.00 WT1 O ATOM 5585 H1 TIP3 847 -9.126 -0.395 1.347 1.00 0.00 WT1 H ATOM 5586 H2 TIP3 847 1.939 -9.700 -2.425 1.00 0.00 WT1 H ATOM 5587 OH2 TIP3 848 7.822 -1.935 7.052 1.00 0.00 WT1 O ATOM 5588 H1 TIP3 848 -9.303 -17.014 -2.433 1.00 0.00 WT1 H ATOM 5589 H2 TIP3 848 20.761 -4.800 10.797 1.00 0.00 WT1 H ATOM 5590 OH2 TIP3 849 -8.255 3.538 1.102 1.00 0.00 WT1 O ATOM 5591 H1 TIP3 849 8.811 9.947 -5.047 1.00 0.00 WT1 H ATOM 5592 H2 TIP3 849 0.453 -1.704 12.449 1.00 0.00 WT1 H ATOM 5593 OH2 TIP3 850 0.389 -4.090 -4.348 1.00 0.00 WT1 O ATOM 5594 H1 TIP3 850 -8.608 -6.217 -7.178 1.00 0.00 WT1 H ATOM 5595 H2 TIP3 850 8.661 -8.957 -2.543 1.00 0.00 WT1 H ATOM 5596 OH2 TIP3 851 -6.141 -1.593 6.597 1.00 0.00 WT1 O ATOM 5597 H1 TIP3 851 -17.445 4.823 13.159 1.00 0.00 WT1 H ATOM 5598 H2 TIP3 851 -3.310 11.785 21.495 1.00 0.00 WT1 H ATOM 5599 OH2 TIP3 852 -0.366 -3.184 0.875 1.00 0.00 WT1 O ATOM 5600 H1 TIP3 852 1.122 23.355 7.886 1.00 0.00 WT1 H ATOM 5601 H2 TIP3 852 -5.813 -16.885 -1.893 1.00 0.00 WT1 H ATOM 5602 OH2 TIP3 853 -7.082 -4.934 -5.946 1.00 0.00 WT1 O ATOM 5603 H1 TIP3 853 -7.110 -11.896 -5.855 1.00 0.00 WT1 H ATOM 5604 H2 TIP3 853 -6.870 -0.924 -6.334 1.00 0.00 WT1 H ATOM 5605 OH2 TIP3 854 -2.898 0.145 4.865 1.00 0.00 WT1 O ATOM 5606 H1 TIP3 854 7.028 9.640 9.595 1.00 0.00 WT1 H ATOM 5607 H2 TIP3 854 -4.078 -0.923 11.898 1.00 0.00 WT1 H ATOM 5608 OH2 TIP3 855 -4.736 6.755 6.011 1.00 0.00 WT1 O ATOM 5609 H1 TIP3 855 -3.368 14.123 -4.277 1.00 0.00 WT1 H ATOM 5610 H2 TIP3 855 1.237 8.444 6.337 1.00 0.00 WT1 H ATOM 5611 OH2 TIP3 856 2.800 -1.092 1.198 1.00 0.00 WT1 O ATOM 5612 H1 TIP3 856 3.994 1.337 1.844 1.00 0.00 WT1 H ATOM 5613 H2 TIP3 856 15.206 9.306 3.189 1.00 0.00 WT1 H ATOM 5614 OH2 TIP3 857 0.872 -3.440 3.565 1.00 0.00 WT1 O ATOM 5615 H1 TIP3 857 -15.211 -8.410 -18.903 1.00 0.00 WT1 H ATOM 5616 H2 TIP3 857 0.610 -14.155 9.726 1.00 0.00 WT1 H ATOM 5617 OH2 TIP3 858 -0.670 0.181 -1.868 1.00 0.00 WT1 O ATOM 5618 H1 TIP3 858 -3.038 4.048 -0.878 1.00 0.00 WT1 H ATOM 5619 H2 TIP3 858 -3.547 -6.816 -6.584 1.00 0.00 WT1 H ATOM 5620 OH2 TIP3 859 3.556 -0.911 3.873 1.00 0.00 WT1 O ATOM 5621 H1 TIP3 859 12.137 2.709 4.883 1.00 0.00 WT1 H ATOM 5622 H2 TIP3 859 -10.600 -2.698 7.436 1.00 0.00 WT1 H ATOM 5623 OH2 TIP3 860 -0.957 -0.058 -0.847 1.00 0.00 WT1 O ATOM 5624 H1 TIP3 860 -10.893 5.420 11.420 1.00 0.00 WT1 H ATOM 5625 H2 TIP3 860 -3.298 -12.760 -0.573 1.00 0.00 WT1 H ATOM 5626 OH2 TIP3 861 0.109 -3.659 3.304 1.00 0.00 WT1 O ATOM 5627 H1 TIP3 861 -5.489 -7.196 7.101 1.00 0.00 WT1 H ATOM 5628 H2 TIP3 861 22.406 16.853 19.531 1.00 0.00 WT1 H ATOM 5629 OH2 TIP3 862 -2.369 -3.273 -3.041 1.00 0.00 WT1 O ATOM 5630 H1 TIP3 862 -0.242 -1.841 5.757 1.00 0.00 WT1 H ATOM 5631 H2 TIP3 862 -8.868 -8.261 -8.546 1.00 0.00 WT1 H ATOM 5632 OH2 TIP3 863 -4.704 4.983 6.908 1.00 0.00 WT1 O ATOM 5633 H1 TIP3 863 -3.255 -6.242 17.220 1.00 0.00 WT1 H ATOM 5634 H2 TIP3 863 -17.877 1.636 6.962 1.00 0.00 WT1 H ATOM 5635 OH2 TIP3 864 5.315 3.832 -9.278 1.00 0.00 WT1 O ATOM 5636 H1 TIP3 864 -13.114 -4.582 -36.154 1.00 0.00 WT1 H ATOM 5637 H2 TIP3 864 -1.853 -3.020 -14.052 1.00 0.00 WT1 H ATOM 5638 OH2 TIP3 865 -2.263 -6.500 -2.755 1.00 0.00 WT1 O ATOM 5639 H1 TIP3 865 14.160 -2.891 -22.537 1.00 0.00 WT1 H ATOM 5640 H2 TIP3 865 -4.309 -25.170 -4.224 1.00 0.00 WT1 H ATOM 5641 OH2 TIP3 866 -1.812 -1.575 0.555 1.00 0.00 WT1 O ATOM 5642 H1 TIP3 866 2.165 -9.144 3.356 1.00 0.00 WT1 H ATOM 5643 H2 TIP3 866 6.570 -12.828 9.403 1.00 0.00 WT1 H ATOM 5644 OH2 TIP3 867 3.305 3.069 -6.469 1.00 0.00 WT1 O ATOM 5645 H1 TIP3 867 -0.850 -22.806 5.988 1.00 0.00 WT1 H ATOM 5646 H2 TIP3 867 2.687 8.294 -7.898 1.00 0.00 WT1 H ATOM 5647 OH2 TIP3 869 -6.518 2.585 0.551 1.00 0.00 WT1 O ATOM 5648 H1 TIP3 869 3.985 -0.544 21.065 1.00 0.00 WT1 H ATOM 5649 H2 TIP3 869 10.541 -2.990 31.848 1.00 0.00 WT1 H ATOM 5650 OH2 TIP3 870 0.321 -4.619 1.170 1.00 0.00 WT1 O ATOM 5651 H1 TIP3 870 -12.383 1.993 22.129 1.00 0.00 WT1 H ATOM 5652 H2 TIP3 870 6.985 -9.743 4.478 1.00 0.00 WT1 H ATOM 5653 OH2 TIP3 871 3.781 -0.587 2.963 1.00 0.00 WT1 O ATOM 5654 H1 TIP3 871 1.828 -1.885 -2.711 1.00 0.00 WT1 H ATOM 5655 H2 TIP3 871 8.335 -7.723 3.579 1.00 0.00 WT1 H ATOM 5656 OH2 TIP3 872 2.703 0.609 -0.477 1.00 0.00 WT1 O ATOM 5657 H1 TIP3 872 -0.755 -13.460 -11.296 1.00 0.00 WT1 H ATOM 5658 H2 TIP3 872 8.975 13.951 -11.512 1.00 0.00 WT1 H ATOM 5659 OH2 TIP3 873 -1.344 1.644 5.104 1.00 0.00 WT1 O ATOM 5660 H1 TIP3 873 13.556 -37.121 27.334 1.00 0.00 WT1 H ATOM 5661 H2 TIP3 873 -12.584 -8.983 -1.543 1.00 0.00 WT1 H ATOM 5662 OH2 TIP3 874 1.926 -2.572 -1.760 1.00 0.00 WT1 O ATOM 5663 H1 TIP3 874 5.465 -14.554 2.942 1.00 0.00 WT1 H ATOM 5664 H2 TIP3 874 12.145 -25.688 6.328 1.00 0.00 WT1 H ATOM 5665 OH2 TIP3 875 1.340 7.156 7.026 1.00 0.00 WT1 O ATOM 5666 H1 TIP3 875 -23.204 14.931 -5.161 1.00 0.00 WT1 H ATOM 5667 H2 TIP3 875 3.889 -23.866 -9.498 1.00 0.00 WT1 H ATOM 5668 OH2 TIP3 876 2.858 5.574 4.577 1.00 0.00 WT1 O ATOM 5669 H1 TIP3 876 -6.720 -4.967 14.922 1.00 0.00 WT1 H ATOM 5670 H2 TIP3 876 8.952 8.966 0.699 1.00 0.00 WT1 H ATOM 5671 OH2 TIP3 877 2.426 2.020 4.004 1.00 0.00 WT1 O ATOM 5672 H1 TIP3 877 -20.806 -6.100 9.332 1.00 0.00 WT1 H ATOM 5673 H2 TIP3 877 24.098 -6.680 -10.785 1.00 0.00 WT1 H ATOM 5674 OH2 TIP3 878 3.851 1.324 0.197 1.00 0.00 WT1 O ATOM 5675 H1 TIP3 878 -7.660 -2.820 -5.586 1.00 0.00 WT1 H ATOM 5676 H2 TIP3 878 -21.352 2.899 0.091 1.00 0.00 WT1 H ATOM 5677 OH2 TIP3 880 2.214 3.491 4.596 1.00 0.00 WT1 O ATOM 5678 H1 TIP3 880 11.011 4.316 6.776 1.00 0.00 WT1 H ATOM 5679 H2 TIP3 880 -0.973 14.393 6.920 1.00 0.00 WT1 H ATOM 5680 OH2 TIP3 881 -1.533 -0.754 -4.469 1.00 0.00 WT1 O ATOM 5681 H1 TIP3 881 41.041 11.311 14.401 1.00 0.00 WT1 H ATOM 5682 H2 TIP3 881 1.223 11.429 -35.129 1.00 0.00 WT1 H ATOM 5683 OH2 TIP3 883 2.706 1.120 -7.338 1.00 0.00 WT1 O ATOM 5684 H1 TIP3 883 2.228 2.230 -8.740 1.00 0.00 WT1 H ATOM 5685 H2 TIP3 883 3.675 2.557 -22.323 1.00 0.00 WT1 H ATOM 5686 OH2 TIP3 884 1.859 -1.468 -4.406 1.00 0.00 WT1 O ATOM 5687 H1 TIP3 884 -3.481 10.371 2.002 1.00 0.00 WT1 H ATOM 5688 H2 TIP3 884 -7.033 12.372 -3.040 1.00 0.00 WT1 H ATOM 5689 OH2 TIP3 885 -0.006 -3.967 -4.273 1.00 0.00 WT1 O ATOM 5690 H1 TIP3 885 -27.502 36.682 -33.224 1.00 0.00 WT1 H ATOM 5691 H2 TIP3 885 12.968 -30.128 -5.001 1.00 0.00 WT1 H ATOM 5692 OH2 TIP3 886 -1.588 1.404 -1.286 1.00 0.00 WT1 O ATOM 5693 H1 TIP3 886 11.654 2.010 -3.522 1.00 0.00 WT1 H ATOM 5694 H2 TIP3 886 -11.405 -5.405 -3.613 1.00 0.00 WT1 H ATOM 5695 OH2 TIP3 887 3.247 4.654 -1.540 1.00 0.00 WT1 O ATOM 5696 H1 TIP3 887 0.021 -11.391 5.791 1.00 0.00 WT1 H ATOM 5697 H2 TIP3 887 18.971 -19.955 -24.778 1.00 0.00 WT1 H ATOM 5698 OH2 TIP3 889 -0.082 4.385 -2.940 1.00 0.00 WT1 O ATOM 5699 H1 TIP3 889 -14.424 -10.935 -3.618 1.00 0.00 WT1 H ATOM 5700 H2 TIP3 889 6.010 6.912 -12.695 1.00 0.00 WT1 H ATOM 5701 OH2 TIP3 890 9.130 -1.757 2.811 1.00 0.00 WT1 O ATOM 5702 H1 TIP3 890 -1.375 4.609 -15.878 1.00 0.00 WT1 H ATOM 5703 H2 TIP3 890 -13.931 -6.956 -10.141 1.00 0.00 WT1 H ATOM 5704 OH2 TIP3 891 6.952 9.081 -1.070 1.00 0.00 WT1 O ATOM 5705 H1 TIP3 891 -7.192 3.318 12.704 1.00 0.00 WT1 H ATOM 5706 H2 TIP3 891 -4.178 11.701 16.481 1.00 0.00 WT1 H ATOM 5707 OH2 TIP3 893 -0.092 3.067 6.076 1.00 0.00 WT1 O ATOM 5708 H1 TIP3 893 -1.608 -0.186 9.625 1.00 0.00 WT1 H ATOM 5709 H2 TIP3 893 5.317 4.535 2.292 1.00 0.00 WT1 H ATOM 5710 OH2 TIP3 894 3.289 3.215 -5.617 1.00 0.00 WT1 O ATOM 5711 H1 TIP3 894 -14.939 -7.180 -15.543 1.00 0.00 WT1 H ATOM 5712 H2 TIP3 894 1.217 26.370 -16.116 1.00 0.00 WT1 H ATOM 5713 OH2 TIP3 895 -6.374 -3.668 6.461 1.00 0.00 WT1 O ATOM 5714 H1 TIP3 895 0.348 -5.678 13.954 1.00 0.00 WT1 H ATOM 5715 H2 TIP3 895 23.577 -20.826 8.917 1.00 0.00 WT1 H ATOM 5716 OH2 TIP3 896 -1.478 -6.913 0.667 1.00 0.00 WT1 O ATOM 5717 H1 TIP3 896 -12.139 -6.699 3.260 1.00 0.00 WT1 H ATOM 5718 H2 TIP3 896 22.537 18.088 10.127 1.00 0.00 WT1 H ATOM 5719 OH2 TIP3 897 -1.160 -4.307 2.488 1.00 0.00 WT1 O ATOM 5720 H1 TIP3 897 6.148 -10.397 22.173 1.00 0.00 WT1 H ATOM 5721 H2 TIP3 897 -16.389 -8.121 8.519 1.00 0.00 WT1 H ATOM 5722 OH2 TIP3 898 1.454 1.135 3.815 1.00 0.00 WT1 O ATOM 5723 H1 TIP3 898 2.425 -3.370 6.995 1.00 0.00 WT1 H ATOM 5724 H2 TIP3 898 6.233 -13.405 -20.969 1.00 0.00 WT1 H ATOM 5725 OH2 TIP3 899 7.496 -1.379 -2.255 1.00 0.00 WT1 O ATOM 5726 H1 TIP3 899 -0.316 3.484 3.548 1.00 0.00 WT1 H ATOM 5727 H2 TIP3 899 -4.374 4.435 6.415 1.00 0.00 WT1 H ATOM 5728 OH2 TIP3 900 -0.070 -1.529 6.038 1.00 0.00 WT1 O ATOM 5729 H1 TIP3 900 1.299 -9.211 -4.989 1.00 0.00 WT1 H ATOM 5730 H2 TIP3 900 0.406 -0.674 -2.992 1.00 0.00 WT1 H ATOM 5731 OH2 TIP3 901 -2.781 0.328 -1.419 1.00 0.00 WT1 O ATOM 5732 H1 TIP3 901 -4.041 2.915 -0.800 1.00 0.00 WT1 H ATOM 5733 H2 TIP3 901 3.703 11.483 0.894 1.00 0.00 WT1 H ATOM 5734 OH2 TIP3 902 -4.021 -0.867 0.607 1.00 0.00 WT1 O ATOM 5735 H1 TIP3 902 8.451 -15.692 -16.351 1.00 0.00 WT1 H ATOM 5736 H2 TIP3 902 -11.782 -11.985 0.208 1.00 0.00 WT1 H ATOM 5737 OH2 TIP3 903 2.919 2.912 3.153 1.00 0.00 WT1 O ATOM 5738 H1 TIP3 903 19.173 -0.380 6.640 1.00 0.00 WT1 H ATOM 5739 H2 TIP3 903 2.883 -16.784 -12.279 1.00 0.00 WT1 H ATOM 5740 OH2 TIP3 904 0.883 -1.852 4.104 1.00 0.00 WT1 O ATOM 5741 H1 TIP3 904 1.788 11.312 28.636 1.00 0.00 WT1 H ATOM 5742 H2 TIP3 904 -9.657 -11.491 -20.464 1.00 0.00 WT1 H ATOM 5743 OH2 TIP3 905 -4.199 -1.183 0.654 1.00 0.00 WT1 O ATOM 5744 H1 TIP3 905 -12.630 -0.732 -11.794 1.00 0.00 WT1 H ATOM 5745 H2 TIP3 905 4.672 -11.818 15.705 1.00 0.00 WT1 H ATOM 5746 OH2 TIP3 906 2.216 -3.805 1.025 1.00 0.00 WT1 O ATOM 5747 H1 TIP3 906 3.716 -10.277 6.515 1.00 0.00 WT1 H ATOM 5748 H2 TIP3 906 -6.850 -0.647 9.172 1.00 0.00 WT1 H ATOM 5749 OH2 TIP3 907 4.635 4.989 -1.099 1.00 0.00 WT1 O ATOM 5750 H1 TIP3 907 24.854 -1.303 -6.563 1.00 0.00 WT1 H ATOM 5751 H2 TIP3 907 -25.817 23.536 -2.771 1.00 0.00 WT1 H ATOM 5752 OH2 TIP3 908 3.763 -3.208 -0.869 1.00 0.00 WT1 O ATOM 5753 H1 TIP3 908 7.682 3.161 -0.656 1.00 0.00 WT1 H ATOM 5754 H2 TIP3 908 -4.617 8.272 11.037 1.00 0.00 WT1 H ATOM 5755 OH2 TIP3 909 1.092 -1.999 1.816 1.00 0.00 WT1 O ATOM 5756 H1 TIP3 909 1.722 -4.605 8.047 1.00 0.00 WT1 H ATOM 5757 H2 TIP3 909 11.672 -25.207 0.563 1.00 0.00 WT1 H ATOM 5758 OH2 TIP3 910 0.438 0.513 -0.746 1.00 0.00 WT1 O ATOM 5759 H1 TIP3 910 4.204 -0.633 -14.412 1.00 0.00 WT1 H ATOM 5760 H2 TIP3 910 5.067 3.487 6.197 1.00 0.00 WT1 H ATOM 5761 OH2 TIP3 911 5.670 2.817 4.343 1.00 0.00 WT1 O ATOM 5762 H1 TIP3 911 -13.096 -6.410 20.105 1.00 0.00 WT1 H ATOM 5763 H2 TIP3 911 2.183 -9.923 -14.386 1.00 0.00 WT1 H ATOM 5764 OH2 TIP3 912 3.969 1.041 3.360 1.00 0.00 WT1 O ATOM 5765 H1 TIP3 912 -19.441 5.233 -14.768 1.00 0.00 WT1 H ATOM 5766 H2 TIP3 912 7.674 -0.185 6.221 1.00 0.00 WT1 H ATOM 5767 OH2 TIP3 913 0.760 -0.797 -3.954 1.00 0.00 WT1 O ATOM 5768 H1 TIP3 913 12.501 0.435 -25.717 1.00 0.00 WT1 H ATOM 5769 H2 TIP3 913 -21.267 -14.912 10.868 1.00 0.00 WT1 H ATOM 5770 OH2 TIP3 914 -7.691 8.312 -3.123 1.00 0.00 WT1 O ATOM 5771 H1 TIP3 914 -15.001 12.622 6.019 1.00 0.00 WT1 H ATOM 5772 H2 TIP3 914 -2.221 9.964 -5.723 1.00 0.00 WT1 H ATOM 5773 OH2 TIP3 915 3.711 8.692 6.121 1.00 0.00 WT1 O ATOM 5774 H1 TIP3 915 7.426 -5.207 23.728 1.00 0.00 WT1 H ATOM 5775 H2 TIP3 915 11.395 21.709 11.927 1.00 0.00 WT1 H ATOM 5776 OH2 TIP3 916 9.416 -0.073 -8.589 1.00 0.00 WT1 O ATOM 5777 H1 TIP3 916 11.561 10.575 23.866 1.00 0.00 WT1 H ATOM 5778 H2 TIP3 916 9.900 -1.335 -17.644 1.00 0.00 WT1 H ATOM 5779 OH2 TIP3 917 -2.258 -7.960 4.298 1.00 0.00 WT1 O ATOM 5780 H1 TIP3 917 3.726 -0.189 7.070 1.00 0.00 WT1 H ATOM 5781 H2 TIP3 917 2.616 20.973 -18.701 1.00 0.00 WT1 H ATOM 5782 OH2 TIP3 918 -6.459 -3.249 -1.944 1.00 0.00 WT1 O ATOM 5783 H1 TIP3 918 30.159 5.689 -8.304 1.00 0.00 WT1 H ATOM 5784 H2 TIP3 918 14.238 4.559 -22.519 1.00 0.00 WT1 H ATOM 5785 OH2 TIP3 919 8.578 -5.998 -1.013 1.00 0.00 WT1 O ATOM 5786 H1 TIP3 919 15.426 -6.649 -1.946 1.00 0.00 WT1 H ATOM 5787 H2 TIP3 919 -3.117 -6.265 11.354 1.00 0.00 WT1 H ATOM 5788 OH2 TIP3 921 0.066 5.262 0.499 1.00 0.00 WT1 O ATOM 5789 H1 TIP3 921 2.006 3.249 -19.064 1.00 0.00 WT1 H ATOM 5790 H2 TIP3 921 -3.310 2.397 -22.406 1.00 0.00 WT1 H ATOM 5791 OH2 TIP3 922 -9.798 1.197 4.380 1.00 0.00 WT1 O ATOM 5792 H1 TIP3 922 -8.748 -5.767 -7.098 1.00 0.00 WT1 H ATOM 5793 H2 TIP3 922 -14.876 2.048 11.615 1.00 0.00 WT1 H ATOM 5794 OH2 TIP3 923 5.836 1.776 0.588 1.00 0.00 WT1 O ATOM 5795 H1 TIP3 923 9.970 -18.171 -6.284 1.00 0.00 WT1 H ATOM 5796 H2 TIP3 923 26.902 -4.842 9.836 1.00 0.00 WT1 H ATOM 5797 OH2 TIP3 924 4.931 -2.443 3.455 1.00 0.00 WT1 O ATOM 5798 H1 TIP3 924 1.882 -20.632 0.485 1.00 0.00 WT1 H ATOM 5799 H2 TIP3 924 -13.261 3.682 8.294 1.00 0.00 WT1 H ATOM 5800 OH2 TIP3 925 -0.641 1.252 -0.179 1.00 0.00 WT1 O ATOM 5801 H1 TIP3 925 -34.851 15.412 7.948 1.00 0.00 WT1 H ATOM 5802 H2 TIP3 925 26.503 3.209 4.098 1.00 0.00 WT1 H ATOM 5803 OH2 TIP3 926 2.072 6.411 -0.518 1.00 0.00 WT1 O ATOM 5804 H1 TIP3 926 -10.631 -1.742 -3.377 1.00 0.00 WT1 H ATOM 5805 H2 TIP3 926 1.604 0.315 -19.492 1.00 0.00 WT1 H ATOM 5806 OH2 TIP3 927 -6.390 4.106 2.888 1.00 0.00 WT1 O ATOM 5807 H1 TIP3 927 -7.424 15.599 -24.571 1.00 0.00 WT1 H ATOM 5808 H2 TIP3 927 -17.784 0.898 6.449 1.00 0.00 WT1 H ATOM 5809 OH2 TIP3 928 -1.675 0.921 6.379 1.00 0.00 WT1 O ATOM 5810 H1 TIP3 928 2.604 2.809 1.352 1.00 0.00 WT1 H ATOM 5811 H2 TIP3 928 -15.978 14.007 2.604 1.00 0.00 WT1 H ATOM 5812 OH2 TIP3 929 -1.603 2.283 2.002 1.00 0.00 WT1 O ATOM 5813 H1 TIP3 929 -11.336 7.529 0.652 1.00 0.00 WT1 H ATOM 5814 H2 TIP3 929 -2.234 -7.440 -3.134 1.00 0.00 WT1 H ATOM 5815 OH2 TIP3 930 -0.740 -0.883 -0.130 1.00 0.00 WT1 O ATOM 5816 H1 TIP3 930 -1.751 -8.299 -1.728 1.00 0.00 WT1 H ATOM 5817 H2 TIP3 930 -18.223 -11.252 -2.154 1.00 0.00 WT1 H ATOM 5818 OH2 TIP3 931 4.359 -0.078 -0.118 1.00 0.00 WT1 O ATOM 5819 H1 TIP3 931 5.377 -1.768 -2.878 1.00 0.00 WT1 H ATOM 5820 H2 TIP3 931 12.215 -5.275 6.012 1.00 0.00 WT1 H ATOM 5821 OH2 TIP3 932 -3.041 -1.989 2.283 1.00 0.00 WT1 O ATOM 5822 H1 TIP3 932 -4.747 -8.095 3.164 1.00 0.00 WT1 H ATOM 5823 H2 TIP3 932 -11.222 0.934 -2.196 1.00 0.00 WT1 H ATOM 5824 OH2 TIP3 933 2.824 0.091 -5.154 1.00 0.00 WT1 O ATOM 5825 H1 TIP3 933 -9.604 2.736 -21.662 1.00 0.00 WT1 H ATOM 5826 H2 TIP3 933 -6.173 -7.936 -28.584 1.00 0.00 WT1 H ATOM 5827 OH2 TIP3 934 2.358 0.362 1.522 1.00 0.00 WT1 O ATOM 5828 H1 TIP3 934 -12.750 -2.986 11.958 1.00 0.00 WT1 H ATOM 5829 H2 TIP3 934 3.028 -14.297 -9.801 1.00 0.00 WT1 H ATOM 5830 OH2 TIP3 935 -0.987 1.280 5.256 1.00 0.00 WT1 O ATOM 5831 H1 TIP3 935 23.639 5.328 -5.206 1.00 0.00 WT1 H ATOM 5832 H2 TIP3 935 -17.879 10.335 32.164 1.00 0.00 WT1 H ATOM 5833 OH2 TIP3 936 3.188 -2.430 -5.364 1.00 0.00 WT1 O ATOM 5834 H1 TIP3 936 15.064 -3.094 1.527 1.00 0.00 WT1 H ATOM 5835 H2 TIP3 936 -24.208 15.995 16.301 1.00 0.00 WT1 H ATOM 5836 OH2 TIP3 937 4.482 -0.781 6.060 1.00 0.00 WT1 O ATOM 5837 H1 TIP3 937 12.251 16.590 -32.549 1.00 0.00 WT1 H ATOM 5838 H2 TIP3 937 6.136 8.815 -11.339 1.00 0.00 WT1 H ATOM 5839 OH2 TIP3 938 1.247 8.962 -4.893 1.00 0.00 WT1 O ATOM 5840 H1 TIP3 938 7.250 -6.549 -0.817 1.00 0.00 WT1 H ATOM 5841 H2 TIP3 938 -14.993 3.866 -10.115 1.00 0.00 WT1 H ATOM 5842 OH2 TIP3 939 -5.168 -3.581 3.896 1.00 0.00 WT1 O ATOM 5843 H1 TIP3 939 -4.213 -11.284 12.179 1.00 0.00 WT1 H ATOM 5844 H2 TIP3 939 2.191 -5.414 16.762 1.00 0.00 WT1 H ATOM 5845 OH2 TIP3 940 1.367 1.258 0.254 1.00 0.00 WT1 O ATOM 5846 H1 TIP3 940 4.769 -12.027 -11.550 1.00 0.00 WT1 H ATOM 5847 H2 TIP3 940 -3.748 23.291 3.887 1.00 0.00 WT1 H ATOM 5848 OH2 TIP3 941 3.896 -2.041 2.483 1.00 0.00 WT1 O ATOM 5849 H1 TIP3 941 6.406 6.962 5.724 1.00 0.00 WT1 H ATOM 5850 H2 TIP3 941 -7.410 -29.114 -12.657 1.00 0.00 WT1 H ATOM 5851 OH2 TIP3 942 2.294 5.138 1.201 1.00 0.00 WT1 O ATOM 5852 H1 TIP3 942 16.805 1.540 -21.257 1.00 0.00 WT1 H ATOM 5853 H2 TIP3 942 27.264 -10.881 15.192 1.00 0.00 WT1 H ATOM 5854 OH2 TIP3 943 -0.530 -2.398 1.942 1.00 0.00 WT1 O ATOM 5855 H1 TIP3 943 -14.573 -8.136 22.314 1.00 0.00 WT1 H ATOM 5856 H2 TIP3 943 10.336 -6.410 -2.592 1.00 0.00 WT1 H ATOM 5857 OH2 TIP3 944 -1.275 -0.479 -0.430 1.00 0.00 WT1 O ATOM 5858 H1 TIP3 944 0.258 -0.697 -6.517 1.00 0.00 WT1 H ATOM 5859 H2 TIP3 944 -11.631 -2.678 16.088 1.00 0.00 WT1 H ATOM 5860 OH2 TIP3 945 2.103 2.879 0.347 1.00 0.00 WT1 O ATOM 5861 H1 TIP3 945 -13.513 -5.499 -4.969 1.00 0.00 WT1 H ATOM 5862 H2 TIP3 945 12.112 -27.317 13.541 1.00 0.00 WT1 H ATOM 5863 OH2 TIP3 946 6.493 7.415 0.201 1.00 0.00 WT1 O ATOM 5864 H1 TIP3 946 3.293 16.516 8.241 1.00 0.00 WT1 H ATOM 5865 H2 TIP3 946 5.893 -4.540 -18.382 1.00 0.00 WT1 H ATOM 5866 OH2 TIP3 947 3.571 -5.270 -5.279 1.00 0.00 WT1 O ATOM 5867 H1 TIP3 947 16.823 10.136 10.810 1.00 0.00 WT1 H ATOM 5868 H2 TIP3 947 22.057 6.914 6.207 1.00 0.00 WT1 H ATOM 5869 OH2 TIP3 948 -3.904 1.376 3.594 1.00 0.00 WT1 O ATOM 5870 H1 TIP3 948 -11.327 -1.752 0.150 1.00 0.00 WT1 H ATOM 5871 H2 TIP3 948 -0.174 -6.924 3.344 1.00 0.00 WT1 H ATOM 5872 OH2 TIP3 949 3.839 4.221 -0.265 1.00 0.00 WT1 O ATOM 5873 H1 TIP3 949 12.095 0.536 -7.018 1.00 0.00 WT1 H ATOM 5874 H2 TIP3 949 -24.485 -7.288 18.538 1.00 0.00 WT1 H ATOM 5875 OH2 TIP3 950 -3.213 0.094 -1.138 1.00 0.00 WT1 O ATOM 5876 H1 TIP3 950 10.076 -20.185 11.396 1.00 0.00 WT1 H ATOM 5877 H2 TIP3 950 17.396 20.180 -15.454 1.00 0.00 WT1 H ATOM 5878 OH2 TIP3 951 -2.072 -0.649 5.583 1.00 0.00 WT1 O ATOM 5879 H1 TIP3 951 -10.889 10.662 -5.234 1.00 0.00 WT1 H ATOM 5880 H2 TIP3 951 17.129 -8.112 6.455 1.00 0.00 WT1 H ATOM 5881 OH2 TIP3 952 7.323 -7.097 7.466 1.00 0.00 WT1 O ATOM 5882 H1 TIP3 952 -0.156 14.545 -8.265 1.00 0.00 WT1 H ATOM 5883 H2 TIP3 952 1.074 6.183 1.438 1.00 0.00 WT1 H ATOM 5884 OH2 TIP3 953 1.707 -2.672 5.835 1.00 0.00 WT1 O ATOM 5885 H1 TIP3 953 1.501 6.486 3.440 1.00 0.00 WT1 H ATOM 5886 H2 TIP3 953 11.166 -2.806 -4.617 1.00 0.00 WT1 H ATOM 5887 OH2 TIP3 954 3.394 0.789 4.152 1.00 0.00 WT1 O ATOM 5888 H1 TIP3 954 -8.218 26.874 22.030 1.00 0.00 WT1 H ATOM 5889 H2 TIP3 954 -12.549 -5.367 -22.828 1.00 0.00 WT1 H ATOM 5890 OH2 TIP3 955 3.843 0.487 1.919 1.00 0.00 WT1 O ATOM 5891 H1 TIP3 955 2.690 11.726 -2.533 1.00 0.00 WT1 H ATOM 5892 H2 TIP3 955 14.040 11.376 14.330 1.00 0.00 WT1 H ATOM 5893 OH2 TIP3 956 1.335 -0.036 1.912 1.00 0.00 WT1 O ATOM 5894 H1 TIP3 956 -3.568 -7.612 7.041 1.00 0.00 WT1 H ATOM 5895 H2 TIP3 956 21.764 22.518 6.120 1.00 0.00 WT1 H ATOM 5896 OH2 TIP3 957 -1.403 -7.980 1.326 1.00 0.00 WT1 O ATOM 5897 H1 TIP3 957 -4.144 -0.304 27.393 1.00 0.00 WT1 H ATOM 5898 H2 TIP3 957 -1.907 -7.883 6.611 1.00 0.00 WT1 H ATOM 5899 OH2 TIP3 958 -3.803 -9.267 1.045 1.00 0.00 WT1 O ATOM 5900 H1 TIP3 958 0.807 3.035 0.445 1.00 0.00 WT1 H ATOM 5901 H2 TIP3 958 -5.204 -11.438 1.200 1.00 0.00 WT1 H ATOM 5902 OH2 TIP3 959 2.064 -2.517 -8.345 1.00 0.00 WT1 O ATOM 5903 H1 TIP3 959 9.751 -18.426 23.956 1.00 0.00 WT1 H ATOM 5904 H2 TIP3 959 1.616 18.555 11.327 1.00 0.00 WT1 H ATOM 5905 OH2 TIP3 960 7.909 2.770 3.796 1.00 0.00 WT1 O ATOM 5906 H1 TIP3 960 23.349 -5.956 23.133 1.00 0.00 WT1 H ATOM 5907 H2 TIP3 960 -12.913 25.464 -8.246 1.00 0.00 WT1 H ATOM 5908 OH2 TIP3 961 0.576 -5.732 -5.034 1.00 0.00 WT1 O ATOM 5909 H1 TIP3 961 2.444 -5.812 -3.770 1.00 0.00 WT1 H ATOM 5910 H2 TIP3 961 -2.919 -4.320 2.761 1.00 0.00 WT1 H ATOM 5911 OH2 TIP3 962 -2.397 1.173 4.909 1.00 0.00 WT1 O ATOM 5912 H1 TIP3 962 2.216 -2.123 -5.203 1.00 0.00 WT1 H ATOM 5913 H2 TIP3 962 -0.836 0.987 0.233 1.00 0.00 WT1 H ATOM 5914 OH2 TIP3 963 -1.263 0.110 4.392 1.00 0.00 WT1 O ATOM 5915 H1 TIP3 963 0.449 -0.818 3.495 1.00 0.00 WT1 H ATOM 5916 H2 TIP3 963 -20.481 11.965 2.511 1.00 0.00 WT1 H ATOM 5917 OH2 TIP3 964 -4.103 -6.219 -2.767 1.00 0.00 WT1 O ATOM 5918 H1 TIP3 964 -10.236 -9.128 9.280 1.00 0.00 WT1 H ATOM 5919 H2 TIP3 964 -18.351 -19.532 13.726 1.00 0.00 WT1 H ATOM 5920 OH2 TIP3 965 -2.598 6.267 2.815 1.00 0.00 WT1 O ATOM 5921 H1 TIP3 965 -10.810 17.542 20.657 1.00 0.00 WT1 H ATOM 5922 H2 TIP3 965 -15.287 -7.238 2.627 1.00 0.00 WT1 H ATOM 5923 OH2 TIP3 966 1.655 -4.949 4.401 1.00 0.00 WT1 O ATOM 5924 H1 TIP3 966 -20.456 -29.801 -4.408 1.00 0.00 WT1 H ATOM 5925 H2 TIP3 966 23.329 15.842 14.178 1.00 0.00 WT1 H ATOM 5926 OH2 TIP3 967 -5.944 3.691 7.027 1.00 0.00 WT1 O ATOM 5927 H1 TIP3 967 -5.559 6.029 -6.004 1.00 0.00 WT1 H ATOM 5928 H2 TIP3 967 0.910 10.337 -4.499 1.00 0.00 WT1 H ATOM 5929 OH2 TIP3 968 1.650 1.204 -2.549 1.00 0.00 WT1 O ATOM 5930 H1 TIP3 968 1.094 5.367 -28.191 1.00 0.00 WT1 H ATOM 5931 H2 TIP3 968 2.928 0.378 3.577 1.00 0.00 WT1 H ATOM 5932 OH2 TIP3 969 -0.943 0.913 3.558 1.00 0.00 WT1 O ATOM 5933 H1 TIP3 969 -4.006 -4.819 0.785 1.00 0.00 WT1 H ATOM 5934 H2 TIP3 969 0.299 2.049 -1.755 1.00 0.00 WT1 H ATOM 5935 OH2 TIP3 970 -0.943 -4.205 -0.901 1.00 0.00 WT1 O ATOM 5936 H1 TIP3 970 -10.891 -7.837 10.038 1.00 0.00 WT1 H ATOM 5937 H2 TIP3 970 -11.207 18.324 -12.351 1.00 0.00 WT1 H ATOM 5938 OH2 TIP3 971 -0.901 4.245 -3.907 1.00 0.00 WT1 O ATOM 5939 H1 TIP3 971 2.974 9.525 -2.090 1.00 0.00 WT1 H ATOM 5940 H2 TIP3 971 -14.808 3.004 25.895 1.00 0.00 WT1 H ATOM 5941 OH2 TIP3 972 -3.564 2.207 0.054 1.00 0.00 WT1 O ATOM 5942 H1 TIP3 972 1.940 -12.057 13.825 1.00 0.00 WT1 H ATOM 5943 H2 TIP3 972 -25.762 9.020 -21.204 1.00 0.00 WT1 H ATOM 5944 OH2 TIP3 973 4.796 4.993 4.148 1.00 0.00 WT1 O ATOM 5945 H1 TIP3 973 0.146 -5.128 5.006 1.00 0.00 WT1 H ATOM 5946 H2 TIP3 973 14.916 1.720 10.239 1.00 0.00 WT1 H ATOM 5947 OH2 TIP3 974 0.210 -4.927 3.242 1.00 0.00 WT1 O ATOM 5948 H1 TIP3 974 6.044 -13.164 16.612 1.00 0.00 WT1 H ATOM 5949 H2 TIP3 974 -17.951 -3.661 -16.829 1.00 0.00 WT1 H ATOM 5950 OH2 TIP3 975 0.854 -10.290 -0.797 1.00 0.00 WT1 O ATOM 5951 H1 TIP3 975 -0.376 -23.625 -7.133 1.00 0.00 WT1 H ATOM 5952 H2 TIP3 975 -3.907 4.661 16.555 1.00 0.00 WT1 H ATOM 5953 OH2 TIP3 976 -1.205 -0.146 2.917 1.00 0.00 WT1 O ATOM 5954 H1 TIP3 976 -10.323 -18.181 -9.406 1.00 0.00 WT1 H ATOM 5955 H2 TIP3 976 -5.454 -18.510 -17.423 1.00 0.00 WT1 H ATOM 5956 OH2 TIP3 977 -1.663 2.579 -5.173 1.00 0.00 WT1 O ATOM 5957 H1 TIP3 977 11.593 9.413 7.267 1.00 0.00 WT1 H ATOM 5958 H2 TIP3 977 5.117 6.245 1.645 1.00 0.00 WT1 H ATOM 5959 OH2 TIP3 978 4.543 2.890 -0.515 1.00 0.00 WT1 O ATOM 5960 H1 TIP3 978 11.367 0.461 18.501 1.00 0.00 WT1 H ATOM 5961 H2 TIP3 978 6.679 4.403 19.031 1.00 0.00 WT1 H ATOM 5962 OH2 TIP3 979 -2.736 3.243 4.401 1.00 0.00 WT1 O ATOM 5963 H1 TIP3 979 12.009 6.728 -5.124 1.00 0.00 WT1 H ATOM 5964 H2 TIP3 979 -3.758 3.450 -12.637 1.00 0.00 WT1 H ATOM 5965 OH2 TIP3 980 0.995 0.103 0.750 1.00 0.00 WT1 O ATOM 5966 H1 TIP3 980 -11.398 -2.966 -16.022 1.00 0.00 WT1 H ATOM 5967 H2 TIP3 980 0.692 4.713 4.291 1.00 0.00 WT1 H ATOM 5968 OH2 TIP3 982 3.219 9.462 -3.053 1.00 0.00 WT1 O ATOM 5969 H1 TIP3 982 -16.521 -5.141 -1.136 1.00 0.00 WT1 H ATOM 5970 H2 TIP3 982 -19.047 -10.730 0.600 1.00 0.00 WT1 H ATOM 5971 OH2 TIP3 983 -3.166 -0.335 -2.291 1.00 0.00 WT1 O ATOM 5972 H1 TIP3 983 3.634 -5.364 5.861 1.00 0.00 WT1 H ATOM 5973 H2 TIP3 983 -5.477 -0.877 35.005 1.00 0.00 WT1 H ATOM 5974 OH2 TIP3 984 -1.338 1.434 5.655 1.00 0.00 WT1 O ATOM 5975 H1 TIP3 984 -4.193 5.602 -1.177 1.00 0.00 WT1 H ATOM 5976 H2 TIP3 984 0.333 -1.455 8.863 1.00 0.00 WT1 H ATOM 5977 OH2 TIP3 985 4.580 1.070 8.854 1.00 0.00 WT1 O ATOM 5978 H1 TIP3 985 -8.666 3.092 0.161 1.00 0.00 WT1 H ATOM 5979 H2 TIP3 985 1.990 2.230 7.433 1.00 0.00 WT1 H ATOM 5980 OH2 TIP3 986 2.811 5.169 -2.981 1.00 0.00 WT1 O ATOM 5981 H1 TIP3 986 -11.026 -15.179 4.978 1.00 0.00 WT1 H ATOM 5982 H2 TIP3 986 20.531 -0.574 6.850 1.00 0.00 WT1 H ATOM 5983 OH2 TIP3 988 0.913 -2.260 0.576 1.00 0.00 WT1 O ATOM 5984 H1 TIP3 988 6.764 -7.687 -4.907 1.00 0.00 WT1 H ATOM 5985 H2 TIP3 988 -0.117 6.581 3.975 1.00 0.00 WT1 H ATOM 5986 OH2 TIP3 989 -0.278 4.954 1.048 1.00 0.00 WT1 O ATOM 5987 H1 TIP3 989 2.250 -8.104 -23.194 1.00 0.00 WT1 H ATOM 5988 H2 TIP3 989 -1.928 13.258 28.469 1.00 0.00 WT1 H ATOM 5989 OH2 TIP3 990 1.299 -0.550 -0.561 1.00 0.00 WT1 O ATOM 5990 H1 TIP3 990 0.981 -2.907 0.539 1.00 0.00 WT1 H ATOM 5991 H2 TIP3 990 10.870 9.718 -13.289 1.00 0.00 WT1 H ATOM 5992 OH2 TIP3 991 7.279 -0.973 1.837 1.00 0.00 WT1 O ATOM 5993 H1 TIP3 991 7.184 -6.075 -6.835 1.00 0.00 WT1 H ATOM 5994 H2 TIP3 991 9.022 -6.926 -5.604 1.00 0.00 WT1 H ATOM 5995 OH2 TIP3 992 -5.015 1.895 -3.468 1.00 0.00 WT1 O ATOM 5996 H1 TIP3 992 0.957 4.491 0.095 1.00 0.00 WT1 H ATOM 5997 H2 TIP3 992 24.666 9.035 12.564 1.00 0.00 WT1 H ATOM 5998 OH2 TIP3 994 -1.623 -3.718 0.813 1.00 0.00 WT1 O ATOM 5999 H1 TIP3 994 -5.442 -3.289 4.856 1.00 0.00 WT1 H ATOM 6000 H2 TIP3 994 -3.761 3.268 0.058 1.00 0.00 WT1 H ATOM 6001 OH2 TIP3 995 6.845 10.569 -3.012 1.00 0.00 WT1 O ATOM 6002 H1 TIP3 995 4.042 -29.535 16.572 1.00 0.00 WT1 H ATOM 6003 H2 TIP3 995 -17.337 24.001 -13.788 1.00 0.00 WT1 H ATOM 6004 OH2 TIP3 996 -5.459 0.237 -4.844 1.00 0.00 WT1 O ATOM 6005 H1 TIP3 996 2.394 3.834 -10.470 1.00 0.00 WT1 H ATOM 6006 H2 TIP3 996 -26.045 24.245 -1.387 1.00 0.00 WT1 H ATOM 6007 OH2 TIP3 997 -5.623 -7.752 7.036 1.00 0.00 WT1 O ATOM 6008 H1 TIP3 997 12.032 -4.266 -15.747 1.00 0.00 WT1 H ATOM 6009 H2 TIP3 997 1.097 -9.405 -1.921 1.00 0.00 WT1 H ATOM 6010 OH2 TIP3 999 3.826 3.444 -4.414 1.00 0.00 WT1 O ATOM 6011 H1 TIP3 999 6.329 3.179 5.914 1.00 0.00 WT1 H ATOM 6012 H2 TIP3 999 2.777 4.473 -1.146 1.00 0.00 WT1 H ATOM 6013 OH2 TIP3 1000 -6.918 2.344 -3.535 1.00 0.00 WT1 O ATOM 6014 H1 TIP3 1000 12.310 0.590 -8.776 1.00 0.00 WT1 H ATOM 6015 H2 TIP3 1000 -20.143 4.020 -4.463 1.00 0.00 WT1 H ATOM 6016 OH2 TIP3 1001 -1.522 -1.350 4.053 1.00 0.00 WT1 O ATOM 6017 H1 TIP3 1001 -7.408 -10.736 -5.732 1.00 0.00 WT1 H ATOM 6018 H2 TIP3 1001 5.649 -5.175 -6.590 1.00 0.00 WT1 H ATOM 6019 OH2 TIP3 1002 4.743 -13.202 0.643 1.00 0.00 WT1 O ATOM 6020 H1 TIP3 1002 4.933 1.998 0.304 1.00 0.00 WT1 H ATOM 6021 H2 TIP3 1002 -13.557 5.245 1.075 1.00 0.00 WT1 H ATOM 6022 OH2 TIP3 1003 -1.626 2.210 -6.410 1.00 0.00 WT1 O ATOM 6023 H1 TIP3 1003 -8.176 -16.315 -4.864 1.00 0.00 WT1 H ATOM 6024 H2 TIP3 1003 -2.026 19.405 14.782 1.00 0.00 WT1 H ATOM 6025 OH2 TIP3 1004 1.162 -2.218 -2.952 1.00 0.00 WT1 O ATOM 6026 H1 TIP3 1004 2.180 14.185 -6.242 1.00 0.00 WT1 H ATOM 6027 H2 TIP3 1004 2.258 4.685 0.445 1.00 0.00 WT1 H ATOM 6028 OH2 TIP3 1005 3.858 2.782 -2.475 1.00 0.00 WT1 O ATOM 6029 H1 TIP3 1005 -0.449 6.754 9.513 1.00 0.00 WT1 H ATOM 6030 H2 TIP3 1005 2.584 -2.864 -4.701 1.00 0.00 WT1 H ATOM 6031 OH2 TIP3 1006 2.030 -1.588 -3.887 1.00 0.00 WT1 O ATOM 6032 H1 TIP3 1006 -2.934 -5.033 -8.653 1.00 0.00 WT1 H ATOM 6033 H2 TIP3 1006 -23.842 -0.534 -22.263 1.00 0.00 WT1 H ATOM 6034 OH2 TIP3 1007 0.027 2.194 1.991 1.00 0.00 WT1 O ATOM 6035 H1 TIP3 1007 -14.418 1.692 -14.175 1.00 0.00 WT1 H ATOM 6036 H2 TIP3 1007 0.338 -17.345 7.213 1.00 0.00 WT1 H ATOM 6037 OH2 TIP3 1008 -4.739 -0.568 -0.445 1.00 0.00 WT1 O ATOM 6038 H1 TIP3 1008 7.735 13.482 -11.517 1.00 0.00 WT1 H ATOM 6039 H2 TIP3 1008 4.558 -12.539 14.772 1.00 0.00 WT1 H ATOM 6040 OH2 TIP3 1009 1.160 -2.127 0.851 1.00 0.00 WT1 O ATOM 6041 H1 TIP3 1009 10.552 -10.298 7.987 1.00 0.00 WT1 H ATOM 6042 H2 TIP3 1009 11.021 2.843 5.168 1.00 0.00 WT1 H ATOM 6043 OH2 TIP3 1010 2.653 1.553 -1.755 1.00 0.00 WT1 O ATOM 6044 H1 TIP3 1010 -7.179 3.060 -6.622 1.00 0.00 WT1 H ATOM 6045 H2 TIP3 1010 -8.266 4.987 -5.111 1.00 0.00 WT1 H ATOM 6046 OH2 TIP3 1011 5.509 0.173 1.034 1.00 0.00 WT1 O ATOM 6047 H1 TIP3 1011 13.552 8.435 11.035 1.00 0.00 WT1 H ATOM 6048 H2 TIP3 1011 18.040 -0.766 -8.480 1.00 0.00 WT1 H ATOM 6049 OH2 TIP3 1012 -3.545 7.178 -3.548 1.00 0.00 WT1 O ATOM 6050 H1 TIP3 1012 14.829 2.956 8.904 1.00 0.00 WT1 H ATOM 6051 H2 TIP3 1012 -17.528 0.623 26.496 1.00 0.00 WT1 H ATOM 6052 OH2 TIP3 1013 4.383 -4.073 3.113 1.00 0.00 WT1 O ATOM 6053 H1 TIP3 1013 19.704 1.283 33.763 1.00 0.00 WT1 H ATOM 6054 H2 TIP3 1013 -2.854 -14.589 -10.045 1.00 0.00 WT1 H ATOM 6055 OH2 TIP3 1014 3.784 0.454 -3.641 1.00 0.00 WT1 O ATOM 6056 H1 TIP3 1014 0.262 6.295 0.391 1.00 0.00 WT1 H ATOM 6057 H2 TIP3 1014 4.217 26.266 -13.288 1.00 0.00 WT1 H ATOM 6058 OH2 TIP3 1015 -1.666 -3.374 -2.028 1.00 0.00 WT1 O ATOM 6059 H1 TIP3 1015 -7.521 -11.198 16.210 1.00 0.00 WT1 H ATOM 6060 H2 TIP3 1015 -0.391 8.995 -2.029 1.00 0.00 WT1 H ATOM 6061 OH2 TIP3 1016 -9.913 -2.036 -4.537 1.00 0.00 WT1 O ATOM 6062 H1 TIP3 1016 23.207 -9.168 -11.553 1.00 0.00 WT1 H ATOM 6063 H2 TIP3 1016 23.053 -26.849 10.919 1.00 0.00 WT1 H ATOM 6064 OH2 TIP3 1017 -7.958 2.773 6.496 1.00 0.00 WT1 O ATOM 6065 H1 TIP3 1017 -6.871 1.420 28.076 1.00 0.00 WT1 H ATOM 6066 H2 TIP3 1017 -8.097 2.815 20.762 1.00 0.00 WT1 H ATOM 6067 OH2 TIP3 1018 0.305 0.321 -6.369 1.00 0.00 WT1 O ATOM 6068 H1 TIP3 1018 7.267 23.973 -14.495 1.00 0.00 WT1 H ATOM 6069 H2 TIP3 1018 -25.626 1.310 -2.222 1.00 0.00 WT1 H ATOM 6070 OH2 TIP3 1020 -4.223 0.032 7.432 1.00 0.00 WT1 O ATOM 6071 H1 TIP3 1020 0.109 0.925 -20.982 1.00 0.00 WT1 H ATOM 6072 H2 TIP3 1020 -21.099 -17.077 5.124 1.00 0.00 WT1 H ATOM 6073 OH2 TIP3 1021 -5.137 -3.037 1.920 1.00 0.00 WT1 O ATOM 6074 H1 TIP3 1021 -19.508 -18.029 7.289 1.00 0.00 WT1 H ATOM 6075 H2 TIP3 1021 8.507 -17.346 -2.663 1.00 0.00 WT1 H ATOM 6076 OH2 TIP3 1022 -4.361 -0.832 -2.079 1.00 0.00 WT1 O ATOM 6077 H1 TIP3 1022 10.778 1.361 -23.992 1.00 0.00 WT1 H ATOM 6078 H2 TIP3 1022 -14.991 7.873 5.402 1.00 0.00 WT1 H ATOM 6079 OH2 TIP3 1023 -0.645 -4.550 4.727 1.00 0.00 WT1 O ATOM 6080 H1 TIP3 1023 -8.127 -13.094 11.766 1.00 0.00 WT1 H ATOM 6081 H2 TIP3 1023 0.771 -27.978 25.253 1.00 0.00 WT1 H ATOM 6082 OH2 TIP3 1025 8.002 2.231 -3.689 1.00 0.00 WT1 O ATOM 6083 H1 TIP3 1025 -10.199 1.733 -12.911 1.00 0.00 WT1 H ATOM 6084 H2 TIP3 1025 9.996 5.787 5.689 1.00 0.00 WT1 H ATOM 6085 OH2 TIP3 1026 -1.949 6.429 -2.340 1.00 0.00 WT1 O ATOM 6086 H1 TIP3 1026 12.847 -3.654 -8.166 1.00 0.00 WT1 H ATOM 6087 H2 TIP3 1026 -11.535 -8.135 -8.174 1.00 0.00 WT1 H ATOM 6088 OH2 TIP3 1027 6.093 3.372 1.862 1.00 0.00 WT1 O ATOM 6089 H1 TIP3 1027 5.164 0.201 -0.322 1.00 0.00 WT1 H ATOM 6090 H2 TIP3 1027 20.166 19.827 -18.467 1.00 0.00 WT1 H ATOM 6091 OH2 TIP3 1028 2.565 -0.914 -0.803 1.00 0.00 WT1 O ATOM 6092 H1 TIP3 1028 -9.906 -0.717 -9.705 1.00 0.00 WT1 H ATOM 6093 H2 TIP3 1028 1.824 11.144 1.804 1.00 0.00 WT1 H ATOM 6094 OH2 TIP3 1029 4.045 6.236 -4.358 1.00 0.00 WT1 O ATOM 6095 H1 TIP3 1029 1.644 5.736 -6.184 1.00 0.00 WT1 H ATOM 6096 H2 TIP3 1029 -0.766 0.643 -9.107 1.00 0.00 WT1 H ATOM 6097 OH2 TIP3 1030 4.512 1.951 -1.497 1.00 0.00 WT1 O ATOM 6098 H1 TIP3 1030 2.164 12.207 4.638 1.00 0.00 WT1 H ATOM 6099 H2 TIP3 1030 7.999 2.784 -4.856 1.00 0.00 WT1 H ATOM 6100 OH2 TIP3 1031 -10.883 -2.984 -0.874 1.00 0.00 WT1 O ATOM 6101 H1 TIP3 1031 5.832 1.382 3.091 1.00 0.00 WT1 H ATOM 6102 H2 TIP3 1031 -18.136 -10.090 14.950 1.00 0.00 WT1 H ATOM 6103 OH2 TIP3 1032 -0.328 7.374 5.507 1.00 0.00 WT1 O ATOM 6104 H1 TIP3 1032 -23.342 8.675 -3.837 1.00 0.00 WT1 H ATOM 6105 H2 TIP3 1032 14.114 1.375 -14.408 1.00 0.00 WT1 H ATOM 6106 OH2 TIP3 1033 -2.179 -0.385 -4.921 1.00 0.00 WT1 O ATOM 6107 H1 TIP3 1033 1.250 -28.728 -2.986 1.00 0.00 WT1 H ATOM 6108 H2 TIP3 1033 2.615 -15.473 -3.191 1.00 0.00 WT1 H ATOM 6109 OH2 TIP3 1034 6.545 1.919 5.047 1.00 0.00 WT1 O ATOM 6110 H1 TIP3 1034 2.356 12.188 -0.618 1.00 0.00 WT1 H ATOM 6111 H2 TIP3 1034 5.151 -0.957 0.887 1.00 0.00 WT1 H ATOM 6112 OH2 TIP3 1035 5.245 0.496 4.233 1.00 0.00 WT1 O ATOM 6113 H1 TIP3 1035 0.123 21.862 -15.978 1.00 0.00 WT1 H ATOM 6114 H2 TIP3 1035 14.702 -15.770 -12.237 1.00 0.00 WT1 H ATOM 6115 OH2 TIP3 1036 -3.840 0.962 0.520 1.00 0.00 WT1 O ATOM 6116 H1 TIP3 1036 -7.734 -6.032 25.478 1.00 0.00 WT1 H ATOM 6117 H2 TIP3 1036 -15.772 -9.985 19.764 1.00 0.00 WT1 H ATOM 6118 OH2 TIP3 1037 2.120 2.630 -4.795 1.00 0.00 WT1 O ATOM 6119 H1 TIP3 1037 6.714 -2.345 -8.267 1.00 0.00 WT1 H ATOM 6120 H2 TIP3 1037 1.594 6.806 -13.227 1.00 0.00 WT1 H ATOM 6121 OH2 TIP3 1038 -2.446 7.861 -0.910 1.00 0.00 WT1 O ATOM 6122 H1 TIP3 1038 -0.147 13.202 5.418 1.00 0.00 WT1 H ATOM 6123 H2 TIP3 1038 -2.690 -3.718 -13.014 1.00 0.00 WT1 H ATOM 6124 OH2 TIP3 1039 -2.640 -1.156 1.841 1.00 0.00 WT1 O ATOM 6125 H1 TIP3 1039 -11.799 -13.110 6.959 1.00 0.00 WT1 H ATOM 6126 H2 TIP3 1039 -1.264 -18.816 -4.973 1.00 0.00 WT1 H ATOM 6127 OH2 TIP3 1040 -3.928 -5.314 -2.822 1.00 0.00 WT1 O ATOM 6128 H1 TIP3 1040 14.955 -6.947 12.578 1.00 0.00 WT1 H ATOM 6129 H2 TIP3 1040 4.701 -6.947 5.011 1.00 0.00 WT1 H ATOM 6130 OH2 TIP3 1041 -5.041 -0.004 -2.315 1.00 0.00 WT1 O ATOM 6131 H1 TIP3 1041 18.730 -23.722 17.491 1.00 0.00 WT1 H ATOM 6132 H2 TIP3 1041 -7.414 -2.820 -5.342 1.00 0.00 WT1 H ATOM 6133 OH2 TIP3 1042 -1.216 4.560 -3.044 1.00 0.00 WT1 O ATOM 6134 H1 TIP3 1042 -4.844 8.093 -4.453 1.00 0.00 WT1 H ATOM 6135 H2 TIP3 1042 -3.957 0.836 -1.636 1.00 0.00 WT1 H ATOM 6136 OH2 TIP3 1043 2.788 1.653 -2.199 1.00 0.00 WT1 O ATOM 6137 H1 TIP3 1043 5.015 2.426 -18.751 1.00 0.00 WT1 H ATOM 6138 H2 TIP3 1043 -0.126 -3.304 19.143 1.00 0.00 WT1 H ATOM 6139 OH2 TIP3 1044 -0.901 1.952 -8.985 1.00 0.00 WT1 O ATOM 6140 H1 TIP3 1044 15.711 3.148 -5.592 1.00 0.00 WT1 H ATOM 6141 H2 TIP3 1044 29.733 1.311 -27.235 1.00 0.00 WT1 H ATOM 6142 OH2 TIP3 1045 6.393 4.448 1.496 1.00 0.00 WT1 O ATOM 6143 H1 TIP3 1045 5.727 11.873 -10.841 1.00 0.00 WT1 H ATOM 6144 H2 TIP3 1045 -2.309 15.319 -9.586 1.00 0.00 WT1 H ATOM 6145 OH2 TIP3 1046 0.639 -7.149 -1.259 1.00 0.00 WT1 O ATOM 6146 H1 TIP3 1046 -9.336 32.077 3.808 1.00 0.00 WT1 H ATOM 6147 H2 TIP3 1046 -1.848 3.623 0.134 1.00 0.00 WT1 H ATOM 6148 OH2 TIP3 1047 -3.539 8.905 -2.197 1.00 0.00 WT1 O ATOM 6149 H1 TIP3 1047 -7.070 8.845 -5.884 1.00 0.00 WT1 H ATOM 6150 H2 TIP3 1047 1.112 12.425 -3.325 1.00 0.00 WT1 H ATOM 6151 OH2 TIP3 1048 3.380 -7.850 -1.152 1.00 0.00 WT1 O ATOM 6152 H1 TIP3 1048 -1.046 -16.100 2.879 1.00 0.00 WT1 H ATOM 6153 H2 TIP3 1048 -11.765 -15.360 -5.245 1.00 0.00 WT1 H ATOM 6154 OH2 TIP3 1049 0.465 -4.355 2.974 1.00 0.00 WT1 O ATOM 6155 H1 TIP3 1049 -12.675 -8.400 25.318 1.00 0.00 WT1 H ATOM 6156 H2 TIP3 1049 20.178 9.309 2.027 1.00 0.00 WT1 H ATOM 6157 OH2 TIP3 1050 0.410 -1.763 5.098 1.00 0.00 WT1 O ATOM 6158 H1 TIP3 1050 14.914 -9.423 2.961 1.00 0.00 WT1 H ATOM 6159 H2 TIP3 1050 3.138 -3.732 -15.582 1.00 0.00 WT1 H ATOM 6160 OH2 TIP3 1051 2.545 1.308 -1.157 1.00 0.00 WT1 O ATOM 6161 H1 TIP3 1051 -0.502 0.148 -4.077 1.00 0.00 WT1 H ATOM 6162 H2 TIP3 1051 1.824 1.776 8.699 1.00 0.00 WT1 H ATOM 6163 OH2 TIP3 1052 -1.048 1.836 -2.652 1.00 0.00 WT1 O ATOM 6164 H1 TIP3 1052 2.930 15.504 0.575 1.00 0.00 WT1 H ATOM 6165 H2 TIP3 1052 6.483 2.012 -6.792 1.00 0.00 WT1 H ATOM 6166 OH2 TIP3 1053 -4.508 -3.545 0.283 1.00 0.00 WT1 O ATOM 6167 H1 TIP3 1053 3.297 -2.226 -13.556 1.00 0.00 WT1 H ATOM 6168 H2 TIP3 1053 -3.811 -2.469 -1.541 1.00 0.00 WT1 H ATOM 6169 OH2 TIP3 1054 -0.502 2.027 -4.999 1.00 0.00 WT1 O ATOM 6170 H1 TIP3 1054 3.024 -0.721 -10.313 1.00 0.00 WT1 H ATOM 6171 H2 TIP3 1054 -16.367 8.835 27.278 1.00 0.00 WT1 H ATOM 6172 OH2 TIP3 1055 -0.452 -1.314 5.333 1.00 0.00 WT1 O ATOM 6173 H1 TIP3 1055 10.573 -3.746 -19.053 1.00 0.00 WT1 H ATOM 6174 H2 TIP3 1055 -23.505 -12.146 11.012 1.00 0.00 WT1 H ATOM 6175 OH2 TIP3 1056 7.739 -3.362 -8.914 1.00 0.00 WT1 O ATOM 6176 H1 TIP3 1056 29.085 -28.273 -13.749 1.00 0.00 WT1 H ATOM 6177 H2 TIP3 1056 -3.988 -5.624 -11.715 1.00 0.00 WT1 H ATOM 6178 OH2 TIP3 1057 -2.065 -5.975 1.548 1.00 0.00 WT1 O ATOM 6179 H1 TIP3 1057 -14.091 -10.171 -15.657 1.00 0.00 WT1 H ATOM 6180 H2 TIP3 1057 -4.811 14.182 2.625 1.00 0.00 WT1 H ATOM 6181 OH2 TIP3 1058 -3.143 -6.107 -7.439 1.00 0.00 WT1 O ATOM 6182 H1 TIP3 1058 -3.570 -15.480 -10.814 1.00 0.00 WT1 H ATOM 6183 H2 TIP3 1058 -3.775 6.409 -21.573 1.00 0.00 WT1 H ATOM 6184 OH2 TIP3 1059 -1.471 0.624 2.107 1.00 0.00 WT1 O ATOM 6185 H1 TIP3 1059 -12.252 -1.376 8.651 1.00 0.00 WT1 H ATOM 6186 H2 TIP3 1059 -3.998 9.164 -0.253 1.00 0.00 WT1 H ATOM 6187 OH2 TIP3 1060 -3.493 -0.576 -2.415 1.00 0.00 WT1 O ATOM 6188 H1 TIP3 1060 -16.448 32.615 -8.093 1.00 0.00 WT1 H ATOM 6189 H2 TIP3 1060 11.155 -16.845 16.465 1.00 0.00 WT1 H ATOM 6190 OH2 TIP3 1061 1.568 -5.513 -1.853 1.00 0.00 WT1 O ATOM 6191 H1 TIP3 1061 -12.538 0.422 -17.725 1.00 0.00 WT1 H ATOM 6192 H2 TIP3 1061 -7.741 -2.103 -11.857 1.00 0.00 WT1 H ATOM 6193 OH2 TIP3 1062 4.625 1.831 -2.097 1.00 0.00 WT1 O ATOM 6194 H1 TIP3 1062 -5.275 7.793 -18.406 1.00 0.00 WT1 H ATOM 6195 H2 TIP3 1062 17.157 10.348 1.124 1.00 0.00 WT1 H ATOM 6196 OH2 TIP3 1063 -2.556 5.576 -2.093 1.00 0.00 WT1 O ATOM 6197 H1 TIP3 1063 -7.340 -8.072 -23.731 1.00 0.00 WT1 H ATOM 6198 H2 TIP3 1063 -3.120 23.245 17.389 1.00 0.00 WT1 H ATOM 6199 OH2 TIP3 1064 -3.833 2.325 1.580 1.00 0.00 WT1 O ATOM 6200 H1 TIP3 1064 -11.576 13.405 -4.951 1.00 0.00 WT1 H ATOM 6201 H2 TIP3 1064 9.058 -7.546 -9.756 1.00 0.00 WT1 H ATOM 6202 OH2 TIP3 1065 -2.477 -0.371 -1.247 1.00 0.00 WT1 O ATOM 6203 H1 TIP3 1065 -3.042 -0.047 -0.618 1.00 0.00 WT1 H ATOM 6204 H2 TIP3 1065 12.327 -4.342 -8.843 1.00 0.00 WT1 H ATOM 6205 OH2 TIP3 1066 -1.618 5.483 -1.040 1.00 0.00 WT1 O ATOM 6206 H1 TIP3 1066 -16.567 13.594 19.156 1.00 0.00 WT1 H ATOM 6207 H2 TIP3 1066 15.502 0.182 10.395 1.00 0.00 WT1 H ATOM 6208 OH2 TIP3 1067 -3.169 -3.969 -0.224 1.00 0.00 WT1 O ATOM 6209 H1 TIP3 1067 3.567 -10.697 -3.662 1.00 0.00 WT1 H ATOM 6210 H2 TIP3 1067 -4.477 7.100 -8.113 1.00 0.00 WT1 H ATOM 6211 OH2 TIP3 1068 -4.349 4.005 2.797 1.00 0.00 WT1 O ATOM 6212 H1 TIP3 1068 -0.013 5.836 6.149 1.00 0.00 WT1 H ATOM 6213 H2 TIP3 1068 1.144 13.211 -3.155 1.00 0.00 WT1 H ATOM 6214 OH2 TIP3 1069 1.866 8.128 2.117 1.00 0.00 WT1 O ATOM 6215 H1 TIP3 1069 7.690 -12.968 17.035 1.00 0.00 WT1 H ATOM 6216 H2 TIP3 1069 -1.700 21.317 -8.233 1.00 0.00 WT1 H ATOM 6217 OH2 TIP3 1070 -3.499 -2.674 4.109 1.00 0.00 WT1 O ATOM 6218 H1 TIP3 1070 -16.906 6.706 9.090 1.00 0.00 WT1 H ATOM 6219 H2 TIP3 1070 -14.247 -7.861 -6.590 1.00 0.00 WT1 H ATOM 6220 OH2 TIP3 1071 -1.962 -1.226 0.812 1.00 0.00 WT1 O ATOM 6221 H1 TIP3 1071 -8.740 9.193 28.927 1.00 0.00 WT1 H ATOM 6222 H2 TIP3 1071 -2.372 16.519 -1.167 1.00 0.00 WT1 H ATOM 6223 OH2 TIP3 1072 1.910 2.875 2.551 1.00 0.00 WT1 O ATOM 6224 H1 TIP3 1072 12.103 2.833 -21.776 1.00 0.00 WT1 H ATOM 6225 H2 TIP3 1072 20.855 -2.316 18.313 1.00 0.00 WT1 H ATOM 6226 OH2 TIP3 1073 -1.747 4.501 1.445 1.00 0.00 WT1 O ATOM 6227 H1 TIP3 1073 -5.677 4.156 -0.087 1.00 0.00 WT1 H ATOM 6228 H2 TIP3 1073 17.690 5.065 11.854 1.00 0.00 WT1 H ATOM 6229 OH2 TIP3 1074 -5.808 -2.742 -2.313 1.00 0.00 WT1 O ATOM 6230 H1 TIP3 1074 -0.717 1.804 -9.377 1.00 0.00 WT1 H ATOM 6231 H2 TIP3 1074 38.897 -11.626 -19.581 1.00 0.00 WT1 H ATOM 6232 OH2 TIP3 1076 2.801 -1.813 -4.814 1.00 0.00 WT1 O ATOM 6233 H1 TIP3 1076 7.279 -7.931 13.666 1.00 0.00 WT1 H ATOM 6234 H2 TIP3 1076 6.073 -8.985 10.162 1.00 0.00 WT1 H ATOM 6235 OH2 TIP3 1077 -7.488 1.495 0.150 1.00 0.00 WT1 O ATOM 6236 H1 TIP3 1077 -14.735 0.335 7.504 1.00 0.00 WT1 H ATOM 6237 H2 TIP3 1077 11.005 1.971 -22.364 1.00 0.00 WT1 H ATOM 6238 OH2 TIP3 1078 1.363 -0.230 -0.900 1.00 0.00 WT1 O ATOM 6239 H1 TIP3 1078 15.742 5.013 -4.407 1.00 0.00 WT1 H ATOM 6240 H2 TIP3 1078 6.102 0.256 -3.011 1.00 0.00 WT1 H ATOM 6241 OH2 TIP3 1080 -2.442 -1.927 4.930 1.00 0.00 WT1 O ATOM 6242 H1 TIP3 1080 14.452 -18.405 -12.810 1.00 0.00 WT1 H ATOM 6243 H2 TIP3 1080 -8.267 2.907 13.633 1.00 0.00 WT1 H ATOM 6244 OH2 TIP3 1081 1.921 3.782 -5.006 1.00 0.00 WT1 O ATOM 6245 H1 TIP3 1081 -10.322 1.150 -10.460 1.00 0.00 WT1 H ATOM 6246 H2 TIP3 1081 13.782 -0.081 -13.394 1.00 0.00 WT1 H ATOM 6247 OH2 TIP3 1084 -5.888 -3.715 -0.470 1.00 0.00 WT1 O ATOM 6248 H1 TIP3 1084 -12.679 -20.015 0.296 1.00 0.00 WT1 H ATOM 6249 H2 TIP3 1084 2.238 -5.398 13.982 1.00 0.00 WT1 H ATOM 6250 OH2 TIP3 1085 0.560 5.487 -2.603 1.00 0.00 WT1 O ATOM 6251 H1 TIP3 1085 -8.674 6.144 -21.560 1.00 0.00 WT1 H ATOM 6252 H2 TIP3 1085 -13.477 10.228 -33.162 1.00 0.00 WT1 H ATOM 6253 OH2 TIP3 1086 4.436 0.904 6.066 1.00 0.00 WT1 O ATOM 6254 H1 TIP3 1086 4.494 7.614 2.472 1.00 0.00 WT1 H ATOM 6255 H2 TIP3 1086 14.515 -6.110 7.143 1.00 0.00 WT1 H ATOM 6256 OH2 TIP3 1087 -2.083 1.833 -1.179 1.00 0.00 WT1 O ATOM 6257 H1 TIP3 1087 -9.858 -0.134 -5.857 1.00 0.00 WT1 H ATOM 6258 H2 TIP3 1087 4.791 -4.193 12.761 1.00 0.00 WT1 H ATOM 6259 OH2 TIP3 1088 -6.036 -0.349 -5.899 1.00 0.00 WT1 O ATOM 6260 H1 TIP3 1088 -17.808 7.975 -6.711 1.00 0.00 WT1 H ATOM 6261 H2 TIP3 1088 -0.887 -4.214 5.495 1.00 0.00 WT1 H ATOM 6262 OH2 TIP3 1089 2.557 -5.031 -5.459 1.00 0.00 WT1 O ATOM 6263 H1 TIP3 1089 -9.024 -1.429 6.877 1.00 0.00 WT1 H ATOM 6264 H2 TIP3 1089 -8.668 -3.825 2.384 1.00 0.00 WT1 H ATOM 6265 OH2 TIP3 1090 -7.208 -1.920 0.932 1.00 0.00 WT1 O ATOM 6266 H1 TIP3 1090 -11.958 -0.846 -6.971 1.00 0.00 WT1 H ATOM 6267 H2 TIP3 1090 21.991 12.696 11.175 1.00 0.00 WT1 H ATOM 6268 OH2 TIP3 1091 4.427 -0.308 0.101 1.00 0.00 WT1 O ATOM 6269 H1 TIP3 1091 -3.931 1.618 12.781 1.00 0.00 WT1 H ATOM 6270 H2 TIP3 1091 -3.966 6.284 -13.768 1.00 0.00 WT1 H ATOM 6271 OH2 TIP3 1092 1.871 8.024 6.120 1.00 0.00 WT1 O ATOM 6272 H1 TIP3 1092 19.219 -11.200 8.655 1.00 0.00 WT1 H ATOM 6273 H2 TIP3 1092 2.514 7.665 5.881 1.00 0.00 WT1 H ATOM 6274 OH2 TIP3 1093 -1.627 -6.948 -4.000 1.00 0.00 WT1 O ATOM 6275 H1 TIP3 1093 -7.275 -3.544 1.350 1.00 0.00 WT1 H ATOM 6276 H2 TIP3 1093 -18.988 -5.823 -8.223 1.00 0.00 WT1 H ATOM 6277 OH2 TIP3 1094 3.559 5.830 5.290 1.00 0.00 WT1 O ATOM 6278 H1 TIP3 1094 9.808 -4.570 9.449 1.00 0.00 WT1 H ATOM 6279 H2 TIP3 1094 -18.883 -1.733 -2.029 1.00 0.00 WT1 H ATOM 6280 OH2 TIP3 1095 -3.303 -10.481 1.449 1.00 0.00 WT1 O ATOM 6281 H1 TIP3 1095 -10.755 1.657 6.555 1.00 0.00 WT1 H ATOM 6282 H2 TIP3 1095 -6.279 -9.387 4.730 1.00 0.00 WT1 H ATOM 6283 OH2 TIP3 1096 4.096 -1.457 -3.914 1.00 0.00 WT1 O ATOM 6284 H1 TIP3 1096 -9.947 2.835 1.317 1.00 0.00 WT1 H ATOM 6285 H2 TIP3 1096 2.785 -16.026 3.040 1.00 0.00 WT1 H ATOM 6286 OH2 TIP3 1097 -4.607 2.190 -2.545 1.00 0.00 WT1 O ATOM 6287 H1 TIP3 1097 -9.961 11.949 -1.786 1.00 0.00 WT1 H ATOM 6288 H2 TIP3 1097 -4.087 -14.609 -12.137 1.00 0.00 WT1 H ATOM 6289 OH2 TIP3 1098 -2.751 4.719 1.348 1.00 0.00 WT1 O ATOM 6290 H1 TIP3 1098 -4.669 3.813 1.584 1.00 0.00 WT1 H ATOM 6291 H2 TIP3 1098 -14.777 -7.761 26.152 1.00 0.00 WT1 H ATOM 6292 OH2 TIP3 1099 -5.994 -0.166 0.696 1.00 0.00 WT1 O ATOM 6293 H1 TIP3 1099 0.812 0.482 -13.103 1.00 0.00 WT1 H ATOM 6294 H2 TIP3 1099 -1.034 -6.632 1.117 1.00 0.00 WT1 H ATOM 6295 OH2 TIP3 1100 7.887 0.419 -0.908 1.00 0.00 WT1 O ATOM 6296 H1 TIP3 1100 18.234 -7.932 -5.564 1.00 0.00 WT1 H ATOM 6297 H2 TIP3 1100 5.849 19.012 11.403 1.00 0.00 WT1 H ATOM 6298 OH2 TIP3 1101 -2.662 -0.069 6.086 1.00 0.00 WT1 O ATOM 6299 H1 TIP3 1101 -6.216 -8.387 20.546 1.00 0.00 WT1 H ATOM 6300 H2 TIP3 1101 2.469 6.638 -0.310 1.00 0.00 WT1 H ATOM 6301 OH2 TIP3 1102 -1.083 -2.471 0.650 1.00 0.00 WT1 O ATOM 6302 H1 TIP3 1102 -8.077 -7.029 6.184 1.00 0.00 WT1 H ATOM 6303 H2 TIP3 1102 -16.126 2.868 -16.146 1.00 0.00 WT1 H ATOM 6304 OH2 TIP3 1103 -0.385 -3.651 2.484 1.00 0.00 WT1 O ATOM 6305 H1 TIP3 1103 -2.665 -4.917 -3.739 1.00 0.00 WT1 H ATOM 6306 H2 TIP3 1103 -0.706 -6.931 -5.543 1.00 0.00 WT1 H ATOM 6307 OH2 TIP3 1104 3.722 -4.085 4.509 1.00 0.00 WT1 O ATOM 6308 H1 TIP3 1104 -10.523 2.019 7.222 1.00 0.00 WT1 H ATOM 6309 H2 TIP3 1104 -10.381 -35.268 15.710 1.00 0.00 WT1 H ATOM 6310 OH2 TIP3 1105 0.626 -0.648 -4.535 1.00 0.00 WT1 O ATOM 6311 H1 TIP3 1105 3.002 1.715 10.200 1.00 0.00 WT1 H ATOM 6312 H2 TIP3 1105 2.322 -3.194 -2.029 1.00 0.00 WT1 H ATOM 6313 OH2 TIP3 1106 -1.704 -4.959 3.305 1.00 0.00 WT1 O ATOM 6314 H1 TIP3 1106 -14.020 -11.502 10.113 1.00 0.00 WT1 H ATOM 6315 H2 TIP3 1106 18.434 -12.134 5.936 1.00 0.00 WT1 H ATOM 6316 OH2 TIP3 1107 -4.295 7.864 0.268 1.00 0.00 WT1 O ATOM 6317 H1 TIP3 1107 -1.897 4.149 2.688 1.00 0.00 WT1 H ATOM 6318 H2 TIP3 1107 -7.958 -21.975 9.985 1.00 0.00 WT1 H ATOM 6319 OH2 TIP3 1108 -2.860 -4.576 -1.036 1.00 0.00 WT1 O ATOM 6320 H1 TIP3 1108 -10.383 -2.055 8.623 1.00 0.00 WT1 H ATOM 6321 H2 TIP3 1108 -11.281 -0.661 10.595 1.00 0.00 WT1 H ATOM 6322 OH2 TIP3 1109 -3.210 0.666 -2.215 1.00 0.00 WT1 O ATOM 6323 H1 TIP3 1109 -9.579 1.018 5.593 1.00 0.00 WT1 H ATOM 6324 H2 TIP3 1109 5.366 1.956 -14.207 1.00 0.00 WT1 H ATOM 6325 OH2 TIP3 1110 3.903 2.687 2.955 1.00 0.00 WT1 O ATOM 6326 H1 TIP3 1110 -11.275 -5.494 17.727 1.00 0.00 WT1 H ATOM 6327 H2 TIP3 1110 25.204 12.967 -4.550 1.00 0.00 WT1 H ATOM 6328 OH2 TIP3 1111 3.422 1.257 1.036 1.00 0.00 WT1 O ATOM 6329 H1 TIP3 1111 -7.800 -6.844 -10.278 1.00 0.00 WT1 H ATOM 6330 H2 TIP3 1111 2.517 2.394 -12.658 1.00 0.00 WT1 H ATOM 6331 OH2 TIP3 1112 -3.167 -4.785 1.277 1.00 0.00 WT1 O ATOM 6332 H1 TIP3 1112 -15.028 -4.023 -13.312 1.00 0.00 WT1 H ATOM 6333 H2 TIP3 1112 -8.017 -1.487 -10.657 1.00 0.00 WT1 H ATOM 6334 OH2 TIP3 1113 -8.850 -1.936 2.512 1.00 0.00 WT1 O ATOM 6335 H1 TIP3 1113 1.775 25.157 -8.143 1.00 0.00 WT1 H ATOM 6336 H2 TIP3 1113 19.867 -17.889 16.168 1.00 0.00 WT1 H ATOM 6337 OH2 TIP3 1114 7.574 7.144 1.232 1.00 0.00 WT1 O ATOM 6338 H1 TIP3 1114 -4.618 -8.309 -1.177 1.00 0.00 WT1 H ATOM 6339 H2 TIP3 1114 0.392 11.464 -7.212 1.00 0.00 WT1 H ATOM 6340 OH2 TIP3 1115 6.972 4.538 7.251 1.00 0.00 WT1 O ATOM 6341 H1 TIP3 1115 1.636 -3.669 -7.754 1.00 0.00 WT1 H ATOM 6342 H2 TIP3 1115 -6.861 -18.004 -1.341 1.00 0.00 WT1 H ATOM 6343 OH2 TIP3 1116 -5.399 -0.506 -2.792 1.00 0.00 WT1 O ATOM 6344 H1 TIP3 1116 7.241 4.171 -20.863 1.00 0.00 WT1 H ATOM 6345 H2 TIP3 1116 -8.390 7.922 18.211 1.00 0.00 WT1 H ATOM 6346 OH2 TIP3 1117 0.876 -2.833 2.095 1.00 0.00 WT1 O ATOM 6347 H1 TIP3 1117 -4.683 -3.624 -11.782 1.00 0.00 WT1 H ATOM 6348 H2 TIP3 1117 1.709 -4.970 3.798 1.00 0.00 WT1 H ATOM 6349 OH2 TIP3 1118 -2.789 0.493 1.604 1.00 0.00 WT1 O ATOM 6350 H1 TIP3 1118 -12.829 16.224 -6.280 1.00 0.00 WT1 H ATOM 6351 H2 TIP3 1118 -2.105 8.243 -9.950 1.00 0.00 WT1 H ATOM 6352 OH2 TIP3 1119 -2.206 -3.029 -0.354 1.00 0.00 WT1 O ATOM 6353 H1 TIP3 1119 -13.562 -11.507 -8.941 1.00 0.00 WT1 H ATOM 6354 H2 TIP3 1119 7.999 8.161 4.826 1.00 0.00 WT1 H ATOM 6355 OH2 TIP3 1120 3.522 -1.004 -2.155 1.00 0.00 WT1 O ATOM 6356 H1 TIP3 1120 -23.942 10.077 -14.340 1.00 0.00 WT1 H ATOM 6357 H2 TIP3 1120 -5.940 -5.576 7.366 1.00 0.00 WT1 H ATOM 6358 OH2 TIP3 1121 -3.148 -8.653 -6.204 1.00 0.00 WT1 O ATOM 6359 H1 TIP3 1121 9.308 -13.073 7.161 1.00 0.00 WT1 H ATOM 6360 H2 TIP3 1121 -11.491 -3.826 -7.311 1.00 0.00 WT1 H ATOM 6361 OH2 TIP3 1122 -5.306 1.397 -4.352 1.00 0.00 WT1 O ATOM 6362 H1 TIP3 1122 -11.206 -17.784 -14.216 1.00 0.00 WT1 H ATOM 6363 H2 TIP3 1122 22.597 4.543 -5.900 1.00 0.00 WT1 H ATOM 6364 OH2 TIP3 1123 -1.683 0.831 5.987 1.00 0.00 WT1 O ATOM 6365 H1 TIP3 1123 -2.281 7.908 5.241 1.00 0.00 WT1 H ATOM 6366 H2 TIP3 1123 -5.037 2.595 4.805 1.00 0.00 WT1 H ATOM 6367 OH2 TIP3 1124 -10.923 -2.738 0.104 1.00 0.00 WT1 O ATOM 6368 H1 TIP3 1124 -32.250 -3.828 13.985 1.00 0.00 WT1 H ATOM 6369 H2 TIP3 1124 22.313 -0.424 -22.612 1.00 0.00 WT1 H ATOM 6370 OH2 TIP3 1125 3.262 -3.307 -2.675 1.00 0.00 WT1 O ATOM 6371 H1 TIP3 1125 -12.265 10.596 -16.463 1.00 0.00 WT1 H ATOM 6372 H2 TIP3 1125 -20.644 -17.210 22.706 1.00 0.00 WT1 H ATOM 6373 OH2 TIP3 1126 -1.475 10.144 -0.075 1.00 0.00 WT1 O ATOM 6374 H1 TIP3 1126 -10.079 -3.687 -13.921 1.00 0.00 WT1 H ATOM 6375 H2 TIP3 1126 -21.770 9.737 0.294 1.00 0.00 WT1 H ATOM 6376 OH2 TIP3 1129 4.475 -3.172 -0.641 1.00 0.00 WT1 O ATOM 6377 H1 TIP3 1129 -23.307 17.043 -10.318 1.00 0.00 WT1 H ATOM 6378 H2 TIP3 1129 -4.289 -11.040 -16.621 1.00 0.00 WT1 H ATOM 6379 OH2 TIP3 1130 1.267 -3.469 -1.373 1.00 0.00 WT1 O ATOM 6380 H1 TIP3 1130 -13.648 -2.674 7.510 1.00 0.00 WT1 H ATOM 6381 H2 TIP3 1130 -4.947 -2.895 -4.393 1.00 0.00 WT1 H ATOM 6382 OH2 TIP3 1131 0.244 -2.851 -7.492 1.00 0.00 WT1 O ATOM 6383 H1 TIP3 1131 27.043 5.670 -30.658 1.00 0.00 WT1 H ATOM 6384 H2 TIP3 1131 -25.068 0.027 18.278 1.00 0.00 WT1 H ATOM 6385 OH2 TIP3 1132 0.773 7.873 -3.382 1.00 0.00 WT1 O ATOM 6386 H1 TIP3 1132 -0.175 -5.114 -13.720 1.00 0.00 WT1 H ATOM 6387 H2 TIP3 1132 1.349 -8.778 15.457 1.00 0.00 WT1 H ATOM 6388 OH2 TIP3 1133 -1.781 1.027 -1.939 1.00 0.00 WT1 O ATOM 6389 H1 TIP3 1133 -13.291 6.315 -11.283 1.00 0.00 WT1 H ATOM 6390 H2 TIP3 1133 -4.611 1.557 -5.448 1.00 0.00 WT1 H ATOM 6391 OH2 TIP3 1134 5.442 2.392 -5.249 1.00 0.00 WT1 O ATOM 6392 H1 TIP3 1134 -20.746 -1.880 -10.806 1.00 0.00 WT1 H ATOM 6393 H2 TIP3 1134 10.839 -4.270 -22.780 1.00 0.00 WT1 H ATOM 6394 OH2 TIP3 1135 4.325 4.122 7.620 1.00 0.00 WT1 O ATOM 6395 H1 TIP3 1135 24.801 -9.635 6.881 1.00 0.00 WT1 H ATOM 6396 H2 TIP3 1135 -5.950 10.996 -15.106 1.00 0.00 WT1 H ATOM 6397 OH2 TIP3 1136 -1.437 0.524 1.804 1.00 0.00 WT1 O ATOM 6398 H1 TIP3 1136 8.710 -23.473 3.056 1.00 0.00 WT1 H ATOM 6399 H2 TIP3 1136 2.804 1.625 -3.296 1.00 0.00 WT1 H ATOM 6400 OH2 TIP3 1137 -0.286 1.931 -4.329 1.00 0.00 WT1 O ATOM 6401 H1 TIP3 1137 19.921 -16.003 5.042 1.00 0.00 WT1 H ATOM 6402 H2 TIP3 1137 -21.677 25.173 -22.814 1.00 0.00 WT1 H ATOM 6403 OH2 TIP3 1139 -4.203 -4.058 2.163 1.00 0.00 WT1 O ATOM 6404 H1 TIP3 1139 -0.880 -1.977 -0.372 1.00 0.00 WT1 H ATOM 6405 H2 TIP3 1139 15.362 8.392 -0.986 1.00 0.00 WT1 H ATOM 6406 OH2 TIP3 1140 -0.404 0.340 4.116 1.00 0.00 WT1 O ATOM 6407 H1 TIP3 1140 5.998 -8.351 15.968 1.00 0.00 WT1 H ATOM 6408 H2 TIP3 1140 -6.966 6.732 -10.731 1.00 0.00 WT1 H ATOM 6409 OH2 TIP3 1141 8.323 -5.290 1.087 1.00 0.00 WT1 O ATOM 6410 H1 TIP3 1141 -0.776 -6.084 -14.129 1.00 0.00 WT1 H ATOM 6411 H2 TIP3 1141 9.615 12.279 10.789 1.00 0.00 WT1 H ATOM 6412 OH2 TIP3 1142 5.932 5.717 0.082 1.00 0.00 WT1 O ATOM 6413 H1 TIP3 1142 -16.142 -0.472 -2.264 1.00 0.00 WT1 H ATOM 6414 H2 TIP3 1142 -12.735 -6.561 13.412 1.00 0.00 WT1 H ATOM 6415 OH2 TIP3 1143 -3.064 -4.240 5.707 1.00 0.00 WT1 O ATOM 6416 H1 TIP3 1143 -4.341 -25.703 11.542 1.00 0.00 WT1 H ATOM 6417 H2 TIP3 1143 -14.959 5.008 19.621 1.00 0.00 WT1 H ATOM 6418 OH2 TIP3 1144 -0.710 -1.338 1.933 1.00 0.00 WT1 O ATOM 6419 H1 TIP3 1144 13.668 2.701 2.907 1.00 0.00 WT1 H ATOM 6420 H2 TIP3 1144 -5.319 1.105 0.272 1.00 0.00 WT1 H ATOM 6421 OH2 TIP3 1146 1.716 -4.920 -3.271 1.00 0.00 WT1 O ATOM 6422 H1 TIP3 1146 6.415 -7.101 -2.777 1.00 0.00 WT1 H ATOM 6423 H2 TIP3 1146 -13.472 -4.039 -5.664 1.00 0.00 WT1 H ATOM 6424 OH2 TIP3 1147 0.659 4.216 3.362 1.00 0.00 WT1 O ATOM 6425 H1 TIP3 1147 -13.633 -1.510 3.050 1.00 0.00 WT1 H ATOM 6426 H2 TIP3 1147 -6.832 -4.065 -0.852 1.00 0.00 WT1 H ATOM 6427 OH2 TIP3 1148 2.151 0.736 10.964 1.00 0.00 WT1 O ATOM 6428 H1 TIP3 1148 14.087 10.973 5.476 1.00 0.00 WT1 H ATOM 6429 H2 TIP3 1148 -4.802 18.181 19.652 1.00 0.00 WT1 H ATOM 6430 OH2 TIP3 1149 -1.049 -2.093 1.790 1.00 0.00 WT1 O ATOM 6431 H1 TIP3 1149 3.430 9.451 20.662 1.00 0.00 WT1 H ATOM 6432 H2 TIP3 1149 15.019 -3.203 9.380 1.00 0.00 WT1 H ATOM 6433 OH2 TIP3 1151 -0.685 1.749 -0.571 1.00 0.00 WT1 O ATOM 6434 H1 TIP3 1151 0.084 8.043 -8.227 1.00 0.00 WT1 H ATOM 6435 H2 TIP3 1151 -10.865 -2.896 -12.166 1.00 0.00 WT1 H ATOM 6436 OH2 TIP3 1152 -10.156 -1.868 -6.082 1.00 0.00 WT1 O ATOM 6437 H1 TIP3 1152 -4.396 -22.156 -2.417 1.00 0.00 WT1 H ATOM 6438 H2 TIP3 1152 3.483 0.781 -4.577 1.00 0.00 WT1 H ATOM 6439 OH2 TIP3 1153 1.209 -0.950 -1.531 1.00 0.00 WT1 O ATOM 6440 H1 TIP3 1153 1.147 6.009 13.922 1.00 0.00 WT1 H ATOM 6441 H2 TIP3 1153 8.600 -26.949 -13.863 1.00 0.00 WT1 H ATOM 6442 OH2 TIP3 1154 -4.932 -0.552 0.882 1.00 0.00 WT1 O ATOM 6443 H1 TIP3 1154 -4.402 -9.590 -20.861 1.00 0.00 WT1 H ATOM 6444 H2 TIP3 1154 0.265 -4.687 21.879 1.00 0.00 WT1 H ATOM 6445 OH2 TIP3 1155 -3.569 -2.677 -4.189 1.00 0.00 WT1 O ATOM 6446 H1 TIP3 1155 -6.646 8.473 -6.507 1.00 0.00 WT1 H ATOM 6447 H2 TIP3 1155 3.221 -20.801 -1.196 1.00 0.00 WT1 H ATOM 6448 OH2 TIP3 1156 1.989 -8.770 -0.867 1.00 0.00 WT1 O ATOM 6449 H1 TIP3 1156 5.204 -9.797 -2.816 1.00 0.00 WT1 H ATOM 6450 H2 TIP3 1156 -35.087 -9.882 -6.014 1.00 0.00 WT1 H ATOM 6451 OH2 TIP3 1157 1.730 -2.552 -1.819 1.00 0.00 WT1 O ATOM 6452 H1 TIP3 1157 19.155 -12.340 23.696 1.00 0.00 WT1 H ATOM 6453 H2 TIP3 1157 0.072 -1.211 3.248 1.00 0.00 WT1 H ATOM 6454 OH2 TIP3 1158 -4.570 7.468 5.065 1.00 0.00 WT1 O ATOM 6455 H1 TIP3 1158 6.415 -8.593 -7.544 1.00 0.00 WT1 H ATOM 6456 H2 TIP3 1158 -5.240 -5.286 8.610 1.00 0.00 WT1 H ATOM 6457 OH2 TIP3 1159 2.876 -1.670 1.212 1.00 0.00 WT1 O ATOM 6458 H1 TIP3 1159 -7.175 1.697 8.476 1.00 0.00 WT1 H ATOM 6459 H2 TIP3 1159 -1.088 1.166 3.677 1.00 0.00 WT1 H ATOM 6460 OH2 TIP3 1160 0.389 -3.760 -6.057 1.00 0.00 WT1 O ATOM 6461 H1 TIP3 1160 8.232 -6.066 8.150 1.00 0.00 WT1 H ATOM 6462 H2 TIP3 1160 -1.186 -3.117 -5.904 1.00 0.00 WT1 H ATOM 6463 OH2 TIP3 1161 -5.844 -6.809 -2.009 1.00 0.00 WT1 O ATOM 6464 H1 TIP3 1161 4.913 -0.223 -10.394 1.00 0.00 WT1 H ATOM 6465 H2 TIP3 1161 9.255 4.321 -11.254 1.00 0.00 WT1 H ATOM 6466 OH2 TIP3 1162 0.297 1.124 -0.412 1.00 0.00 WT1 O ATOM 6467 H1 TIP3 1162 0.249 1.066 -0.176 1.00 0.00 WT1 H ATOM 6468 H2 TIP3 1162 14.016 2.132 -7.597 1.00 0.00 WT1 H ATOM 6469 OH2 TIP3 1163 -0.021 1.402 -1.452 1.00 0.00 WT1 O ATOM 6470 H1 TIP3 1163 0.657 10.520 11.996 1.00 0.00 WT1 H ATOM 6471 H2 TIP3 1163 5.187 4.246 -9.009 1.00 0.00 WT1 H ATOM 6472 OH2 TIP3 1164 -0.928 0.665 2.524 1.00 0.00 WT1 O ATOM 6473 H1 TIP3 1164 -1.380 1.963 5.335 1.00 0.00 WT1 H ATOM 6474 H2 TIP3 1164 1.476 -1.950 4.645 1.00 0.00 WT1 H ATOM 6475 OH2 TIP3 1165 -3.845 3.116 4.622 1.00 0.00 WT1 O ATOM 6476 H1 TIP3 1165 -8.061 12.999 -3.788 1.00 0.00 WT1 H ATOM 6477 H2 TIP3 1165 -10.686 13.090 -1.810 1.00 0.00 WT1 H ATOM 6478 OH2 TIP3 1166 0.219 -6.511 3.808 1.00 0.00 WT1 O ATOM 6479 H1 TIP3 1166 -13.618 -14.828 -5.170 1.00 0.00 WT1 H ATOM 6480 H2 TIP3 1166 14.272 -8.125 -6.977 1.00 0.00 WT1 H ATOM 6481 OH2 TIP3 1167 1.053 -2.111 -5.510 1.00 0.00 WT1 O ATOM 6482 H1 TIP3 1167 -25.396 -12.985 2.357 1.00 0.00 WT1 H ATOM 6483 H2 TIP3 1167 5.818 2.715 -13.052 1.00 0.00 WT1 H ATOM 6484 OH2 TIP3 1168 -1.304 -3.557 -5.591 1.00 0.00 WT1 O ATOM 6485 H1 TIP3 1168 3.661 -23.607 1.485 1.00 0.00 WT1 H ATOM 6486 H2 TIP3 1168 -9.038 -9.400 -0.908 1.00 0.00 WT1 H ATOM 6487 OH2 TIP3 1169 3.719 1.003 0.988 1.00 0.00 WT1 O ATOM 6488 H1 TIP3 1169 -0.409 -22.421 -7.560 1.00 0.00 WT1 H ATOM 6489 H2 TIP3 1169 12.310 1.107 -7.099 1.00 0.00 WT1 H ATOM 6490 OH2 TIP3 1170 -6.943 3.240 3.842 1.00 0.00 WT1 O ATOM 6491 H1 TIP3 1170 -14.618 -12.302 -8.987 1.00 0.00 WT1 H ATOM 6492 H2 TIP3 1170 -2.258 9.059 17.524 1.00 0.00 WT1 H ATOM 6493 OH2 TIP3 1171 2.742 0.771 -7.183 1.00 0.00 WT1 O ATOM 6494 H1 TIP3 1171 3.050 -0.242 -3.752 1.00 0.00 WT1 H ATOM 6495 H2 TIP3 1171 -3.650 3.961 0.625 1.00 0.00 WT1 H ATOM 6496 OH2 TIP3 1172 -2.501 -0.628 4.157 1.00 0.00 WT1 O ATOM 6497 H1 TIP3 1172 18.013 12.559 -6.900 1.00 0.00 WT1 H ATOM 6498 H2 TIP3 1172 -8.399 5.991 24.570 1.00 0.00 WT1 H ATOM 6499 OH2 TIP3 1173 -1.269 0.711 -5.783 1.00 0.00 WT1 O ATOM 6500 H1 TIP3 1173 -9.843 -19.822 -3.184 1.00 0.00 WT1 H ATOM 6501 H2 TIP3 1173 -6.283 3.719 1.199 1.00 0.00 WT1 H ATOM 6502 OH2 TIP3 1174 -0.910 -3.105 -0.322 1.00 0.00 WT1 O ATOM 6503 H1 TIP3 1174 -10.377 11.370 -0.905 1.00 0.00 WT1 H ATOM 6504 H2 TIP3 1174 3.264 1.199 14.603 1.00 0.00 WT1 H ATOM 6505 OH2 TIP3 1175 3.114 4.319 0.164 1.00 0.00 WT1 O ATOM 6506 H1 TIP3 1175 -11.799 -27.104 -8.205 1.00 0.00 WT1 H ATOM 6507 H2 TIP3 1175 17.114 -8.480 -0.984 1.00 0.00 WT1 H ATOM 6508 OH2 TIP3 1176 2.798 -0.417 1.678 1.00 0.00 WT1 O ATOM 6509 H1 TIP3 1176 -20.958 8.109 13.598 1.00 0.00 WT1 H ATOM 6510 H2 TIP3 1176 -18.954 12.012 10.090 1.00 0.00 WT1 H ATOM 6511 OH2 TIP3 1177 7.762 -5.921 3.348 1.00 0.00 WT1 O ATOM 6512 H1 TIP3 1177 14.069 -8.153 5.617 1.00 0.00 WT1 H ATOM 6513 H2 TIP3 1177 5.137 -5.158 17.019 1.00 0.00 WT1 H ATOM 6514 OH2 TIP3 1178 -3.809 -0.354 6.946 1.00 0.00 WT1 O ATOM 6515 H1 TIP3 1178 -3.373 -9.925 29.836 1.00 0.00 WT1 H ATOM 6516 H2 TIP3 1178 -16.636 5.938 14.654 1.00 0.00 WT1 H ATOM 6517 OH2 TIP3 1179 0.675 3.320 -1.297 1.00 0.00 WT1 O ATOM 6518 H1 TIP3 1179 7.342 6.491 13.314 1.00 0.00 WT1 H ATOM 6519 H2 TIP3 1179 0.041 7.412 -12.314 1.00 0.00 WT1 H ATOM 6520 OH2 TIP3 1180 4.484 -2.487 -0.943 1.00 0.00 WT1 O ATOM 6521 H1 TIP3 1180 -6.534 -5.053 6.400 1.00 0.00 WT1 H ATOM 6522 H2 TIP3 1180 9.740 -19.143 1.896 1.00 0.00 WT1 H ATOM 6523 OH2 TIP3 1181 -2.012 2.046 3.171 1.00 0.00 WT1 O ATOM 6524 H1 TIP3 1181 -11.685 20.701 -0.640 1.00 0.00 WT1 H ATOM 6525 H2 TIP3 1181 5.002 -17.016 34.898 1.00 0.00 WT1 H ATOM 6526 OH2 TIP3 1182 -7.246 4.859 1.061 1.00 0.00 WT1 O ATOM 6527 H1 TIP3 1182 0.284 -2.926 4.826 1.00 0.00 WT1 H ATOM 6528 H2 TIP3 1182 -2.165 14.352 4.728 1.00 0.00 WT1 H ATOM 6529 OH2 TIP3 1183 4.080 7.028 2.184 1.00 0.00 WT1 O ATOM 6530 H1 TIP3 1183 -7.579 8.921 -3.185 1.00 0.00 WT1 H ATOM 6531 H2 TIP3 1183 -15.728 3.592 -4.423 1.00 0.00 WT1 H ATOM 6532 OH2 TIP3 1184 3.165 -0.586 -4.534 1.00 0.00 WT1 O ATOM 6533 H1 TIP3 1184 9.888 1.844 -17.635 1.00 0.00 WT1 H ATOM 6534 H2 TIP3 1184 1.564 -8.611 -5.998 1.00 0.00 WT1 H ATOM 6535 OH2 TIP3 1185 7.142 -4.457 1.070 1.00 0.00 WT1 O ATOM 6536 H1 TIP3 1185 10.071 -13.317 16.825 1.00 0.00 WT1 H ATOM 6537 H2 TIP3 1185 6.875 2.583 -15.338 1.00 0.00 WT1 H ATOM 6538 OH2 TIP3 1186 1.425 5.588 2.618 1.00 0.00 WT1 O ATOM 6539 H1 TIP3 1186 -2.171 9.743 5.944 1.00 0.00 WT1 H ATOM 6540 H2 TIP3 1186 4.029 11.993 -9.462 1.00 0.00 WT1 H ATOM 6541 OH2 TIP3 1188 -5.186 1.946 2.159 1.00 0.00 WT1 O ATOM 6542 H1 TIP3 1188 -15.552 -8.898 -7.672 1.00 0.00 WT1 H ATOM 6543 H2 TIP3 1188 -6.813 -2.013 -3.242 1.00 0.00 WT1 H ATOM 6544 OH2 TIP3 1189 -2.304 0.845 6.375 1.00 0.00 WT1 O ATOM 6545 H1 TIP3 1189 2.666 -2.602 -4.350 1.00 0.00 WT1 H ATOM 6546 H2 TIP3 1189 5.345 -3.632 18.282 1.00 0.00 WT1 H ATOM 6547 OH2 TIP3 1190 -4.174 2.022 1.155 1.00 0.00 WT1 O ATOM 6548 H1 TIP3 1190 21.351 21.286 -8.174 1.00 0.00 WT1 H ATOM 6549 H2 TIP3 1190 -7.901 27.402 -24.622 1.00 0.00 WT1 H ATOM 6550 OH2 TIP3 1191 0.114 -7.865 -0.245 1.00 0.00 WT1 O ATOM 6551 H1 TIP3 1191 5.034 -18.723 -26.857 1.00 0.00 WT1 H ATOM 6552 H2 TIP3 1191 -7.389 12.350 -20.886 1.00 0.00 WT1 H ATOM 6553 OH2 TIP3 1192 -0.891 -2.262 -5.219 1.00 0.00 WT1 O ATOM 6554 H1 TIP3 1192 5.536 24.647 21.712 1.00 0.00 WT1 H ATOM 6555 H2 TIP3 1192 -4.000 -11.557 10.985 1.00 0.00 WT1 H ATOM 6556 OH2 TIP3 1194 -3.797 2.251 0.532 1.00 0.00 WT1 O ATOM 6557 H1 TIP3 1194 0.156 -3.585 4.401 1.00 0.00 WT1 H ATOM 6558 H2 TIP3 1194 13.146 -5.692 -16.458 1.00 0.00 WT1 H ATOM 6559 OH2 TIP3 1195 -1.546 -1.221 -2.430 1.00 0.00 WT1 O ATOM 6560 H1 TIP3 1195 -3.642 5.999 -10.938 1.00 0.00 WT1 H ATOM 6561 H2 TIP3 1195 -3.292 -1.175 3.841 1.00 0.00 WT1 H ATOM 6562 OH2 TIP3 1196 0.752 2.228 -0.355 1.00 0.00 WT1 O ATOM 6563 H1 TIP3 1196 24.903 -2.060 -7.516 1.00 0.00 WT1 H ATOM 6564 H2 TIP3 1196 -26.476 -0.637 -10.653 1.00 0.00 WT1 H ATOM 6565 OH2 TIP3 1197 0.331 0.654 -5.026 1.00 0.00 WT1 O ATOM 6566 H1 TIP3 1197 0.014 5.721 -46.378 1.00 0.00 WT1 H ATOM 6567 H2 TIP3 1197 18.523 16.464 5.206 1.00 0.00 WT1 H ATOM 6568 OH2 TIP3 1198 -6.902 -1.090 1.327 1.00 0.00 WT1 O ATOM 6569 H1 TIP3 1198 -11.017 6.520 14.979 1.00 0.00 WT1 H ATOM 6570 H2 TIP3 1198 -1.379 3.294 10.400 1.00 0.00 WT1 H ATOM 6571 OH2 TIP3 1199 -3.019 2.696 -3.266 1.00 0.00 WT1 O ATOM 6572 H1 TIP3 1199 -21.544 0.906 30.864 1.00 0.00 WT1 H ATOM 6573 H2 TIP3 1199 15.373 -8.150 -7.467 1.00 0.00 WT1 H ATOM 6574 OH2 TIP3 1200 2.966 -4.337 -3.280 1.00 0.00 WT1 O ATOM 6575 H1 TIP3 1200 -10.082 -13.449 5.637 1.00 0.00 WT1 H ATOM 6576 H2 TIP3 1200 -2.614 -1.005 5.697 1.00 0.00 WT1 H ATOM 6577 OH2 TIP3 1201 -5.376 2.895 2.999 1.00 0.00 WT1 O ATOM 6578 H1 TIP3 1201 -10.238 -2.710 5.019 1.00 0.00 WT1 H ATOM 6579 H2 TIP3 1201 14.218 -7.372 -8.030 1.00 0.00 WT1 H ATOM 6580 OH2 TIP3 1202 6.385 -2.572 -2.805 1.00 0.00 WT1 O ATOM 6581 H1 TIP3 1202 -9.589 -12.868 -11.966 1.00 0.00 WT1 H ATOM 6582 H2 TIP3 1202 18.828 5.122 4.819 1.00 0.00 WT1 H ATOM 6583 OH2 TIP3 1203 4.601 -1.095 2.367 1.00 0.00 WT1 O ATOM 6584 H1 TIP3 1203 10.629 -19.329 -0.287 1.00 0.00 WT1 H ATOM 6585 H2 TIP3 1203 11.387 -12.477 13.074 1.00 0.00 WT1 H ATOM 6586 OH2 TIP3 1204 5.249 9.887 -5.221 1.00 0.00 WT1 O ATOM 6587 H1 TIP3 1204 -0.712 14.050 -15.301 1.00 0.00 WT1 H ATOM 6588 H2 TIP3 1204 7.087 1.493 11.009 1.00 0.00 WT1 H ATOM 6589 OH2 TIP3 1205 0.239 2.033 7.378 1.00 0.00 WT1 O ATOM 6590 H1 TIP3 1205 0.666 -1.178 7.432 1.00 0.00 WT1 H ATOM 6591 H2 TIP3 1205 17.914 8.752 2.461 1.00 0.00 WT1 H ATOM 6592 OH2 TIP3 1206 -1.684 -0.216 5.806 1.00 0.00 WT1 O ATOM 6593 H1 TIP3 1206 5.525 1.281 9.842 1.00 0.00 WT1 H ATOM 6594 H2 TIP3 1206 8.582 12.361 7.354 1.00 0.00 WT1 H ATOM 6595 OH2 TIP3 1207 -1.393 -2.130 -1.125 1.00 0.00 WT1 O ATOM 6596 H1 TIP3 1207 -16.735 16.227 15.199 1.00 0.00 WT1 H ATOM 6597 H2 TIP3 1207 -8.886 -20.971 2.815 1.00 0.00 WT1 H ATOM 6598 OH2 TIP3 1208 -5.619 0.406 6.046 1.00 0.00 WT1 O ATOM 6599 H1 TIP3 1208 -23.357 12.262 13.108 1.00 0.00 WT1 H ATOM 6600 H2 TIP3 1208 7.015 -16.055 -12.693 1.00 0.00 WT1 H ATOM 6601 OH2 TIP3 1209 4.652 -9.945 -6.678 1.00 0.00 WT1 O ATOM 6602 H1 TIP3 1209 -0.997 -2.952 -0.111 1.00 0.00 WT1 H ATOM 6603 H2 TIP3 1209 -4.260 1.390 3.565 1.00 0.00 WT1 H ATOM 6604 OH2 TIP3 1210 -1.735 -2.379 5.510 1.00 0.00 WT1 O ATOM 6605 H1 TIP3 1210 -6.816 -8.525 7.975 1.00 0.00 WT1 H ATOM 6606 H2 TIP3 1210 0.871 3.929 24.355 1.00 0.00 WT1 H ATOM 6607 OH2 TIP3 1211 -0.815 -6.586 -6.074 1.00 0.00 WT1 O ATOM 6608 H1 TIP3 1211 -2.636 -11.378 -0.315 1.00 0.00 WT1 H ATOM 6609 H2 TIP3 1211 -1.173 -0.842 -10.505 1.00 0.00 WT1 H ATOM 6610 OH2 TIP3 1212 0.527 0.944 -0.247 1.00 0.00 WT1 O ATOM 6611 H1 TIP3 1212 -7.547 -2.462 4.014 1.00 0.00 WT1 H ATOM 6612 H2 TIP3 1212 7.926 1.432 -18.472 1.00 0.00 WT1 H ATOM 6613 OH2 TIP3 1213 1.704 -0.772 -1.459 1.00 0.00 WT1 O ATOM 6614 H1 TIP3 1213 2.668 -6.093 5.558 1.00 0.00 WT1 H ATOM 6615 H2 TIP3 1213 0.820 -22.299 -16.314 1.00 0.00 WT1 H ATOM 6616 OH2 TIP3 1214 6.088 3.802 -3.176 1.00 0.00 WT1 O ATOM 6617 H1 TIP3 1214 8.907 5.800 3.868 1.00 0.00 WT1 H ATOM 6618 H2 TIP3 1214 21.081 7.108 -15.463 1.00 0.00 WT1 H ATOM 6619 OH2 TIP3 1215 -0.712 -0.174 -2.421 1.00 0.00 WT1 O ATOM 6620 H1 TIP3 1215 22.645 -10.441 -24.596 1.00 0.00 WT1 H ATOM 6621 H2 TIP3 1215 -25.822 10.095 14.783 1.00 0.00 WT1 H ATOM 6622 OH2 TIP3 1216 -0.963 -1.477 -5.112 1.00 0.00 WT1 O ATOM 6623 H1 TIP3 1216 25.066 4.024 -1.881 1.00 0.00 WT1 H ATOM 6624 H2 TIP3 1216 5.427 -14.070 -2.471 1.00 0.00 WT1 H ATOM 6625 OH2 TIP3 1217 -3.977 1.036 -0.696 1.00 0.00 WT1 O ATOM 6626 H1 TIP3 1217 -2.805 9.047 -14.265 1.00 0.00 WT1 H ATOM 6627 H2 TIP3 1217 -16.465 -14.569 -4.875 1.00 0.00 WT1 H ATOM 6628 OH2 TIP3 1218 -1.644 3.050 -3.726 1.00 0.00 WT1 O ATOM 6629 H1 TIP3 1218 -10.485 7.152 -22.962 1.00 0.00 WT1 H ATOM 6630 H2 TIP3 1218 -9.543 -7.432 8.881 1.00 0.00 WT1 H ATOM 6631 OH2 TIP3 1219 -0.689 0.333 3.926 1.00 0.00 WT1 O ATOM 6632 H1 TIP3 1219 22.992 -9.632 29.312 1.00 0.00 WT1 H ATOM 6633 H2 TIP3 1219 -7.925 13.392 -17.668 1.00 0.00 WT1 H ATOM 6634 OH2 TIP3 1220 -3.202 -3.325 -4.713 1.00 0.00 WT1 O ATOM 6635 H1 TIP3 1220 1.412 0.656 19.514 1.00 0.00 WT1 H ATOM 6636 H2 TIP3 1220 -18.536 3.094 -12.672 1.00 0.00 WT1 H ATOM 6637 OH2 TIP3 1221 0.325 -4.074 -7.907 1.00 0.00 WT1 O ATOM 6638 H1 TIP3 1221 6.973 -7.682 4.717 1.00 0.00 WT1 H ATOM 6639 H2 TIP3 1221 -28.363 9.026 -9.180 1.00 0.00 WT1 H ATOM 6640 OH2 TIP3 1222 3.084 -1.124 -5.925 1.00 0.00 WT1 O ATOM 6641 H1 TIP3 1222 25.276 -3.847 8.520 1.00 0.00 WT1 H ATOM 6642 H2 TIP3 1222 6.356 17.707 0.686 1.00 0.00 WT1 H ATOM 6643 OH2 TIP3 1223 2.313 -1.735 2.034 1.00 0.00 WT1 O ATOM 6644 H1 TIP3 1223 4.610 -3.309 15.428 1.00 0.00 WT1 H ATOM 6645 H2 TIP3 1223 2.209 -17.489 -1.131 1.00 0.00 WT1 H ATOM 6646 OH2 TIP3 1224 1.709 5.430 -2.389 1.00 0.00 WT1 O ATOM 6647 H1 TIP3 1224 -13.935 1.909 5.008 1.00 0.00 WT1 H ATOM 6648 H2 TIP3 1224 -1.736 5.830 -3.816 1.00 0.00 WT1 H ATOM 6649 OH2 TIP3 1225 0.715 5.764 4.796 1.00 0.00 WT1 O ATOM 6650 H1 TIP3 1225 3.418 -12.605 -2.504 1.00 0.00 WT1 H ATOM 6651 H2 TIP3 1225 23.690 4.076 9.538 1.00 0.00 WT1 H ATOM 6652 OH2 TIP3 1226 -1.223 4.660 3.144 1.00 0.00 WT1 O ATOM 6653 H1 TIP3 1226 8.146 -9.548 -8.356 1.00 0.00 WT1 H ATOM 6654 H2 TIP3 1226 2.216 -7.419 -3.643 1.00 0.00 WT1 H ATOM 6655 OH2 TIP3 1227 0.154 -3.610 -0.781 1.00 0.00 WT1 O ATOM 6656 H1 TIP3 1227 -14.165 -2.963 11.502 1.00 0.00 WT1 H ATOM 6657 H2 TIP3 1227 -15.239 -5.689 6.460 1.00 0.00 WT1 H ATOM 6658 OH2 TIP3 1228 7.936 -3.036 3.444 1.00 0.00 WT1 O ATOM 6659 H1 TIP3 1228 1.479 -11.638 -2.001 1.00 0.00 WT1 H ATOM 6660 H2 TIP3 1228 -2.101 1.665 13.618 1.00 0.00 WT1 H ATOM 6661 OH2 TIP3 1229 -1.130 1.680 -4.421 1.00 0.00 WT1 O ATOM 6662 H1 TIP3 1229 8.796 -17.926 -10.214 1.00 0.00 WT1 H ATOM 6663 H2 TIP3 1229 -19.014 -11.468 18.236 1.00 0.00 WT1 H ATOM 6664 OH2 TIP3 1230 6.249 0.881 2.159 1.00 0.00 WT1 O ATOM 6665 H1 TIP3 1230 5.017 -10.315 3.964 1.00 0.00 WT1 H ATOM 6666 H2 TIP3 1230 0.292 12.981 -3.079 1.00 0.00 WT1 H ATOM 6667 OH2 TIP3 1231 8.665 -3.316 -0.328 1.00 0.00 WT1 O ATOM 6668 H1 TIP3 1231 -34.600 6.482 15.037 1.00 0.00 WT1 H ATOM 6669 H2 TIP3 1231 42.658 -1.009 3.669 1.00 0.00 WT1 H ATOM 6670 OH2 TIP3 1233 4.338 -3.002 -1.375 1.00 0.00 WT1 O ATOM 6671 H1 TIP3 1233 -3.137 15.116 -20.289 1.00 0.00 WT1 H ATOM 6672 H2 TIP3 1233 -8.576 2.112 -6.757 1.00 0.00 WT1 H ATOM 6673 OH2 TIP3 1234 -3.236 -2.205 -4.485 1.00 0.00 WT1 O ATOM 6674 H1 TIP3 1234 -10.225 4.637 3.144 1.00 0.00 WT1 H ATOM 6675 H2 TIP3 1234 1.872 -1.250 7.385 1.00 0.00 WT1 H ATOM 6676 OH2 TIP3 1235 -1.958 -4.402 2.856 1.00 0.00 WT1 O ATOM 6677 H1 TIP3 1235 -7.793 -18.167 6.599 1.00 0.00 WT1 H ATOM 6678 H2 TIP3 1235 0.258 -3.540 2.072 1.00 0.00 WT1 H ATOM 6679 OH2 TIP3 1236 3.402 -3.221 2.395 1.00 0.00 WT1 O ATOM 6680 H1 TIP3 1236 3.238 -11.065 -10.642 1.00 0.00 WT1 H ATOM 6681 H2 TIP3 1236 -2.696 10.292 30.167 1.00 0.00 WT1 H ATOM 6682 OH2 TIP3 1237 -1.199 -3.030 -2.549 1.00 0.00 WT1 O ATOM 6683 H1 TIP3 1237 1.570 4.706 3.151 1.00 0.00 WT1 H ATOM 6684 H2 TIP3 1237 -2.868 -8.939 -6.017 1.00 0.00 WT1 H ATOM 6685 OH2 TIP3 1238 4.208 1.782 -10.825 1.00 0.00 WT1 O ATOM 6686 H1 TIP3 1238 6.816 2.785 -12.591 1.00 0.00 WT1 H ATOM 6687 H2 TIP3 1238 2.391 4.025 -7.723 1.00 0.00 WT1 H ATOM 6688 OH2 TIP3 1239 -1.669 -2.834 -0.249 1.00 0.00 WT1 O ATOM 6689 H1 TIP3 1239 -36.071 -10.740 7.686 1.00 0.00 WT1 H ATOM 6690 H2 TIP3 1239 -9.845 -0.510 -3.442 1.00 0.00 WT1 H ATOM 6691 OH2 TIP3 1240 -0.547 -1.766 4.571 1.00 0.00 WT1 O ATOM 6692 H1 TIP3 1240 -0.799 -10.773 -3.079 1.00 0.00 WT1 H ATOM 6693 H2 TIP3 1240 8.463 14.271 1.943 1.00 0.00 WT1 H ATOM 6694 OH2 TIP3 1242 1.162 -10.294 0.474 1.00 0.00 WT1 O ATOM 6695 H1 TIP3 1242 0.931 -2.860 -5.097 1.00 0.00 WT1 H ATOM 6696 H2 TIP3 1242 4.322 -16.773 -5.863 1.00 0.00 WT1 H ATOM 6697 OH2 TIP3 1243 -9.666 6.851 2.900 1.00 0.00 WT1 O ATOM 6698 H1 TIP3 1243 -0.259 2.419 4.575 1.00 0.00 WT1 H ATOM 6699 H2 TIP3 1243 -16.339 -1.653 4.069 1.00 0.00 WT1 H ATOM 6700 OH2 TIP3 1244 -0.322 -1.573 -7.683 1.00 0.00 WT1 O ATOM 6701 H1 TIP3 1244 21.754 13.335 -5.484 1.00 0.00 WT1 H ATOM 6702 H2 TIP3 1244 7.043 -26.016 2.403 1.00 0.00 WT1 H ATOM 6703 OH2 TIP3 1245 -1.394 0.491 3.198 1.00 0.00 WT1 O ATOM 6704 H1 TIP3 1245 11.304 3.848 0.851 1.00 0.00 WT1 H ATOM 6705 H2 TIP3 1245 -10.306 3.541 0.250 1.00 0.00 WT1 H ATOM 6706 OH2 TIP3 1246 0.036 0.518 -3.182 1.00 0.00 WT1 O ATOM 6707 H1 TIP3 1246 7.075 -8.952 15.800 1.00 0.00 WT1 H ATOM 6708 H2 TIP3 1246 5.533 6.954 -9.235 1.00 0.00 WT1 H ATOM 6709 OH2 TIP3 1247 -2.929 -3.105 7.835 1.00 0.00 WT1 O ATOM 6710 H1 TIP3 1247 -18.851 -3.353 1.437 1.00 0.00 WT1 H ATOM 6711 H2 TIP3 1247 -1.330 3.951 16.759 1.00 0.00 WT1 H ATOM 6712 OH2 TIP3 1248 -1.491 -2.224 6.927 1.00 0.00 WT1 O ATOM 6713 H1 TIP3 1248 7.406 -8.007 17.066 1.00 0.00 WT1 H ATOM 6714 H2 TIP3 1248 -26.583 -7.765 0.882 1.00 0.00 WT1 H ATOM 6715 OH2 TIP3 1249 -2.093 5.998 1.919 1.00 0.00 WT1 O ATOM 6716 H1 TIP3 1249 8.765 -0.619 -1.723 1.00 0.00 WT1 H ATOM 6717 H2 TIP3 1249 1.578 5.600 23.519 1.00 0.00 WT1 H ATOM 6718 OH2 TIP3 1250 1.310 -3.183 5.469 1.00 0.00 WT1 O ATOM 6719 H1 TIP3 1250 -7.154 -8.298 -19.154 1.00 0.00 WT1 H ATOM 6720 H2 TIP3 1250 -14.809 -13.006 -17.976 1.00 0.00 WT1 H ATOM 6721 OH2 TIP3 1253 -2.595 1.986 3.153 1.00 0.00 WT1 O ATOM 6722 H1 TIP3 1253 -1.630 3.550 -8.589 1.00 0.00 WT1 H ATOM 6723 H2 TIP3 1253 -1.633 12.237 8.967 1.00 0.00 WT1 H ATOM 6724 OH2 TIP3 1254 2.101 3.747 -0.031 1.00 0.00 WT1 O ATOM 6725 H1 TIP3 1254 2.591 5.175 -0.988 1.00 0.00 WT1 H ATOM 6726 H2 TIP3 1254 4.541 1.927 -0.337 1.00 0.00 WT1 H ATOM 6727 OH2 TIP3 1255 -1.303 1.187 -10.194 1.00 0.00 WT1 O ATOM 6728 H1 TIP3 1255 -4.933 3.225 14.789 1.00 0.00 WT1 H ATOM 6729 H2 TIP3 1255 -5.864 4.528 -17.752 1.00 0.00 WT1 H ATOM 6730 OH2 TIP3 1256 2.508 2.919 0.258 1.00 0.00 WT1 O ATOM 6731 H1 TIP3 1256 -4.557 1.352 -0.669 1.00 0.00 WT1 H ATOM 6732 H2 TIP3 1256 6.039 3.496 -0.610 1.00 0.00 WT1 H ATOM 6733 OH2 TIP3 1257 0.840 -5.994 -0.391 1.00 0.00 WT1 O ATOM 6734 H1 TIP3 1257 20.945 -13.518 -5.706 1.00 0.00 WT1 H ATOM 6735 H2 TIP3 1257 12.983 0.734 9.257 1.00 0.00 WT1 H ATOM 6736 OH2 TIP3 1258 6.886 0.835 -2.806 1.00 0.00 WT1 O ATOM 6737 H1 TIP3 1258 14.916 -13.865 0.251 1.00 0.00 WT1 H ATOM 6738 H2 TIP3 1258 -8.472 1.198 5.997 1.00 0.00 WT1 H ATOM 6739 OH2 TIP3 1259 -2.765 -7.700 -0.907 1.00 0.00 WT1 O ATOM 6740 H1 TIP3 1259 -7.449 -1.096 29.861 1.00 0.00 WT1 H ATOM 6741 H2 TIP3 1259 3.420 -4.436 -4.558 1.00 0.00 WT1 H ATOM 6742 OH2 TIP3 1260 0.532 -7.452 0.425 1.00 0.00 WT1 O ATOM 6743 H1 TIP3 1260 19.565 12.987 24.594 1.00 0.00 WT1 H ATOM 6744 H2 TIP3 1260 7.642 10.274 20.001 1.00 0.00 WT1 H ATOM 6745 OH2 TIP3 1261 1.449 2.149 -0.485 1.00 0.00 WT1 O ATOM 6746 H1 TIP3 1261 4.803 2.133 -1.470 1.00 0.00 WT1 H ATOM 6747 H2 TIP3 1261 0.306 -8.311 4.930 1.00 0.00 WT1 H ATOM 6748 OH2 TIP3 1262 2.844 -1.304 3.745 1.00 0.00 WT1 O ATOM 6749 H1 TIP3 1262 10.697 -9.022 5.248 1.00 0.00 WT1 H ATOM 6750 H2 TIP3 1262 -8.156 24.396 18.164 1.00 0.00 WT1 H ATOM 6751 OH2 TIP3 1263 1.821 -2.042 7.841 1.00 0.00 WT1 O ATOM 6752 H1 TIP3 1263 12.625 -16.162 11.552 1.00 0.00 WT1 H ATOM 6753 H2 TIP3 1263 -4.969 4.398 -2.373 1.00 0.00 WT1 H ATOM 6754 OH2 TIP3 1264 4.276 2.121 4.289 1.00 0.00 WT1 O ATOM 6755 H1 TIP3 1264 -16.203 0.026 -0.317 1.00 0.00 WT1 H ATOM 6756 H2 TIP3 1264 -8.943 5.729 20.911 1.00 0.00 WT1 H ATOM 6757 OH2 TIP3 1265 -3.094 -5.763 6.321 1.00 0.00 WT1 O ATOM 6758 H1 TIP3 1265 -17.334 -11.595 27.698 1.00 0.00 WT1 H ATOM 6759 H2 TIP3 1265 -3.956 -27.719 11.402 1.00 0.00 WT1 H ATOM 6760 OH2 TIP3 1266 -4.868 0.071 -0.060 1.00 0.00 WT1 O ATOM 6761 H1 TIP3 1266 -12.212 10.012 -4.917 1.00 0.00 WT1 H ATOM 6762 H2 TIP3 1266 -14.764 -5.512 5.048 1.00 0.00 WT1 H ATOM 6763 OH2 TIP3 1267 -1.617 0.815 0.159 1.00 0.00 WT1 O ATOM 6764 H1 TIP3 1267 -1.382 7.851 3.226 1.00 0.00 WT1 H ATOM 6765 H2 TIP3 1267 -9.439 17.897 13.126 1.00 0.00 WT1 H ATOM 6766 OH2 TIP3 1268 -1.061 1.648 1.163 1.00 0.00 WT1 O ATOM 6767 H1 TIP3 1268 0.630 5.799 4.449 1.00 0.00 WT1 H ATOM 6768 H2 TIP3 1268 -1.836 -0.054 -0.852 1.00 0.00 WT1 H ATOM 6769 OH2 TIP3 1269 -1.312 -4.503 2.524 1.00 0.00 WT1 O ATOM 6770 H1 TIP3 1269 1.980 -7.880 -5.756 1.00 0.00 WT1 H ATOM 6771 H2 TIP3 1269 -13.825 -0.435 10.598 1.00 0.00 WT1 H ATOM 6772 OH2 TIP3 1270 6.628 5.634 4.042 1.00 0.00 WT1 O ATOM 6773 H1 TIP3 1270 17.562 0.540 12.128 1.00 0.00 WT1 H ATOM 6774 H2 TIP3 1270 -10.776 12.960 -6.756 1.00 0.00 WT1 H ATOM 6775 OH2 TIP3 1271 3.475 0.964 0.518 1.00 0.00 WT1 O ATOM 6776 H1 TIP3 1271 9.594 0.135 -13.090 1.00 0.00 WT1 H ATOM 6777 H2 TIP3 1271 8.188 0.499 4.001 1.00 0.00 WT1 H ATOM 6778 OH2 TIP3 1272 8.018 -3.294 -4.831 1.00 0.00 WT1 O ATOM 6779 H1 TIP3 1272 2.082 8.503 -2.871 1.00 0.00 WT1 H ATOM 6780 H2 TIP3 1272 9.108 5.577 -31.245 1.00 0.00 WT1 H ATOM 6781 OH2 TIP3 1273 -0.555 6.759 4.370 1.00 0.00 WT1 O ATOM 6782 H1 TIP3 1273 31.194 17.515 -4.353 1.00 0.00 WT1 H ATOM 6783 H2 TIP3 1273 3.020 -6.905 8.148 1.00 0.00 WT1 H ATOM 6784 OH2 TIP3 1274 4.791 3.618 0.948 1.00 0.00 WT1 O ATOM 6785 H1 TIP3 1274 7.866 10.429 -32.031 1.00 0.00 WT1 H ATOM 6786 H2 TIP3 1274 -7.082 -7.922 10.429 1.00 0.00 WT1 H ATOM 6787 OH2 TIP3 1275 -2.748 5.076 4.889 1.00 0.00 WT1 O ATOM 6788 H1 TIP3 1275 -16.896 -5.640 2.195 1.00 0.00 WT1 H ATOM 6789 H2 TIP3 1275 25.082 15.790 7.954 1.00 0.00 WT1 H ATOM 6790 OH2 TIP3 1276 -0.069 2.910 7.841 1.00 0.00 WT1 O ATOM 6791 H1 TIP3 1276 -26.015 34.817 -15.910 1.00 0.00 WT1 H ATOM 6792 H2 TIP3 1276 -31.797 18.542 -14.017 1.00 0.00 WT1 H ATOM 6793 OH2 TIP3 1277 -3.021 -6.365 -0.754 1.00 0.00 WT1 O ATOM 6794 H1 TIP3 1277 -1.860 8.248 -10.576 1.00 0.00 WT1 H ATOM 6795 H2 TIP3 1277 9.404 16.535 11.561 1.00 0.00 WT1 H ATOM 6796 OH2 TIP3 1278 3.096 0.399 -3.405 1.00 0.00 WT1 O ATOM 6797 H1 TIP3 1278 1.736 -7.428 28.874 1.00 0.00 WT1 H ATOM 6798 H2 TIP3 1278 1.368 11.564 5.936 1.00 0.00 WT1 H ATOM 6799 OH2 TIP3 1279 3.413 1.891 0.652 1.00 0.00 WT1 O ATOM 6800 H1 TIP3 1279 6.026 7.174 13.735 1.00 0.00 WT1 H ATOM 6801 H2 TIP3 1279 3.204 6.795 2.472 1.00 0.00 WT1 H ATOM 6802 OH2 TIP3 1281 -4.227 -5.243 -0.321 1.00 0.00 WT1 O ATOM 6803 H1 TIP3 1281 9.181 7.022 16.364 1.00 0.00 WT1 H ATOM 6804 H2 TIP3 1281 -21.980 -7.276 4.896 1.00 0.00 WT1 H ATOM 6805 OH2 TIP3 1282 5.897 1.918 -0.534 1.00 0.00 WT1 O ATOM 6806 H1 TIP3 1282 2.579 -6.416 19.853 1.00 0.00 WT1 H ATOM 6807 H2 TIP3 1282 -9.909 -17.203 -22.134 1.00 0.00 WT1 H ATOM 6808 OH2 TIP3 1283 4.309 5.772 -2.024 1.00 0.00 WT1 O ATOM 6809 H1 TIP3 1283 15.718 6.751 -9.176 1.00 0.00 WT1 H ATOM 6810 H2 TIP3 1283 -6.139 -9.107 5.934 1.00 0.00 WT1 H ATOM 6811 OH2 TIP3 1284 -2.436 -8.783 4.411 1.00 0.00 WT1 O ATOM 6812 H1 TIP3 1284 -22.784 5.146 -15.884 1.00 0.00 WT1 H ATOM 6813 H2 TIP3 1284 13.482 -21.667 13.854 1.00 0.00 WT1 H ATOM 6814 OH2 TIP3 1285 0.739 8.781 -0.011 1.00 0.00 WT1 O ATOM 6815 H1 TIP3 1285 9.841 -1.473 -2.888 1.00 0.00 WT1 H ATOM 6816 H2 TIP3 1285 6.525 13.310 16.716 1.00 0.00 WT1 H ATOM 6817 OH2 TIP3 1286 -2.604 -3.767 0.883 1.00 0.00 WT1 O ATOM 6818 H1 TIP3 1286 -7.199 -15.401 -14.581 1.00 0.00 WT1 H ATOM 6819 H2 TIP3 1286 9.981 -2.624 10.591 1.00 0.00 WT1 H ATOM 6820 OH2 TIP3 1287 3.745 -1.225 -3.985 1.00 0.00 WT1 O ATOM 6821 H1 TIP3 1287 12.692 15.283 -3.103 1.00 0.00 WT1 H ATOM 6822 H2 TIP3 1287 14.399 -8.040 10.359 1.00 0.00 WT1 H ATOM 6823 OH2 TIP3 1288 5.037 -2.745 -0.990 1.00 0.00 WT1 O ATOM 6824 H1 TIP3 1288 1.058 7.177 2.256 1.00 0.00 WT1 H ATOM 6825 H2 TIP3 1288 -0.118 -23.289 -2.375 1.00 0.00 WT1 H ATOM 6826 OH2 TIP3 1289 -2.941 -4.340 -5.310 1.00 0.00 WT1 O ATOM 6827 H1 TIP3 1289 -26.203 -7.488 0.888 1.00 0.00 WT1 H ATOM 6828 H2 TIP3 1289 -21.465 -2.048 -1.420 1.00 0.00 WT1 H ATOM 6829 OH2 TIP3 1290 5.375 -4.329 -1.682 1.00 0.00 WT1 O ATOM 6830 H1 TIP3 1290 -6.454 -8.587 9.502 1.00 0.00 WT1 H ATOM 6831 H2 TIP3 1290 13.536 2.807 -0.538 1.00 0.00 WT1 H ATOM 6832 OH2 TIP3 1291 -2.054 1.846 4.206 1.00 0.00 WT1 O ATOM 6833 H1 TIP3 1291 -9.573 5.999 0.693 1.00 0.00 WT1 H ATOM 6834 H2 TIP3 1291 -1.532 -6.318 3.557 1.00 0.00 WT1 H ATOM 6835 OH2 TIP3 1292 5.591 5.572 3.991 1.00 0.00 WT1 O ATOM 6836 H1 TIP3 1292 -0.846 11.131 -9.313 1.00 0.00 WT1 H ATOM 6837 H2 TIP3 1292 19.309 -1.039 -15.950 1.00 0.00 WT1 H ATOM 6838 OH2 TIP3 1293 -2.549 1.929 -6.563 1.00 0.00 WT1 O ATOM 6839 H1 TIP3 1293 19.300 9.025 11.227 1.00 0.00 WT1 H ATOM 6840 H2 TIP3 1293 18.591 7.801 -1.014 1.00 0.00 WT1 H ATOM 6841 OH2 TIP3 1295 3.258 -8.513 -3.009 1.00 0.00 WT1 O ATOM 6842 H1 TIP3 1295 16.836 27.088 -6.679 1.00 0.00 WT1 H ATOM 6843 H2 TIP3 1295 -22.284 -8.000 -10.637 1.00 0.00 WT1 H ATOM 6844 OH2 TIP3 1296 -0.387 -12.256 5.857 1.00 0.00 WT1 O ATOM 6845 H1 TIP3 1296 3.721 -13.022 -1.450 1.00 0.00 WT1 H ATOM 6846 H2 TIP3 1296 -4.596 -6.434 -1.319 1.00 0.00 WT1 H ATOM 6847 OH2 TIP3 1297 3.793 1.523 2.202 1.00 0.00 WT1 O ATOM 6848 H1 TIP3 1297 0.206 4.164 2.898 1.00 0.00 WT1 H ATOM 6849 H2 TIP3 1297 6.854 -3.990 10.020 1.00 0.00 WT1 H ATOM 6850 OH2 TIP3 1298 -1.721 3.582 -3.560 1.00 0.00 WT1 O ATOM 6851 H1 TIP3 1298 -12.678 -36.875 -18.269 1.00 0.00 WT1 H ATOM 6852 H2 TIP3 1298 6.677 0.923 4.924 1.00 0.00 WT1 H ATOM 6853 OH2 TIP3 1299 0.954 -0.492 1.138 1.00 0.00 WT1 O ATOM 6854 H1 TIP3 1299 -5.449 -0.067 -14.602 1.00 0.00 WT1 H ATOM 6855 H2 TIP3 1299 3.984 -5.509 -10.933 1.00 0.00 WT1 H ATOM 6856 OH2 TIP3 1300 1.789 -3.906 0.206 1.00 0.00 WT1 O ATOM 6857 H1 TIP3 1300 8.560 -11.349 0.893 1.00 0.00 WT1 H ATOM 6858 H2 TIP3 1300 7.614 6.428 -1.293 1.00 0.00 WT1 H ATOM 6859 OH2 TIP3 1301 3.413 -1.206 1.228 1.00 0.00 WT1 O ATOM 6860 H1 TIP3 1301 23.250 6.608 -19.739 1.00 0.00 WT1 H ATOM 6861 H2 TIP3 1301 17.242 -7.760 -20.187 1.00 0.00 WT1 H ATOM 6862 OH2 TIP3 1302 1.882 2.042 -0.330 1.00 0.00 WT1 O ATOM 6863 H1 TIP3 1302 -12.341 3.625 3.654 1.00 0.00 WT1 H ATOM 6864 H2 TIP3 1302 8.956 1.179 -2.051 1.00 0.00 WT1 H ATOM 6865 OH2 TIP3 1303 -1.934 1.642 -1.890 1.00 0.00 WT1 O ATOM 6866 H1 TIP3 1303 -8.619 -4.114 -18.391 1.00 0.00 WT1 H ATOM 6867 H2 TIP3 1303 9.284 9.090 -0.216 1.00 0.00 WT1 H ATOM 6868 OH2 TIP3 1304 3.094 -4.365 -0.129 1.00 0.00 WT1 O ATOM 6869 H1 TIP3 1304 -12.161 -14.872 -3.713 1.00 0.00 WT1 H ATOM 6870 H2 TIP3 1304 8.703 4.035 -16.172 1.00 0.00 WT1 H ATOM 6871 OH2 TIP3 1305 -2.008 -5.198 -0.336 1.00 0.00 WT1 O ATOM 6872 H1 TIP3 1305 -21.404 -10.030 -13.469 1.00 0.00 WT1 H ATOM 6873 H2 TIP3 1305 0.451 23.144 -5.128 1.00 0.00 WT1 H ATOM 6874 OH2 TIP3 1306 -1.544 -1.566 -8.174 1.00 0.00 WT1 O ATOM 6875 H1 TIP3 1306 6.945 -29.505 -21.169 1.00 0.00 WT1 H ATOM 6876 H2 TIP3 1306 2.003 -7.296 -8.593 1.00 0.00 WT1 H ATOM 6877 OH2 TIP3 1307 4.873 -0.047 0.662 1.00 0.00 WT1 O ATOM 6878 H1 TIP3 1307 2.070 -10.082 -1.788 1.00 0.00 WT1 H ATOM 6879 H2 TIP3 1307 9.603 -2.922 11.007 1.00 0.00 WT1 H ATOM 6880 OH2 TIP3 1308 -5.267 -0.358 -4.979 1.00 0.00 WT1 O ATOM 6881 H1 TIP3 1308 7.849 10.122 4.350 1.00 0.00 WT1 H ATOM 6882 H2 TIP3 1308 -3.572 -6.778 -8.807 1.00 0.00 WT1 H ATOM 6883 OH2 TIP3 1309 -2.509 3.285 1.133 1.00 0.00 WT1 O ATOM 6884 H1 TIP3 1309 -14.819 6.678 -26.678 1.00 0.00 WT1 H ATOM 6885 H2 TIP3 1309 12.644 1.772 -18.741 1.00 0.00 WT1 H ATOM 6886 OH2 TIP3 1311 -1.433 1.326 4.652 1.00 0.00 WT1 O ATOM 6887 H1 TIP3 1311 4.151 2.488 7.122 1.00 0.00 WT1 H ATOM 6888 H2 TIP3 1311 -6.942 -5.308 -3.483 1.00 0.00 WT1 H ATOM 6889 OH2 TIP3 1312 0.343 -6.640 -5.601 1.00 0.00 WT1 O ATOM 6890 H1 TIP3 1312 14.509 9.911 -15.540 1.00 0.00 WT1 H ATOM 6891 H2 TIP3 1312 2.525 -4.812 2.292 1.00 0.00 WT1 H ATOM 6892 OH2 TIP3 1313 3.529 0.062 -3.597 1.00 0.00 WT1 O ATOM 6893 H1 TIP3 1313 1.351 -6.099 3.855 1.00 0.00 WT1 H ATOM 6894 H2 TIP3 1313 -3.442 3.595 7.198 1.00 0.00 WT1 H ATOM 6895 OH2 TIP3 1314 1.785 4.476 6.617 1.00 0.00 WT1 O ATOM 6896 H1 TIP3 1314 -24.860 11.634 -18.202 1.00 0.00 WT1 H ATOM 6897 H2 TIP3 1314 13.099 -12.495 -23.474 1.00 0.00 WT1 H ATOM 6898 OH2 TIP3 1315 -4.259 -0.154 -1.264 1.00 0.00 WT1 O ATOM 6899 H1 TIP3 1315 -6.936 -14.074 -10.997 1.00 0.00 WT1 H ATOM 6900 H2 TIP3 1315 -4.700 -1.537 -2.164 1.00 0.00 WT1 H ATOM 6901 OH2 TIP3 1316 -1.667 -0.221 -0.566 1.00 0.00 WT1 O ATOM 6902 H1 TIP3 1316 0.084 -3.091 -7.372 1.00 0.00 WT1 H ATOM 6903 H2 TIP3 1316 -1.212 1.310 4.097 1.00 0.00 WT1 H ATOM 6904 OH2 TIP3 1317 -1.614 1.986 -1.983 1.00 0.00 WT1 O ATOM 6905 H1 TIP3 1317 -0.090 0.523 1.497 1.00 0.00 WT1 H ATOM 6906 H2 TIP3 1317 -2.297 -2.166 -7.854 1.00 0.00 WT1 H ATOM 6907 OH2 TIP3 1319 8.405 2.696 1.630 1.00 0.00 WT1 O ATOM 6908 H1 TIP3 1319 6.453 -13.507 6.831 1.00 0.00 WT1 H ATOM 6909 H2 TIP3 1319 -2.473 3.196 -9.795 1.00 0.00 WT1 H ATOM 6910 OH2 TIP3 1320 -0.840 3.223 1.458 1.00 0.00 WT1 O ATOM 6911 H1 TIP3 1320 15.905 -22.697 7.471 1.00 0.00 WT1 H ATOM 6912 H2 TIP3 1320 -1.317 0.873 1.614 1.00 0.00 WT1 H ATOM 6913 OH2 TIP3 1321 -2.741 -1.456 -0.441 1.00 0.00 WT1 O ATOM 6914 H1 TIP3 1321 -1.897 -0.166 0.942 1.00 0.00 WT1 H ATOM 6915 H2 TIP3 1321 -8.460 -1.894 0.710 1.00 0.00 WT1 H ATOM 6916 OH2 TIP3 1322 5.214 -0.526 5.072 1.00 0.00 WT1 O ATOM 6917 H1 TIP3 1322 2.599 9.770 6.780 1.00 0.00 WT1 H ATOM 6918 H2 TIP3 1322 -13.269 -7.150 32.867 1.00 0.00 WT1 H ATOM 6919 OH2 TIP3 1323 3.290 2.243 1.136 1.00 0.00 WT1 O ATOM 6920 H1 TIP3 1323 -13.300 -15.474 -24.178 1.00 0.00 WT1 H ATOM 6921 H2 TIP3 1323 -4.271 -13.888 -23.761 1.00 0.00 WT1 H ATOM 6922 OH2 TIP3 1324 -1.637 2.123 -0.604 1.00 0.00 WT1 O ATOM 6923 H1 TIP3 1324 -0.694 17.019 16.700 1.00 0.00 WT1 H ATOM 6924 H2 TIP3 1324 13.053 9.748 -14.610 1.00 0.00 WT1 H ATOM 6925 OH2 TIP3 1325 6.894 1.273 1.629 1.00 0.00 WT1 O ATOM 6926 H1 TIP3 1325 -6.204 3.725 7.434 1.00 0.00 WT1 H ATOM 6927 H2 TIP3 1325 7.810 -5.070 -3.420 1.00 0.00 WT1 H ATOM 6928 OH2 TIP3 1326 -1.123 -2.848 -0.200 1.00 0.00 WT1 O ATOM 6929 H1 TIP3 1326 -2.911 8.230 -14.302 1.00 0.00 WT1 H ATOM 6930 H2 TIP3 1326 -20.820 4.749 -9.943 1.00 0.00 WT1 H ATOM 6931 OH2 TIP3 1327 -0.444 2.664 -1.238 1.00 0.00 WT1 O ATOM 6932 H1 TIP3 1327 -11.194 7.476 9.074 1.00 0.00 WT1 H ATOM 6933 H2 TIP3 1327 -6.042 14.127 -11.628 1.00 0.00 WT1 H ATOM 6934 OH2 TIP3 1328 -0.252 5.404 1.304 1.00 0.00 WT1 O ATOM 6935 H1 TIP3 1328 4.682 5.442 0.226 1.00 0.00 WT1 H ATOM 6936 H2 TIP3 1328 -0.426 7.892 -1.883 1.00 0.00 WT1 H ATOM 6937 OH2 TIP3 1329 0.487 -0.444 -0.794 1.00 0.00 WT1 O ATOM 6938 H1 TIP3 1329 19.630 21.404 -8.181 1.00 0.00 WT1 H ATOM 6939 H2 TIP3 1329 19.508 7.779 -11.312 1.00 0.00 WT1 H ATOM 6940 OH2 TIP3 1330 8.705 2.666 -0.940 1.00 0.00 WT1 O ATOM 6941 H1 TIP3 1330 18.826 4.322 3.380 1.00 0.00 WT1 H ATOM 6942 H2 TIP3 1330 -33.410 -2.014 11.744 1.00 0.00 WT1 H ATOM 6943 OH2 TIP3 1332 -0.541 -1.258 -0.177 1.00 0.00 WT1 O ATOM 6944 H1 TIP3 1332 -8.046 13.063 -11.714 1.00 0.00 WT1 H ATOM 6945 H2 TIP3 1332 3.754 -9.768 7.284 1.00 0.00 WT1 H ATOM 6946 OH2 TIP3 1333 -12.573 -1.969 6.768 1.00 0.00 WT1 O ATOM 6947 H1 TIP3 1333 0.858 -7.852 -14.582 1.00 0.00 WT1 H ATOM 6948 H2 TIP3 1333 -11.535 6.805 -12.468 1.00 0.00 WT1 H ATOM 6949 OH2 TIP3 1334 4.534 0.781 -1.209 1.00 0.00 WT1 O ATOM 6950 H1 TIP3 1334 -10.946 -5.515 -1.106 1.00 0.00 WT1 H ATOM 6951 H2 TIP3 1334 16.636 -8.117 13.071 1.00 0.00 WT1 H ATOM 6952 OH2 TIP3 1335 2.244 -0.521 -0.524 1.00 0.00 WT1 O ATOM 6953 H1 TIP3 1335 -2.762 -1.558 -3.648 1.00 0.00 WT1 H ATOM 6954 H2 TIP3 1335 2.279 -5.832 2.939 1.00 0.00 WT1 H ATOM 6955 OH2 TIP3 1336 -1.001 3.954 1.030 1.00 0.00 WT1 O ATOM 6956 H1 TIP3 1336 -3.991 -0.089 -6.037 1.00 0.00 WT1 H ATOM 6957 H2 TIP3 1336 5.645 5.951 -2.318 1.00 0.00 WT1 H ATOM 6958 OH2 TIP3 1337 0.147 -2.545 5.243 1.00 0.00 WT1 O ATOM 6959 H1 TIP3 1337 0.456 13.930 -11.531 1.00 0.00 WT1 H ATOM 6960 H2 TIP3 1337 1.385 -2.910 11.153 1.00 0.00 WT1 H ATOM 6961 OH2 TIP3 1338 -6.656 -0.091 -4.010 1.00 0.00 WT1 O ATOM 6962 H1 TIP3 1338 -23.172 -14.867 -13.369 1.00 0.00 WT1 H ATOM 6963 H2 TIP3 1338 -17.734 -13.156 11.015 1.00 0.00 WT1 H ATOM 6964 OH2 TIP3 1339 -3.245 3.481 -1.939 1.00 0.00 WT1 O ATOM 6965 H1 TIP3 1339 -4.298 -9.765 -13.111 1.00 0.00 WT1 H ATOM 6966 H2 TIP3 1339 -11.597 16.890 -2.854 1.00 0.00 WT1 H ATOM 6967 OH2 TIP3 1340 -3.169 -0.778 7.898 1.00 0.00 WT1 O ATOM 6968 H1 TIP3 1340 -4.712 -10.774 -9.307 1.00 0.00 WT1 H ATOM 6969 H2 TIP3 1340 -3.439 -29.407 -8.786 1.00 0.00 WT1 H ATOM 6970 OH2 TIP3 1342 0.678 4.120 -0.608 1.00 0.00 WT1 O ATOM 6971 H1 TIP3 1342 7.323 5.573 0.273 1.00 0.00 WT1 H ATOM 6972 H2 TIP3 1342 4.341 -13.970 -18.749 1.00 0.00 WT1 H ATOM 6973 OH2 TIP3 1343 -4.956 2.227 1.618 1.00 0.00 WT1 O ATOM 6974 H1 TIP3 1343 -16.558 13.130 7.931 1.00 0.00 WT1 H ATOM 6975 H2 TIP3 1343 -16.414 14.780 8.889 1.00 0.00 WT1 H ATOM 6976 OH2 TIP3 1344 0.286 -7.569 -1.549 1.00 0.00 WT1 O ATOM 6977 H1 TIP3 1344 -7.010 -8.711 1.588 1.00 0.00 WT1 H ATOM 6978 H2 TIP3 1344 -2.677 -8.485 -2.624 1.00 0.00 WT1 H ATOM 6979 OH2 TIP3 1345 1.197 2.482 3.148 1.00 0.00 WT1 O ATOM 6980 H1 TIP3 1345 4.628 7.773 -2.782 1.00 0.00 WT1 H ATOM 6981 H2 TIP3 1345 -19.559 -33.633 -2.123 1.00 0.00 WT1 H ATOM 6982 OH2 TIP3 1346 -6.668 -1.350 1.491 1.00 0.00 WT1 O ATOM 6983 H1 TIP3 1346 -6.731 0.735 6.105 1.00 0.00 WT1 H ATOM 6984 H2 TIP3 1346 28.066 -23.266 13.811 1.00 0.00 WT1 H ATOM 6985 OH2 TIP3 1347 4.412 -2.966 0.121 1.00 0.00 WT1 O ATOM 6986 H1 TIP3 1347 11.116 -15.159 -13.396 1.00 0.00 WT1 H ATOM 6987 H2 TIP3 1347 2.048 14.293 -8.298 1.00 0.00 WT1 H ATOM 6988 OH2 TIP3 1348 2.080 -0.429 2.792 1.00 0.00 WT1 O ATOM 6989 H1 TIP3 1348 -1.680 11.966 -4.044 1.00 0.00 WT1 H ATOM 6990 H2 TIP3 1348 -4.848 -1.494 -4.443 1.00 0.00 WT1 H ATOM 6991 OH2 TIP3 1349 0.381 0.075 -6.834 1.00 0.00 WT1 O ATOM 6992 H1 TIP3 1349 -1.362 42.576 -8.022 1.00 0.00 WT1 H ATOM 6993 H2 TIP3 1349 -12.015 -6.877 -7.118 1.00 0.00 WT1 H ATOM 6994 OH2 TIP3 1350 1.523 -2.799 -0.777 1.00 0.00 WT1 O ATOM 6995 H1 TIP3 1350 3.962 2.262 4.988 1.00 0.00 WT1 H ATOM 6996 H2 TIP3 1350 -8.338 -4.021 -7.343 1.00 0.00 WT1 H ATOM 6997 OH2 TIP3 1351 3.295 1.410 -2.776 1.00 0.00 WT1 O ATOM 6998 H1 TIP3 1351 3.610 -0.324 4.521 1.00 0.00 WT1 H ATOM 6999 H2 TIP3 1351 3.404 6.461 -20.205 1.00 0.00 WT1 H ATOM 7000 OH2 TIP3 1352 0.318 -7.276 4.630 1.00 0.00 WT1 O ATOM 7001 H1 TIP3 1352 5.221 -3.859 9.021 1.00 0.00 WT1 H ATOM 7002 H2 TIP3 1352 2.363 -8.758 5.512 1.00 0.00 WT1 H ATOM 7003 OH2 TIP3 1353 0.992 0.602 -3.082 1.00 0.00 WT1 O ATOM 7004 H1 TIP3 1353 -8.070 2.098 -2.661 1.00 0.00 WT1 H ATOM 7005 H2 TIP3 1353 4.315 -1.758 8.694 1.00 0.00 WT1 H ATOM 7006 OH2 TIP3 1354 -1.764 -1.855 -2.883 1.00 0.00 WT1 O ATOM 7007 H1 TIP3 1354 -8.252 -19.159 -15.967 1.00 0.00 WT1 H ATOM 7008 H2 TIP3 1354 -8.715 4.378 -19.369 1.00 0.00 WT1 H ATOM 7009 OH2 TIP3 1355 0.134 -2.623 5.063 1.00 0.00 WT1 O ATOM 7010 H1 TIP3 1355 -26.325 10.863 25.902 1.00 0.00 WT1 H ATOM 7011 H2 TIP3 1355 15.426 -26.273 1.705 1.00 0.00 WT1 H ATOM 7012 OH2 TIP3 1356 1.589 -2.290 -2.026 1.00 0.00 WT1 O ATOM 7013 H1 TIP3 1356 14.173 2.650 -11.099 1.00 0.00 WT1 H ATOM 7014 H2 TIP3 1356 -9.321 -5.983 0.771 1.00 0.00 WT1 H ATOM 7015 OH2 TIP3 1357 0.877 3.927 6.951 1.00 0.00 WT1 O ATOM 7016 H1 TIP3 1357 5.025 11.311 8.578 1.00 0.00 WT1 H ATOM 7017 H2 TIP3 1357 -4.528 5.957 2.496 1.00 0.00 WT1 H ATOM 7018 OH2 TIP3 1358 -5.671 1.811 -3.162 1.00 0.00 WT1 O ATOM 7019 H1 TIP3 1358 12.118 -18.310 -16.136 1.00 0.00 WT1 H ATOM 7020 H2 TIP3 1358 11.620 6.779 -3.903 1.00 0.00 WT1 H ATOM 7021 OH2 TIP3 1359 2.849 -1.730 5.432 1.00 0.00 WT1 O ATOM 7022 H1 TIP3 1359 -12.331 -21.355 10.573 1.00 0.00 WT1 H ATOM 7023 H2 TIP3 1359 1.343 -6.107 0.655 1.00 0.00 WT1 H ATOM 7024 OH2 TIP3 1360 1.207 1.334 5.503 1.00 0.00 WT1 O ATOM 7025 H1 TIP3 1360 5.688 -4.154 -5.538 1.00 0.00 WT1 H ATOM 7026 H2 TIP3 1360 -3.317 5.268 15.235 1.00 0.00 WT1 H ATOM 7027 OH2 TIP3 1361 0.643 -0.721 -4.813 1.00 0.00 WT1 O ATOM 7028 H1 TIP3 1361 -0.517 -2.454 -7.157 1.00 0.00 WT1 H ATOM 7029 H2 TIP3 1361 6.151 5.073 3.018 1.00 0.00 WT1 H ATOM 7030 OH2 TIP3 1362 -5.957 -5.326 -6.271 1.00 0.00 WT1 O ATOM 7031 H1 TIP3 1362 -29.823 -13.670 5.302 1.00 0.00 WT1 H ATOM 7032 H2 TIP3 1362 -3.447 -2.788 -7.226 1.00 0.00 WT1 H ATOM 7033 OH2 TIP3 1363 -1.359 2.107 -1.041 1.00 0.00 WT1 O ATOM 7034 H1 TIP3 1363 -9.142 10.485 3.984 1.00 0.00 WT1 H ATOM 7035 H2 TIP3 1363 10.925 -4.227 -6.163 1.00 0.00 WT1 H ATOM 7036 OH2 TIP3 1364 -3.978 6.004 1.984 1.00 0.00 WT1 O ATOM 7037 H1 TIP3 1364 3.342 -2.396 -8.939 1.00 0.00 WT1 H ATOM 7038 H2 TIP3 1364 -6.969 25.323 -5.608 1.00 0.00 WT1 H ATOM 7039 OH2 TIP3 1365 -2.382 0.873 -1.800 1.00 0.00 WT1 O ATOM 7040 H1 TIP3 1365 23.035 -10.538 2.300 1.00 0.00 WT1 H ATOM 7041 H2 TIP3 1365 11.175 -4.096 0.925 1.00 0.00 WT1 H ATOM 7042 OH2 TIP3 1366 1.393 3.002 2.289 1.00 0.00 WT1 O ATOM 7043 H1 TIP3 1366 -1.718 9.635 -5.917 1.00 0.00 WT1 H ATOM 7044 H2 TIP3 1366 2.431 -3.193 5.723 1.00 0.00 WT1 H ATOM 7045 OH2 TIP3 1367 -2.110 -6.708 3.887 1.00 0.00 WT1 O ATOM 7046 H1 TIP3 1367 -4.315 -0.030 5.762 1.00 0.00 WT1 H ATOM 7047 H2 TIP3 1367 -8.488 -10.429 1.289 1.00 0.00 WT1 H ATOM 7048 OH2 TIP3 1368 -2.088 1.209 -1.290 1.00 0.00 WT1 O ATOM 7049 H1 TIP3 1368 -6.801 -17.471 23.100 1.00 0.00 WT1 H ATOM 7050 H2 TIP3 1368 -2.143 3.742 -7.933 1.00 0.00 WT1 H ATOM 7051 OH2 TIP3 1369 -3.547 3.277 -0.165 1.00 0.00 WT1 O ATOM 7052 H1 TIP3 1369 -10.449 2.062 -8.444 1.00 0.00 WT1 H ATOM 7053 H2 TIP3 1369 1.519 -0.678 -4.489 1.00 0.00 WT1 H ATOM 7054 OH2 TIP3 1370 -7.437 -3.810 -2.285 1.00 0.00 WT1 O ATOM 7055 H1 TIP3 1370 -9.909 -5.468 7.770 1.00 0.00 WT1 H ATOM 7056 H2 TIP3 1370 -12.398 -10.239 -11.959 1.00 0.00 WT1 H ATOM 7057 OH2 TIP3 1371 -0.189 0.302 3.169 1.00 0.00 WT1 O ATOM 7058 H1 TIP3 1371 -10.443 -6.810 -12.591 1.00 0.00 WT1 H ATOM 7059 H2 TIP3 1371 31.468 0.699 9.788 1.00 0.00 WT1 H ATOM 7060 OH2 TIP3 1372 -3.582 3.203 -3.827 1.00 0.00 WT1 O ATOM 7061 H1 TIP3 1372 -2.793 -13.746 14.366 1.00 0.00 WT1 H ATOM 7062 H2 TIP3 1372 16.288 12.437 13.824 1.00 0.00 WT1 H ATOM 7063 OH2 TIP3 1373 3.279 1.433 -0.927 1.00 0.00 WT1 O ATOM 7064 H1 TIP3 1373 13.153 14.095 -0.383 1.00 0.00 WT1 H ATOM 7065 H2 TIP3 1373 0.810 -2.723 -0.769 1.00 0.00 WT1 H ATOM 7066 OH2 TIP3 1374 -2.013 5.463 -2.683 1.00 0.00 WT1 O ATOM 7067 H1 TIP3 1374 1.892 26.046 -8.700 1.00 0.00 WT1 H ATOM 7068 H2 TIP3 1374 -4.186 1.546 -15.484 1.00 0.00 WT1 H ATOM 7069 OH2 TIP3 1375 2.017 4.694 -4.691 1.00 0.00 WT1 O ATOM 7070 H1 TIP3 1375 8.877 7.880 -27.352 1.00 0.00 WT1 H ATOM 7071 H2 TIP3 1375 6.598 3.993 3.804 1.00 0.00 WT1 H ATOM 7072 OH2 TIP3 1376 -3.845 -0.463 -2.158 1.00 0.00 WT1 O ATOM 7073 H1 TIP3 1376 3.559 -12.374 9.849 1.00 0.00 WT1 H ATOM 7074 H2 TIP3 1376 4.451 -2.186 -15.149 1.00 0.00 WT1 H ATOM 7075 OH2 TIP3 1377 -1.613 3.998 -9.072 1.00 0.00 WT1 O ATOM 7076 H1 TIP3 1377 -0.807 9.672 -19.528 1.00 0.00 WT1 H ATOM 7077 H2 TIP3 1377 -1.426 7.636 -10.691 1.00 0.00 WT1 H ATOM 7078 OH2 TIP3 1378 2.215 -6.684 -5.300 1.00 0.00 WT1 O ATOM 7079 H1 TIP3 1378 12.590 5.777 -10.824 1.00 0.00 WT1 H ATOM 7080 H2 TIP3 1378 1.498 -20.867 9.217 1.00 0.00 WT1 H ATOM 7081 OH2 TIP3 1379 5.666 -4.252 -0.801 1.00 0.00 WT1 O ATOM 7082 H1 TIP3 1379 13.705 1.555 23.994 1.00 0.00 WT1 H ATOM 7083 H2 TIP3 1379 -9.528 9.845 15.943 1.00 0.00 WT1 H ATOM 7084 OH2 TIP3 1380 1.689 1.203 -1.996 1.00 0.00 WT1 O ATOM 7085 H1 TIP3 1380 -6.219 3.986 -4.136 1.00 0.00 WT1 H ATOM 7086 H2 TIP3 1380 18.184 -4.958 5.406 1.00 0.00 WT1 H ATOM 7087 OH2 TIP3 1381 -0.891 -4.408 -2.741 1.00 0.00 WT1 O ATOM 7088 H1 TIP3 1381 3.971 -35.796 6.826 1.00 0.00 WT1 H ATOM 7089 H2 TIP3 1381 -22.233 8.197 -19.687 1.00 0.00 WT1 H ATOM 7090 OH2 TIP3 1382 -6.388 1.578 2.067 1.00 0.00 WT1 O ATOM 7091 H1 TIP3 1382 10.303 4.338 5.488 1.00 0.00 WT1 H ATOM 7092 H2 TIP3 1382 -2.421 -6.941 -14.710 1.00 0.00 WT1 H ATOM 7093 OH2 TIP3 1383 -1.314 -2.545 3.161 1.00 0.00 WT1 O ATOM 7094 H1 TIP3 1383 -6.830 -2.721 -4.096 1.00 0.00 WT1 H ATOM 7095 H2 TIP3 1383 3.680 4.836 -5.612 1.00 0.00 WT1 H ATOM 7096 OH2 TIP3 1384 -3.361 -9.265 0.304 1.00 0.00 WT1 O ATOM 7097 H1 TIP3 1384 1.975 -0.730 3.232 1.00 0.00 WT1 H ATOM 7098 H2 TIP3 1384 -9.184 -17.767 -1.604 1.00 0.00 WT1 H ATOM 7099 OH2 TIP3 1385 -0.984 8.421 0.320 1.00 0.00 WT1 O ATOM 7100 H1 TIP3 1385 -1.274 8.193 1.624 1.00 0.00 WT1 H ATOM 7101 H2 TIP3 1385 -22.258 1.020 4.093 1.00 0.00 WT1 H ATOM 7102 OH2 TIP3 1387 -10.652 -1.769 -3.625 1.00 0.00 WT1 O ATOM 7103 H1 TIP3 1387 -52.445 -26.617 10.248 1.00 0.00 WT1 H ATOM 7104 H2 TIP3 1387 -28.052 22.325 11.379 1.00 0.00 WT1 H ATOM 7105 OH2 TIP3 1388 -1.319 2.561 -1.129 1.00 0.00 WT1 O ATOM 7106 H1 TIP3 1388 -19.698 -15.763 8.806 1.00 0.00 WT1 H ATOM 7107 H2 TIP3 1388 -10.544 -4.141 -14.158 1.00 0.00 WT1 H ATOM 7108 OH2 TIP3 1389 2.688 -1.617 0.906 1.00 0.00 WT1 O ATOM 7109 H1 TIP3 1389 -6.880 16.165 1.496 1.00 0.00 WT1 H ATOM 7110 H2 TIP3 1389 4.403 5.900 -14.391 1.00 0.00 WT1 H ATOM 7111 OH2 TIP3 1390 6.048 -2.140 -5.423 1.00 0.00 WT1 O ATOM 7112 H1 TIP3 1390 3.849 -3.816 -7.450 1.00 0.00 WT1 H ATOM 7113 H2 TIP3 1390 -3.002 -10.813 -11.656 1.00 0.00 WT1 H ATOM 7114 OH2 TIP3 1391 2.323 0.114 -3.609 1.00 0.00 WT1 O ATOM 7115 H1 TIP3 1391 0.545 -6.070 -5.444 1.00 0.00 WT1 H ATOM 7116 H2 TIP3 1391 7.092 -4.692 -5.891 1.00 0.00 WT1 H ATOM 7117 OH2 TIP3 1392 2.301 -2.209 5.949 1.00 0.00 WT1 O ATOM 7118 H1 TIP3 1392 14.269 3.999 7.068 1.00 0.00 WT1 H ATOM 7119 H2 TIP3 1392 -4.875 3.103 -2.833 1.00 0.00 WT1 H ATOM 7120 OH2 TIP3 1393 1.211 -0.699 5.999 1.00 0.00 WT1 O ATOM 7121 H1 TIP3 1393 -4.542 0.055 -0.791 1.00 0.00 WT1 H ATOM 7122 H2 TIP3 1393 3.742 -16.609 -2.923 1.00 0.00 WT1 H ATOM 7123 OH2 TIP3 1394 1.977 -0.955 4.773 1.00 0.00 WT1 O ATOM 7124 H1 TIP3 1394 -16.707 -16.813 12.828 1.00 0.00 WT1 H ATOM 7125 H2 TIP3 1394 3.887 5.674 6.897 1.00 0.00 WT1 H ATOM 7126 OH2 TIP3 1395 -0.996 -2.495 -1.934 1.00 0.00 WT1 O ATOM 7127 H1 TIP3 1395 2.020 1.318 -4.067 1.00 0.00 WT1 H ATOM 7128 H2 TIP3 1395 -6.919 -9.581 -6.387 1.00 0.00 WT1 H ATOM 7129 OH2 TIP3 1396 -3.492 1.929 4.127 1.00 0.00 WT1 O ATOM 7130 H1 TIP3 1396 7.510 -1.647 2.405 1.00 0.00 WT1 H ATOM 7131 H2 TIP3 1396 -11.126 8.785 -4.576 1.00 0.00 WT1 H ATOM 7132 OH2 TIP3 1397 -0.257 -7.586 3.380 1.00 0.00 WT1 O ATOM 7133 H1 TIP3 1397 -17.659 -17.318 28.393 1.00 0.00 WT1 H ATOM 7134 H2 TIP3 1397 -2.675 -7.732 6.920 1.00 0.00 WT1 H ATOM 7135 OH2 TIP3 1398 -2.720 -0.145 -6.319 1.00 0.00 WT1 O ATOM 7136 H1 TIP3 1398 -13.803 -2.498 -3.759 1.00 0.00 WT1 H ATOM 7137 H2 TIP3 1398 -19.062 -5.367 7.002 1.00 0.00 WT1 H ATOM 7138 OH2 TIP3 1399 3.412 -1.747 7.427 1.00 0.00 WT1 O ATOM 7139 H1 TIP3 1399 2.506 -10.166 5.185 1.00 0.00 WT1 H ATOM 7140 H2 TIP3 1399 -1.808 -8.618 5.715 1.00 0.00 WT1 H ATOM 7141 OH2 TIP3 1400 -7.048 -3.129 0.729 1.00 0.00 WT1 O ATOM 7142 H1 TIP3 1400 -17.327 -24.258 4.570 1.00 0.00 WT1 H ATOM 7143 H2 TIP3 1400 -7.010 -1.389 0.637 1.00 0.00 WT1 H ATOM 7144 OH2 TIP3 1401 -2.378 -2.713 -7.256 1.00 0.00 WT1 O ATOM 7145 H1 TIP3 1401 20.847 9.025 -8.606 1.00 0.00 WT1 H ATOM 7146 H2 TIP3 1401 -9.439 7.461 -18.276 1.00 0.00 WT1 H ATOM 7147 OH2 TIP3 1402 3.683 -1.300 -1.082 1.00 0.00 WT1 O ATOM 7148 H1 TIP3 1402 -4.373 11.030 3.476 1.00 0.00 WT1 H ATOM 7149 H2 TIP3 1402 15.500 -9.771 -7.488 1.00 0.00 WT1 H ATOM 7150 OH2 TIP3 1403 8.753 3.549 0.093 1.00 0.00 WT1 O ATOM 7151 H1 TIP3 1403 12.186 2.996 -0.251 1.00 0.00 WT1 H ATOM 7152 H2 TIP3 1403 8.254 1.672 -0.789 1.00 0.00 WT1 H ATOM 7153 OH2 TIP3 1404 1.878 1.387 -2.445 1.00 0.00 WT1 O ATOM 7154 H1 TIP3 1404 12.951 -4.869 -12.941 1.00 0.00 WT1 H ATOM 7155 H2 TIP3 1404 -11.903 -0.983 -10.730 1.00 0.00 WT1 H ATOM 7156 OH2 TIP3 1405 -5.623 -1.503 -5.957 1.00 0.00 WT1 O ATOM 7157 H1 TIP3 1405 24.277 6.023 -13.218 1.00 0.00 WT1 H ATOM 7158 H2 TIP3 1405 -9.619 -15.267 29.625 1.00 0.00 WT1 H ATOM 7159 OH2 TIP3 1406 -0.813 -6.372 -1.478 1.00 0.00 WT1 O ATOM 7160 H1 TIP3 1406 8.656 -12.510 -3.834 1.00 0.00 WT1 H ATOM 7161 H2 TIP3 1406 -2.631 5.958 -12.689 1.00 0.00 WT1 H ATOM 7162 OH2 TIP3 1407 5.940 1.833 6.163 1.00 0.00 WT1 O ATOM 7163 H1 TIP3 1407 9.770 -4.982 9.851 1.00 0.00 WT1 H ATOM 7164 H2 TIP3 1407 5.400 13.234 6.491 1.00 0.00 WT1 H ATOM 7165 OH2 TIP3 1408 -3.705 -9.125 1.348 1.00 0.00 WT1 O ATOM 7166 H1 TIP3 1408 -8.307 -13.889 -12.836 1.00 0.00 WT1 H ATOM 7167 H2 TIP3 1408 -7.270 3.051 6.172 1.00 0.00 WT1 H ATOM 7168 OH2 TIP3 1409 3.311 2.717 -3.088 1.00 0.00 WT1 O ATOM 7169 H1 TIP3 1409 24.812 6.977 -12.735 1.00 0.00 WT1 H ATOM 7170 H2 TIP3 1409 0.549 2.331 -2.283 1.00 0.00 WT1 H ATOM 7171 OH2 TIP3 1410 3.998 1.701 -4.942 1.00 0.00 WT1 O ATOM 7172 H1 TIP3 1410 -23.403 23.890 -7.423 1.00 0.00 WT1 H ATOM 7173 H2 TIP3 1410 27.086 6.034 -20.795 1.00 0.00 WT1 H ATOM 7174 OH2 TIP3 1411 -0.012 -3.227 -5.005 1.00 0.00 WT1 O ATOM 7175 H1 TIP3 1411 -4.591 -19.081 -4.196 1.00 0.00 WT1 H ATOM 7176 H2 TIP3 1411 -1.095 5.381 2.389 1.00 0.00 WT1 H ATOM 7177 OH2 TIP3 1412 0.696 0.866 -0.489 1.00 0.00 WT1 O ATOM 7178 H1 TIP3 1412 6.690 5.492 -5.778 1.00 0.00 WT1 H ATOM 7179 H2 TIP3 1412 -1.595 5.900 7.541 1.00 0.00 WT1 H ATOM 7180 OH2 TIP3 1413 8.150 8.533 -1.001 1.00 0.00 WT1 O ATOM 7181 H1 TIP3 1413 -9.417 -10.293 6.397 1.00 0.00 WT1 H ATOM 7182 H2 TIP3 1413 0.893 9.975 -4.313 1.00 0.00 WT1 H ATOM 7183 OH2 TIP3 1414 -1.429 4.240 4.499 1.00 0.00 WT1 O ATOM 7184 H1 TIP3 1414 12.649 -7.104 13.178 1.00 0.00 WT1 H ATOM 7185 H2 TIP3 1414 5.510 22.517 14.195 1.00 0.00 WT1 H ATOM 7186 OH2 TIP3 1415 0.559 1.984 -1.697 1.00 0.00 WT1 O ATOM 7187 H1 TIP3 1415 -15.364 -3.914 16.686 1.00 0.00 WT1 H ATOM 7188 H2 TIP3 1415 0.156 16.435 -14.179 1.00 0.00 WT1 H ATOM 7189 OH2 TIP3 1416 4.757 -4.755 2.281 1.00 0.00 WT1 O ATOM 7190 H1 TIP3 1416 4.447 -7.021 2.742 1.00 0.00 WT1 H ATOM 7191 H2 TIP3 1416 -5.209 11.685 -8.618 1.00 0.00 WT1 H ATOM 7192 OH2 TIP3 1417 2.853 -0.520 2.432 1.00 0.00 WT1 O ATOM 7193 H1 TIP3 1417 5.581 -29.352 -20.416 1.00 0.00 WT1 H ATOM 7194 H2 TIP3 1417 -5.951 -1.186 -0.278 1.00 0.00 WT1 H ATOM 7195 OH2 TIP3 1418 -2.657 1.192 1.418 1.00 0.00 WT1 O ATOM 7196 H1 TIP3 1418 5.353 -0.007 -12.713 1.00 0.00 WT1 H ATOM 7197 H2 TIP3 1418 5.317 0.262 -3.568 1.00 0.00 WT1 H ATOM 7198 OH2 TIP3 1419 5.885 -3.906 6.604 1.00 0.00 WT1 O ATOM 7199 H1 TIP3 1419 -4.647 22.309 2.288 1.00 0.00 WT1 H ATOM 7200 H2 TIP3 1419 1.581 15.217 2.342 1.00 0.00 WT1 H ATOM 7201 OH2 TIP3 1421 -0.900 -1.646 0.784 1.00 0.00 WT1 O ATOM 7202 H1 TIP3 1421 -14.037 -16.711 9.655 1.00 0.00 WT1 H ATOM 7203 H2 TIP3 1421 3.683 7.357 1.705 1.00 0.00 WT1 H ATOM 7204 OH2 TIP3 1422 -0.082 -1.800 0.348 1.00 0.00 WT1 O ATOM 7205 H1 TIP3 1422 -3.876 -3.507 1.929 1.00 0.00 WT1 H ATOM 7206 H2 TIP3 1422 -10.054 -0.956 -4.788 1.00 0.00 WT1 H ATOM 7207 OH2 TIP3 1423 0.543 -2.749 1.524 1.00 0.00 WT1 O ATOM 7208 H1 TIP3 1423 -2.842 -3.467 -0.393 1.00 0.00 WT1 H ATOM 7209 H2 TIP3 1423 -2.949 3.724 14.917 1.00 0.00 WT1 H ATOM 7210 OH2 TIP3 1424 1.127 -6.402 1.674 1.00 0.00 WT1 O ATOM 7211 H1 TIP3 1424 14.962 -7.039 6.218 1.00 0.00 WT1 H ATOM 7212 H2 TIP3 1424 2.853 -1.861 6.136 1.00 0.00 WT1 H ATOM 7213 OH2 TIP3 1426 -7.479 1.907 -4.541 1.00 0.00 WT1 O ATOM 7214 H1 TIP3 1426 -15.850 3.579 -6.773 1.00 0.00 WT1 H ATOM 7215 H2 TIP3 1426 4.894 -2.192 -10.054 1.00 0.00 WT1 H ATOM 7216 OH2 TIP3 1428 -3.474 0.598 2.784 1.00 0.00 WT1 O ATOM 7217 H1 TIP3 1428 -7.010 -1.717 23.557 1.00 0.00 WT1 H ATOM 7218 H2 TIP3 1428 13.470 -1.888 3.483 1.00 0.00 WT1 H ATOM 7219 OH2 TIP3 1429 0.471 4.511 -2.248 1.00 0.00 WT1 O ATOM 7220 H1 TIP3 1429 1.124 -5.899 10.252 1.00 0.00 WT1 H ATOM 7221 H2 TIP3 1429 -0.555 7.022 -3.893 1.00 0.00 WT1 H ATOM 7222 OH2 TIP3 1430 -0.245 0.221 -4.696 1.00 0.00 WT1 O ATOM 7223 H1 TIP3 1430 -16.663 2.244 -0.347 1.00 0.00 WT1 H ATOM 7224 H2 TIP3 1430 18.125 -2.265 13.916 1.00 0.00 WT1 H ATOM 7225 OH2 TIP3 1431 -6.048 -2.644 -3.460 1.00 0.00 WT1 O ATOM 7226 H1 TIP3 1431 4.879 -11.152 -1.183 1.00 0.00 WT1 H ATOM 7227 H2 TIP3 1431 -0.827 4.399 -13.240 1.00 0.00 WT1 H ATOM 7228 OH2 TIP3 1432 5.589 2.372 -8.025 1.00 0.00 WT1 O ATOM 7229 H1 TIP3 1432 3.046 -5.629 3.427 1.00 0.00 WT1 H ATOM 7230 H2 TIP3 1432 7.553 6.050 18.693 1.00 0.00 WT1 H ATOM 7231 OH2 TIP3 1433 1.188 -0.249 0.049 1.00 0.00 WT1 O ATOM 7232 H1 TIP3 1433 8.232 15.531 -6.113 1.00 0.00 WT1 H ATOM 7233 H2 TIP3 1433 15.374 11.967 -9.239 1.00 0.00 WT1 H ATOM 7234 OH2 TIP3 1434 -4.977 2.589 5.274 1.00 0.00 WT1 O ATOM 7235 H1 TIP3 1434 -2.199 2.226 -13.478 1.00 0.00 WT1 H ATOM 7236 H2 TIP3 1434 -11.834 -10.009 13.673 1.00 0.00 WT1 H ATOM 7237 OH2 TIP3 1435 5.108 1.783 2.738 1.00 0.00 WT1 O ATOM 7238 H1 TIP3 1435 20.540 -11.531 2.998 1.00 0.00 WT1 H ATOM 7239 H2 TIP3 1435 -16.664 11.075 10.815 1.00 0.00 WT1 H ATOM 7240 OH2 TIP3 1436 4.045 11.830 -0.004 1.00 0.00 WT1 O ATOM 7241 H1 TIP3 1436 9.641 21.520 0.342 1.00 0.00 WT1 H ATOM 7242 H2 TIP3 1436 12.856 24.031 -9.806 1.00 0.00 WT1 H ATOM 7243 OH2 TIP3 1437 -6.838 -4.296 -2.407 1.00 0.00 WT1 O ATOM 7244 H1 TIP3 1437 -19.152 2.507 -7.519 1.00 0.00 WT1 H ATOM 7245 H2 TIP3 1437 -1.990 -7.817 15.175 1.00 0.00 WT1 H ATOM 7246 OH2 TIP3 1438 3.509 -1.670 -3.907 1.00 0.00 WT1 O ATOM 7247 H1 TIP3 1438 3.493 -5.557 4.638 1.00 0.00 WT1 H ATOM 7248 H2 TIP3 1438 17.769 -11.452 -15.541 1.00 0.00 WT1 H ATOM 7249 OH2 TIP3 1439 -3.073 0.963 -4.571 1.00 0.00 WT1 O ATOM 7250 H1 TIP3 1439 -1.994 -15.270 11.346 1.00 0.00 WT1 H ATOM 7251 H2 TIP3 1439 -25.278 -6.442 -18.621 1.00 0.00 WT1 H ATOM 7252 OH2 TIP3 1440 1.566 -5.132 0.616 1.00 0.00 WT1 O ATOM 7253 H1 TIP3 1440 -8.553 -8.557 -6.071 1.00 0.00 WT1 H ATOM 7254 H2 TIP3 1440 -3.569 -9.778 19.222 1.00 0.00 WT1 H ATOM 7255 OH2 TIP3 1441 -5.484 -2.061 1.133 1.00 0.00 WT1 O ATOM 7256 H1 TIP3 1441 -10.994 -7.620 -6.507 1.00 0.00 WT1 H ATOM 7257 H2 TIP3 1441 0.993 4.948 5.634 1.00 0.00 WT1 H ATOM 7258 OH2 TIP3 1442 2.266 -0.263 1.872 1.00 0.00 WT1 O ATOM 7259 H1 TIP3 1442 16.244 3.719 4.604 1.00 0.00 WT1 H ATOM 7260 H2 TIP3 1442 0.187 -7.286 8.705 1.00 0.00 WT1 H ATOM 7261 OH2 TIP3 1443 -2.570 -2.212 -3.713 1.00 0.00 WT1 O ATOM 7262 H1 TIP3 1443 -1.645 0.048 -3.586 1.00 0.00 WT1 H ATOM 7263 H2 TIP3 1443 -2.199 -3.471 -5.964 1.00 0.00 WT1 H ATOM 7264 OH2 TIP3 1444 -3.203 -0.273 -1.306 1.00 0.00 WT1 O ATOM 7265 H1 TIP3 1444 -17.036 12.701 0.068 1.00 0.00 WT1 H ATOM 7266 H2 TIP3 1444 11.705 11.254 -4.635 1.00 0.00 WT1 H ATOM 7267 OH2 TIP3 1445 -3.814 4.517 -0.574 1.00 0.00 WT1 O ATOM 7268 H1 TIP3 1445 60.898 11.387 -27.107 1.00 0.00 WT1 H ATOM 7269 H2 TIP3 1445 -7.054 -27.843 12.717 1.00 0.00 WT1 H ATOM 7270 OH2 TIP3 1446 -2.479 0.144 6.819 1.00 0.00 WT1 O ATOM 7271 H1 TIP3 1446 -10.723 3.982 13.528 1.00 0.00 WT1 H ATOM 7272 H2 TIP3 1446 -2.378 13.687 -9.890 1.00 0.00 WT1 H ATOM 7273 OH2 TIP3 1447 -4.802 -2.318 5.991 1.00 0.00 WT1 O ATOM 7274 H1 TIP3 1447 -2.606 2.749 1.901 1.00 0.00 WT1 H ATOM 7275 H2 TIP3 1447 7.104 -20.565 12.625 1.00 0.00 WT1 H ATOM 7276 OH2 TIP3 1448 -0.132 -0.673 -3.418 1.00 0.00 WT1 O ATOM 7277 H1 TIP3 1448 -5.883 -2.003 -1.002 1.00 0.00 WT1 H ATOM 7278 H2 TIP3 1448 6.274 6.430 14.721 1.00 0.00 WT1 H ATOM 7279 OH2 TIP3 1449 -1.194 -0.634 0.539 1.00 0.00 WT1 O ATOM 7280 H1 TIP3 1449 -7.262 1.794 0.550 1.00 0.00 WT1 H ATOM 7281 H2 TIP3 1449 1.907 -0.263 0.257 1.00 0.00 WT1 H ATOM 7282 OH2 TIP3 1450 3.341 -0.842 0.151 1.00 0.00 WT1 O ATOM 7283 H1 TIP3 1450 -10.888 6.040 28.856 1.00 0.00 WT1 H ATOM 7284 H2 TIP3 1450 10.799 -16.776 11.123 1.00 0.00 WT1 H ATOM 7285 OH2 TIP3 1451 0.455 -3.584 -0.274 1.00 0.00 WT1 O ATOM 7286 H1 TIP3 1451 0.388 -2.985 0.867 1.00 0.00 WT1 H ATOM 7287 H2 TIP3 1451 0.432 -8.058 -8.237 1.00 0.00 WT1 H ATOM 7288 OH2 TIP3 1453 2.290 0.647 1.152 1.00 0.00 WT1 O ATOM 7289 H1 TIP3 1453 6.248 0.659 15.366 1.00 0.00 WT1 H ATOM 7290 H2 TIP3 1453 4.427 6.066 -4.229 1.00 0.00 WT1 H ATOM 7291 OH2 TIP3 1454 5.744 -6.841 4.423 1.00 0.00 WT1 O ATOM 7292 H1 TIP3 1454 -2.834 -4.110 7.869 1.00 0.00 WT1 H ATOM 7293 H2 TIP3 1454 11.734 -1.494 5.340 1.00 0.00 WT1 H ATOM 7294 OH2 TIP3 1455 -1.333 1.135 -0.158 1.00 0.00 WT1 O ATOM 7295 H1 TIP3 1455 -25.758 -9.079 -10.752 1.00 0.00 WT1 H ATOM 7296 H2 TIP3 1455 -5.818 -14.923 7.144 1.00 0.00 WT1 H ATOM 7297 OH2 TIP3 1456 1.828 4.498 -0.808 1.00 0.00 WT1 O ATOM 7298 H1 TIP3 1456 10.227 -6.871 -5.746 1.00 0.00 WT1 H ATOM 7299 H2 TIP3 1456 9.907 0.621 -22.636 1.00 0.00 WT1 H ATOM 7300 OH2 TIP3 1457 4.971 6.211 0.360 1.00 0.00 WT1 O ATOM 7301 H1 TIP3 1457 7.986 15.003 -17.054 1.00 0.00 WT1 H ATOM 7302 H2 TIP3 1457 10.331 5.170 -5.434 1.00 0.00 WT1 H ATOM 7303 OH2 TIP3 1458 -5.218 2.921 2.931 1.00 0.00 WT1 O ATOM 7304 H1 TIP3 1458 -17.777 9.465 -0.496 1.00 0.00 WT1 H ATOM 7305 H2 TIP3 1458 -7.009 -9.359 -9.186 1.00 0.00 WT1 H ATOM 7306 OH2 TIP3 1459 -1.304 -3.063 -2.714 1.00 0.00 WT1 O ATOM 7307 H1 TIP3 1459 -7.288 14.992 -11.131 1.00 0.00 WT1 H ATOM 7308 H2 TIP3 1459 16.254 6.864 9.232 1.00 0.00 WT1 H ATOM 7309 OH2 TIP3 1461 -2.837 0.274 5.360 1.00 0.00 WT1 O ATOM 7310 H1 TIP3 1461 4.824 7.817 8.103 1.00 0.00 WT1 H ATOM 7311 H2 TIP3 1461 -20.480 -4.684 -0.840 1.00 0.00 WT1 H ATOM 7312 OH2 TIP3 1462 0.837 3.099 -7.078 1.00 0.00 WT1 O ATOM 7313 H1 TIP3 1462 -17.590 15.387 -4.458 1.00 0.00 WT1 H ATOM 7314 H2 TIP3 1462 1.255 -8.876 -17.255 1.00 0.00 WT1 H ATOM 7315 OH2 TIP3 1463 8.668 11.242 -1.543 1.00 0.00 WT1 O ATOM 7316 H1 TIP3 1463 -21.738 9.980 6.327 1.00 0.00 WT1 H ATOM 7317 H2 TIP3 1463 13.970 -4.004 15.804 1.00 0.00 WT1 H ATOM 7318 OH2 TIP3 1464 -6.046 0.598 -1.539 1.00 0.00 WT1 O ATOM 7319 H1 TIP3 1464 9.396 -4.356 8.325 1.00 0.00 WT1 H ATOM 7320 H2 TIP3 1464 -11.127 0.658 -4.940 1.00 0.00 WT1 H ATOM 7321 OH2 TIP3 1466 -3.743 4.268 1.763 1.00 0.00 WT1 O ATOM 7322 H1 TIP3 1466 3.140 -6.998 6.845 1.00 0.00 WT1 H ATOM 7323 H2 TIP3 1466 -16.415 6.769 7.286 1.00 0.00 WT1 H ATOM 7324 OH2 TIP3 1467 -5.669 1.574 -2.022 1.00 0.00 WT1 O ATOM 7325 H1 TIP3 1467 9.885 8.918 -7.260 1.00 0.00 WT1 H ATOM 7326 H2 TIP3 1467 -11.624 0.333 -2.533 1.00 0.00 WT1 H ATOM 7327 OH2 TIP3 1468 5.166 2.283 -2.208 1.00 0.00 WT1 O ATOM 7328 H1 TIP3 1468 -10.167 9.316 -0.612 1.00 0.00 WT1 H ATOM 7329 H2 TIP3 1468 3.683 2.186 -3.806 1.00 0.00 WT1 H ATOM 7330 OH2 TIP3 1469 5.803 -8.063 -1.332 1.00 0.00 WT1 O ATOM 7331 H1 TIP3 1469 31.659 4.222 28.692 1.00 0.00 WT1 H ATOM 7332 H2 TIP3 1469 -26.291 -23.948 21.652 1.00 0.00 WT1 H ATOM 7333 OH2 TIP3 1470 -5.566 0.972 1.805 1.00 0.00 WT1 O ATOM 7334 H1 TIP3 1470 -4.900 4.186 4.261 1.00 0.00 WT1 H ATOM 7335 H2 TIP3 1470 -6.249 -0.268 0.728 1.00 0.00 WT1 H ATOM 7336 OH2 TIP3 1471 -3.203 4.581 -1.931 1.00 0.00 WT1 O ATOM 7337 H1 TIP3 1471 13.687 13.811 -34.324 1.00 0.00 WT1 H ATOM 7338 H2 TIP3 1471 2.556 5.440 -3.831 1.00 0.00 WT1 H ATOM 7339 OH2 TIP3 1472 -1.240 5.954 -6.814 1.00 0.00 WT1 O ATOM 7340 H1 TIP3 1472 -0.343 2.559 -0.068 1.00 0.00 WT1 H ATOM 7341 H2 TIP3 1472 -6.833 20.441 -5.753 1.00 0.00 WT1 H ATOM 7342 OH2 TIP3 1473 -1.357 6.318 4.146 1.00 0.00 WT1 O ATOM 7343 H1 TIP3 1473 -0.060 0.194 23.210 1.00 0.00 WT1 H ATOM 7344 H2 TIP3 1473 0.640 8.325 -5.563 1.00 0.00 WT1 H ATOM 7345 OH2 TIP3 1474 3.230 -5.536 9.249 1.00 0.00 WT1 O ATOM 7346 H1 TIP3 1474 12.953 -13.870 -2.966 1.00 0.00 WT1 H ATOM 7347 H2 TIP3 1474 36.524 11.994 -4.906 1.00 0.00 WT1 H ATOM 7348 OH2 TIP3 1475 0.092 -2.357 4.686 1.00 0.00 WT1 O ATOM 7349 H1 TIP3 1475 2.365 -13.352 -2.188 1.00 0.00 WT1 H ATOM 7350 H2 TIP3 1475 -4.679 2.458 9.842 1.00 0.00 WT1 H ATOM 7351 OH2 TIP3 1476 -2.749 -0.775 6.501 1.00 0.00 WT1 O ATOM 7352 H1 TIP3 1476 -0.476 -9.664 2.369 1.00 0.00 WT1 H ATOM 7353 H2 TIP3 1476 16.184 -31.361 -34.503 1.00 0.00 WT1 H ATOM 7354 OH2 TIP3 1477 -1.650 -3.149 -1.075 1.00 0.00 WT1 O ATOM 7355 H1 TIP3 1477 -0.389 -10.915 2.042 1.00 0.00 WT1 H ATOM 7356 H2 TIP3 1477 -11.384 25.812 -2.998 1.00 0.00 WT1 H ATOM 7357 OH2 TIP3 1478 -2.733 4.036 1.772 1.00 0.00 WT1 O ATOM 7358 H1 TIP3 1478 -0.293 4.716 27.499 1.00 0.00 WT1 H ATOM 7359 H2 TIP3 1478 9.693 -5.113 -23.598 1.00 0.00 WT1 H ATOM 7360 OH2 TIP3 1479 -4.876 -1.205 0.455 1.00 0.00 WT1 O ATOM 7361 H1 TIP3 1479 -15.756 -4.708 10.799 1.00 0.00 WT1 H ATOM 7362 H2 TIP3 1479 4.040 1.269 -8.365 1.00 0.00 WT1 H ATOM 7363 OH2 TIP3 1480 -0.411 1.609 0.633 1.00 0.00 WT1 O ATOM 7364 H1 TIP3 1480 -0.471 0.096 15.882 1.00 0.00 WT1 H ATOM 7365 H2 TIP3 1480 4.520 -15.830 15.463 1.00 0.00 WT1 H ATOM 7366 OH2 TIP3 1482 0.778 3.498 3.192 1.00 0.00 WT1 O ATOM 7367 H1 TIP3 1482 -0.066 2.675 1.835 1.00 0.00 WT1 H ATOM 7368 H2 TIP3 1482 -0.992 6.527 2.315 1.00 0.00 WT1 H ATOM 7369 OH2 TIP3 1483 -0.071 4.141 4.754 1.00 0.00 WT1 O ATOM 7370 H1 TIP3 1483 2.922 0.887 11.415 1.00 0.00 WT1 H ATOM 7371 H2 TIP3 1483 -27.223 -14.950 -29.247 1.00 0.00 WT1 H ATOM 7372 OH2 TIP3 1484 1.277 0.574 4.911 1.00 0.00 WT1 O ATOM 7373 H1 TIP3 1484 12.825 -9.162 4.196 1.00 0.00 WT1 H ATOM 7374 H2 TIP3 1484 8.569 -9.014 5.780 1.00 0.00 WT1 H ATOM 7375 OH2 TIP3 1485 -2.087 -3.005 9.748 1.00 0.00 WT1 O ATOM 7376 H1 TIP3 1485 -20.465 7.164 20.096 1.00 0.00 WT1 H ATOM 7377 H2 TIP3 1485 14.799 -28.188 14.151 1.00 0.00 WT1 H ATOM 7378 OH2 TIP3 1486 2.286 4.034 2.408 1.00 0.00 WT1 O ATOM 7379 H1 TIP3 1486 9.142 -1.284 -22.261 1.00 0.00 WT1 H ATOM 7380 H2 TIP3 1486 16.572 -3.958 -1.374 1.00 0.00 WT1 H ATOM 7381 OH2 TIP3 1487 3.112 3.177 -0.082 1.00 0.00 WT1 O ATOM 7382 H1 TIP3 1487 8.556 3.081 -17.400 1.00 0.00 WT1 H ATOM 7383 H2 TIP3 1487 12.527 -1.060 -6.252 1.00 0.00 WT1 H ATOM 7384 OH2 TIP3 1488 2.433 -4.486 4.326 1.00 0.00 WT1 O ATOM 7385 H1 TIP3 1488 -2.176 -4.014 23.187 1.00 0.00 WT1 H ATOM 7386 H2 TIP3 1488 11.893 -8.650 13.715 1.00 0.00 WT1 H ATOM 7387 OH2 TIP3 1489 -1.644 6.323 -0.117 1.00 0.00 WT1 O ATOM 7388 H1 TIP3 1489 -12.200 4.010 -1.259 1.00 0.00 WT1 H ATOM 7389 H2 TIP3 1489 -1.937 -5.543 -2.413 1.00 0.00 WT1 H ATOM 7390 OH2 TIP3 1490 1.784 8.269 3.655 1.00 0.00 WT1 O ATOM 7391 H1 TIP3 1490 -0.680 18.539 -8.080 1.00 0.00 WT1 H ATOM 7392 H2 TIP3 1490 16.885 16.648 11.782 1.00 0.00 WT1 H ATOM 7393 OH2 TIP3 1491 7.910 4.733 3.265 1.00 0.00 WT1 O ATOM 7394 H1 TIP3 1491 -2.819 24.848 -4.613 1.00 0.00 WT1 H ATOM 7395 H2 TIP3 1491 24.732 -7.384 24.801 1.00 0.00 WT1 H ATOM 7396 OH2 TIP3 1492 -1.117 -2.171 -5.529 1.00 0.00 WT1 O ATOM 7397 H1 TIP3 1492 5.414 7.709 -18.883 1.00 0.00 WT1 H ATOM 7398 H2 TIP3 1492 20.779 15.007 21.215 1.00 0.00 WT1 H ATOM 7399 OH2 TIP3 1493 -1.918 -11.974 2.020 1.00 0.00 WT1 O ATOM 7400 H1 TIP3 1493 0.772 -7.113 1.343 1.00 0.00 WT1 H ATOM 7401 H2 TIP3 1493 -6.545 -11.435 0.177 1.00 0.00 WT1 H ATOM 7402 OH2 TIP3 1494 -2.955 5.147 5.202 1.00 0.00 WT1 O ATOM 7403 H1 TIP3 1494 -29.281 9.250 3.709 1.00 0.00 WT1 H ATOM 7404 H2 TIP3 1494 23.644 17.062 11.196 1.00 0.00 WT1 H ATOM 7405 OH2 TIP3 1495 -3.519 -1.766 -1.672 1.00 0.00 WT1 O ATOM 7406 H1 TIP3 1495 -4.747 7.603 -4.757 1.00 0.00 WT1 H ATOM 7407 H2 TIP3 1495 -19.919 -2.518 22.272 1.00 0.00 WT1 H ATOM 7408 OH2 TIP3 1496 0.431 -0.137 -0.281 1.00 0.00 WT1 O ATOM 7409 H1 TIP3 1496 25.245 5.354 -12.512 1.00 0.00 WT1 H ATOM 7410 H2 TIP3 1496 -25.116 -7.948 4.175 1.00 0.00 WT1 H ATOM 7411 OH2 TIP3 1497 4.802 0.117 -0.706 1.00 0.00 WT1 O ATOM 7412 H1 TIP3 1497 -2.399 22.454 19.692 1.00 0.00 WT1 H ATOM 7413 H2 TIP3 1497 2.659 3.718 4.557 1.00 0.00 WT1 H ATOM 7414 OH2 TIP3 1498 2.276 -3.328 -3.361 1.00 0.00 WT1 O ATOM 7415 H1 TIP3 1498 16.036 -3.420 9.039 1.00 0.00 WT1 H ATOM 7416 H2 TIP3 1498 -15.408 -3.525 1.581 1.00 0.00 WT1 H ATOM 7417 OH2 TIP3 1499 2.518 3.045 -0.265 1.00 0.00 WT1 O ATOM 7418 H1 TIP3 1499 6.841 12.875 3.376 1.00 0.00 WT1 H ATOM 7419 H2 TIP3 1499 4.432 0.107 -8.462 1.00 0.00 WT1 H ATOM 7420 OH2 TIP3 1500 0.339 1.649 -5.521 1.00 0.00 WT1 O ATOM 7421 H1 TIP3 1500 -5.346 -12.176 -4.944 1.00 0.00 WT1 H ATOM 7422 H2 TIP3 1500 3.018 6.389 -8.363 1.00 0.00 WT1 H ATOM 7423 OH2 TIP3 1501 3.874 -3.018 -6.237 1.00 0.00 WT1 O ATOM 7424 H1 TIP3 1501 6.596 -3.585 4.530 1.00 0.00 WT1 H ATOM 7425 H2 TIP3 1501 10.682 -7.058 -13.979 1.00 0.00 WT1 H ATOM 7426 OH2 TIP3 1502 5.611 1.759 -2.458 1.00 0.00 WT1 O ATOM 7427 H1 TIP3 1502 5.117 -5.768 3.818 1.00 0.00 WT1 H ATOM 7428 H2 TIP3 1502 18.706 0.517 -8.169 1.00 0.00 WT1 H ATOM 7429 OH2 TIP3 1503 -0.089 -3.848 -0.390 1.00 0.00 WT1 O ATOM 7430 H1 TIP3 1503 -10.873 12.538 4.345 1.00 0.00 WT1 H ATOM 7431 H2 TIP3 1503 -23.598 -2.657 10.859 1.00 0.00 WT1 H ATOM 7432 OH2 TIP3 1504 -4.822 2.596 1.722 1.00 0.00 WT1 O ATOM 7433 H1 TIP3 1504 -7.009 3.495 -6.854 1.00 0.00 WT1 H ATOM 7434 H2 TIP3 1504 4.032 6.173 -6.142 1.00 0.00 WT1 H ATOM 7435 OH2 TIP3 1505 -2.808 -2.180 -2.182 1.00 0.00 WT1 O ATOM 7436 H1 TIP3 1505 -14.674 4.955 -7.780 1.00 0.00 WT1 H ATOM 7437 H2 TIP3 1505 11.119 -17.258 2.030 1.00 0.00 WT1 H ATOM 7438 OH2 TIP3 1508 -5.390 -2.541 -0.939 1.00 0.00 WT1 O ATOM 7439 H1 TIP3 1508 -2.263 2.307 5.121 1.00 0.00 WT1 H ATOM 7440 H2 TIP3 1508 -1.229 4.896 4.928 1.00 0.00 WT1 H ATOM 7441 OH2 TIP3 1509 0.215 -2.147 -1.123 1.00 0.00 WT1 O ATOM 7442 H1 TIP3 1509 -5.631 -8.347 10.968 1.00 0.00 WT1 H ATOM 7443 H2 TIP3 1509 -4.960 7.435 6.543 1.00 0.00 WT1 H ATOM 7444 OH2 TIP3 1510 1.741 2.704 -3.521 1.00 0.00 WT1 O ATOM 7445 H1 TIP3 1510 -8.375 -2.002 -12.173 1.00 0.00 WT1 H ATOM 7446 H2 TIP3 1510 3.257 7.625 -0.465 1.00 0.00 WT1 H ATOM 7447 OH2 TIP3 1511 -1.456 -2.124 2.517 1.00 0.00 WT1 O ATOM 7448 H1 TIP3 1511 -6.886 -8.159 0.478 1.00 0.00 WT1 H ATOM 7449 H2 TIP3 1511 8.080 -1.783 6.423 1.00 0.00 WT1 H ATOM 7450 OH2 TIP3 1512 3.277 3.404 1.579 1.00 0.00 WT1 O ATOM 7451 H1 TIP3 1512 -5.079 -2.875 -2.229 1.00 0.00 WT1 H ATOM 7452 H2 TIP3 1512 -34.888 -20.114 -16.368 1.00 0.00 WT1 H ATOM 7453 OH2 TIP3 1514 0.142 5.763 3.722 1.00 0.00 WT1 O ATOM 7454 H1 TIP3 1514 14.699 -5.941 7.315 1.00 0.00 WT1 H ATOM 7455 H2 TIP3 1514 18.262 27.607 7.924 1.00 0.00 WT1 H ATOM 7456 OH2 TIP3 1515 -1.167 -8.113 0.157 1.00 0.00 WT1 O ATOM 7457 H1 TIP3 1515 15.818 4.680 10.664 1.00 0.00 WT1 H ATOM 7458 H2 TIP3 1515 12.590 -0.446 4.349 1.00 0.00 WT1 H ATOM 7459 OH2 TIP3 1516 -2.174 -2.756 -0.218 1.00 0.00 WT1 O ATOM 7460 H1 TIP3 1516 -4.231 2.588 -4.320 1.00 0.00 WT1 H ATOM 7461 H2 TIP3 1516 -4.903 -4.049 1.513 1.00 0.00 WT1 H ATOM 7462 OH2 TIP3 1517 0.055 6.465 3.859 1.00 0.00 WT1 O ATOM 7463 H1 TIP3 1517 -26.005 6.335 4.967 1.00 0.00 WT1 H ATOM 7464 H2 TIP3 1517 8.401 -31.040 9.022 1.00 0.00 WT1 H ATOM 7465 OH2 TIP3 1518 1.335 -3.757 -2.233 1.00 0.00 WT1 O ATOM 7466 H1 TIP3 1518 -10.496 -13.142 -7.684 1.00 0.00 WT1 H ATOM 7467 H2 TIP3 1518 -6.038 5.483 3.419 1.00 0.00 WT1 H ATOM 7468 OH2 TIP3 1519 6.372 1.115 -3.952 1.00 0.00 WT1 O ATOM 7469 H1 TIP3 1519 9.227 3.085 -1.481 1.00 0.00 WT1 H ATOM 7470 H2 TIP3 1519 3.673 -1.430 -3.757 1.00 0.00 WT1 H ATOM 7471 OH2 TIP3 1520 -4.005 0.477 7.241 1.00 0.00 WT1 O ATOM 7472 H1 TIP3 1520 -0.268 4.394 13.096 1.00 0.00 WT1 H ATOM 7473 H2 TIP3 1520 -18.530 -4.017 3.876 1.00 0.00 WT1 H ATOM 7474 OH2 TIP3 1521 0.675 1.273 4.197 1.00 0.00 WT1 O ATOM 7475 H1 TIP3 1521 -2.806 -3.063 3.657 1.00 0.00 WT1 H ATOM 7476 H2 TIP3 1521 3.883 0.197 -5.247 1.00 0.00 WT1 H ATOM 7477 OH2 TIP3 1522 -4.946 -0.801 -2.209 1.00 0.00 WT1 O ATOM 7478 H1 TIP3 1522 -14.414 -7.504 1.651 1.00 0.00 WT1 H ATOM 7479 H2 TIP3 1522 5.354 -6.831 6.264 1.00 0.00 WT1 H ATOM 7480 OH2 TIP3 1523 -0.227 4.091 1.792 1.00 0.00 WT1 O ATOM 7481 H1 TIP3 1523 -16.343 -3.456 -8.646 1.00 0.00 WT1 H ATOM 7482 H2 TIP3 1523 1.797 -4.033 11.933 1.00 0.00 WT1 H ATOM 7483 OH2 TIP3 1524 -0.427 2.959 -4.893 1.00 0.00 WT1 O ATOM 7484 H1 TIP3 1524 -10.835 -0.280 -7.363 1.00 0.00 WT1 H ATOM 7485 H2 TIP3 1524 -11.382 -6.236 -6.648 1.00 0.00 WT1 H ATOM 7486 OH2 TIP3 1525 1.608 4.168 -4.216 1.00 0.00 WT1 O ATOM 7487 H1 TIP3 1525 -11.700 -2.195 13.746 1.00 0.00 WT1 H ATOM 7488 H2 TIP3 1525 -8.468 -2.622 -22.925 1.00 0.00 WT1 H ATOM 7489 OH2 TIP3 1527 4.216 1.129 -0.663 1.00 0.00 WT1 O ATOM 7490 H1 TIP3 1527 6.956 -3.212 -0.140 1.00 0.00 WT1 H ATOM 7491 H2 TIP3 1527 3.047 -0.731 -10.393 1.00 0.00 WT1 H ATOM 7492 OH2 TIP3 1530 5.597 1.243 1.720 1.00 0.00 WT1 O ATOM 7493 H1 TIP3 1530 16.322 18.784 20.202 1.00 0.00 WT1 H ATOM 7494 H2 TIP3 1530 -18.871 -9.292 -2.866 1.00 0.00 WT1 H ATOM 7495 OH2 TIP3 1531 5.533 5.778 5.874 1.00 0.00 WT1 O ATOM 7496 H1 TIP3 1531 7.992 -0.107 0.458 1.00 0.00 WT1 H ATOM 7497 H2 TIP3 1531 14.584 7.362 -4.124 1.00 0.00 WT1 H ATOM 7498 OH2 TIP3 1532 2.616 1.272 -7.786 1.00 0.00 WT1 O ATOM 7499 H1 TIP3 1532 2.386 -0.447 -7.123 1.00 0.00 WT1 H ATOM 7500 H2 TIP3 1532 3.831 2.624 -6.965 1.00 0.00 WT1 H ATOM 7501 OH2 TIP3 1533 -4.050 -2.029 -7.134 1.00 0.00 WT1 O ATOM 7502 H1 TIP3 1533 -18.447 -12.427 -24.259 1.00 0.00 WT1 H ATOM 7503 H2 TIP3 1533 2.590 2.573 5.453 1.00 0.00 WT1 H ATOM 7504 OH2 TIP3 1534 0.234 2.589 7.466 1.00 0.00 WT1 O ATOM 7505 H1 TIP3 1534 6.728 10.857 -0.024 1.00 0.00 WT1 H ATOM 7506 H2 TIP3 1534 8.070 -17.639 0.230 1.00 0.00 WT1 H ATOM 7507 OH2 TIP3 1536 0.909 -1.549 3.126 1.00 0.00 WT1 O ATOM 7508 H1 TIP3 1536 4.933 0.233 3.297 1.00 0.00 WT1 H ATOM 7509 H2 TIP3 1536 11.577 3.497 4.954 1.00 0.00 WT1 H ATOM 7510 OH2 TIP3 1537 1.456 -4.961 -9.363 1.00 0.00 WT1 O ATOM 7511 H1 TIP3 1537 -15.567 11.589 -28.926 1.00 0.00 WT1 H ATOM 7512 H2 TIP3 1537 10.342 -4.167 26.311 1.00 0.00 WT1 H ATOM 7513 OH2 TIP3 1538 2.527 0.409 0.481 1.00 0.00 WT1 O ATOM 7514 H1 TIP3 1538 -0.996 4.097 -2.497 1.00 0.00 WT1 H ATOM 7515 H2 TIP3 1538 10.592 2.901 1.369 1.00 0.00 WT1 H ATOM 7516 OH2 TIP3 1539 -3.259 0.541 -3.478 1.00 0.00 WT1 O ATOM 7517 H1 TIP3 1539 -2.763 -27.536 -14.506 1.00 0.00 WT1 H ATOM 7518 H2 TIP3 1539 -28.383 -8.576 8.963 1.00 0.00 WT1 H ATOM 7519 OH2 TIP3 1540 -4.627 3.603 2.420 1.00 0.00 WT1 O ATOM 7520 H1 TIP3 1540 -3.517 3.393 3.590 1.00 0.00 WT1 H ATOM 7521 H2 TIP3 1540 11.798 34.125 7.235 1.00 0.00 WT1 H ATOM 7522 OH2 TIP3 1541 5.975 -4.622 -0.314 1.00 0.00 WT1 O ATOM 7523 H1 TIP3 1541 14.286 16.333 -10.279 1.00 0.00 WT1 H ATOM 7524 H2 TIP3 1541 -6.120 4.951 22.063 1.00 0.00 WT1 H ATOM 7525 OH2 TIP3 1542 1.591 -1.247 0.914 1.00 0.00 WT1 O ATOM 7526 H1 TIP3 1542 11.710 -1.395 -10.408 1.00 0.00 WT1 H ATOM 7527 H2 TIP3 1542 4.598 4.734 2.811 1.00 0.00 WT1 H ATOM 7528 OH2 TIP3 1543 -3.757 2.858 3.598 1.00 0.00 WT1 O ATOM 7529 H1 TIP3 1543 0.507 0.611 12.162 1.00 0.00 WT1 H ATOM 7530 H2 TIP3 1543 8.518 -4.319 26.429 1.00 0.00 WT1 H ATOM 7531 OH2 TIP3 1544 -1.332 -1.785 2.577 1.00 0.00 WT1 O ATOM 7532 H1 TIP3 1544 13.810 -1.251 -4.563 1.00 0.00 WT1 H ATOM 7533 H2 TIP3 1544 20.539 -3.072 -1.907 1.00 0.00 WT1 H ATOM 7534 OH2 TIP3 1545 2.697 -0.464 2.314 1.00 0.00 WT1 O ATOM 7535 H1 TIP3 1545 11.010 9.218 -8.192 1.00 0.00 WT1 H ATOM 7536 H2 TIP3 1545 1.399 1.964 12.977 1.00 0.00 WT1 H ATOM 7537 OH2 TIP3 1546 -5.639 4.442 6.184 1.00 0.00 WT1 O ATOM 7538 H1 TIP3 1546 10.801 12.567 12.707 1.00 0.00 WT1 H ATOM 7539 H2 TIP3 1546 -13.698 3.073 5.081 1.00 0.00 WT1 H ATOM 7540 OH2 TIP3 1548 -5.919 -2.806 3.588 1.00 0.00 WT1 O ATOM 7541 H1 TIP3 1548 -14.102 -13.683 12.522 1.00 0.00 WT1 H ATOM 7542 H2 TIP3 1548 -5.927 -17.837 11.195 1.00 0.00 WT1 H ATOM 7543 OH2 TIP3 1549 1.753 -3.849 2.123 1.00 0.00 WT1 O ATOM 7544 H1 TIP3 1549 -14.212 -6.977 -0.835 1.00 0.00 WT1 H ATOM 7545 H2 TIP3 1549 -2.503 -1.349 4.686 1.00 0.00 WT1 H ATOM 7546 OH2 TIP3 1550 -3.819 -0.937 2.722 1.00 0.00 WT1 O ATOM 7547 H1 TIP3 1550 6.160 6.468 -7.403 1.00 0.00 WT1 H ATOM 7548 H2 TIP3 1550 -15.181 -8.416 7.710 1.00 0.00 WT1 H ATOM 7549 OH2 TIP3 1551 2.382 0.411 3.348 1.00 0.00 WT1 O ATOM 7550 H1 TIP3 1551 11.356 -0.992 -1.868 1.00 0.00 WT1 H ATOM 7551 H2 TIP3 1551 3.386 13.695 11.530 1.00 0.00 WT1 H ATOM 7552 OH2 TIP3 1552 4.298 2.579 0.189 1.00 0.00 WT1 O ATOM 7553 H1 TIP3 1552 5.829 -4.050 -0.465 1.00 0.00 WT1 H ATOM 7554 H2 TIP3 1552 -16.084 -13.274 -1.943 1.00 0.00 WT1 H ATOM 7555 OH2 TIP3 1553 2.773 -2.693 -1.743 1.00 0.00 WT1 O ATOM 7556 H1 TIP3 1553 20.795 -9.972 17.040 1.00 0.00 WT1 H ATOM 7557 H2 TIP3 1553 14.193 -7.330 8.466 1.00 0.00 WT1 H ATOM 7558 OH2 TIP3 1554 -2.260 -7.041 -2.854 1.00 0.00 WT1 O ATOM 7559 H1 TIP3 1554 -1.543 -8.180 -5.317 1.00 0.00 WT1 H ATOM 7560 H2 TIP3 1554 -11.888 -12.292 -4.007 1.00 0.00 WT1 H ATOM 7561 OH2 TIP3 1555 -6.879 -0.913 0.242 1.00 0.00 WT1 O ATOM 7562 H1 TIP3 1555 16.457 7.840 17.265 1.00 0.00 WT1 H ATOM 7563 H2 TIP3 1555 -26.268 16.618 -8.532 1.00 0.00 WT1 H ATOM 7564 OH2 TIP3 1556 1.893 1.366 2.814 1.00 0.00 WT1 O ATOM 7565 H1 TIP3 1556 -9.445 8.945 13.086 1.00 0.00 WT1 H ATOM 7566 H2 TIP3 1556 10.763 -16.382 -1.847 1.00 0.00 WT1 H ATOM 7567 OH2 TIP3 1557 2.861 -1.166 -4.260 1.00 0.00 WT1 O ATOM 7568 H1 TIP3 1557 5.775 -9.621 1.979 1.00 0.00 WT1 H ATOM 7569 H2 TIP3 1557 5.933 -27.401 2.933 1.00 0.00 WT1 H ATOM 7570 OH2 TIP3 1558 -3.981 6.838 1.551 1.00 0.00 WT1 O ATOM 7571 H1 TIP3 1558 5.692 17.053 -15.910 1.00 0.00 WT1 H ATOM 7572 H2 TIP3 1558 -1.999 -15.815 -3.196 1.00 0.00 WT1 H ATOM 7573 OH2 TIP3 1559 -2.397 0.314 1.248 1.00 0.00 WT1 O ATOM 7574 H1 TIP3 1559 4.318 -2.057 0.214 1.00 0.00 WT1 H ATOM 7575 H2 TIP3 1559 0.741 -0.046 3.288 1.00 0.00 WT1 H ATOM 7576 OH2 TIP3 1560 -7.700 0.245 -1.166 1.00 0.00 WT1 O ATOM 7577 H1 TIP3 1560 -7.159 -6.072 -5.436 1.00 0.00 WT1 H ATOM 7578 H2 TIP3 1560 -2.198 -12.545 -0.180 1.00 0.00 WT1 H ATOM 7579 OH2 TIP3 1561 -2.731 4.903 -8.453 1.00 0.00 WT1 O ATOM 7580 H1 TIP3 1561 0.020 -7.519 -8.179 1.00 0.00 WT1 H ATOM 7581 H2 TIP3 1561 -2.628 -1.925 -4.207 1.00 0.00 WT1 H ATOM 7582 OH2 TIP3 1562 -1.793 -6.721 2.485 1.00 0.00 WT1 O ATOM 7583 H1 TIP3 1562 -6.474 -1.210 21.286 1.00 0.00 WT1 H ATOM 7584 H2 TIP3 1562 -11.714 -2.042 14.445 1.00 0.00 WT1 H ATOM 7585 OH2 TIP3 1563 4.666 -0.334 -3.995 1.00 0.00 WT1 O ATOM 7586 H1 TIP3 1563 18.564 0.095 4.957 1.00 0.00 WT1 H ATOM 7587 H2 TIP3 1563 12.261 -0.152 1.051 1.00 0.00 WT1 H ATOM 7588 OH2 TIP3 1564 1.801 1.851 -2.117 1.00 0.00 WT1 O ATOM 7589 H1 TIP3 1564 6.707 17.374 -2.704 1.00 0.00 WT1 H ATOM 7590 H2 TIP3 1564 4.347 9.063 -0.180 1.00 0.00 WT1 H ATOM 7591 OH2 TIP3 1565 0.653 0.391 -3.859 1.00 0.00 WT1 O ATOM 7592 H1 TIP3 1565 6.092 0.098 -10.343 1.00 0.00 WT1 H ATOM 7593 H2 TIP3 1565 7.804 0.583 -8.124 1.00 0.00 WT1 H ATOM 7594 OH2 TIP3 1566 4.481 -3.863 -5.237 1.00 0.00 WT1 O ATOM 7595 H1 TIP3 1566 -6.910 -6.826 0.625 1.00 0.00 WT1 H ATOM 7596 H2 TIP3 1566 9.081 11.201 4.375 1.00 0.00 WT1 H ATOM 7597 OH2 TIP3 1567 2.439 7.149 -1.569 1.00 0.00 WT1 O ATOM 7598 H1 TIP3 1567 -18.832 12.253 -16.642 1.00 0.00 WT1 H ATOM 7599 H2 TIP3 1567 13.223 -7.530 -17.879 1.00 0.00 WT1 H ATOM 7600 OH2 TIP3 1569 -5.477 2.847 -0.043 1.00 0.00 WT1 O ATOM 7601 H1 TIP3 1569 -11.111 1.881 -3.929 1.00 0.00 WT1 H ATOM 7602 H2 TIP3 1569 -4.958 -5.262 14.666 1.00 0.00 WT1 H ATOM 7603 OH2 TIP3 1570 -1.574 -2.295 -2.627 1.00 0.00 WT1 O ATOM 7604 H1 TIP3 1570 4.077 -6.577 -14.723 1.00 0.00 WT1 H ATOM 7605 H2 TIP3 1570 -5.588 -7.775 -7.468 1.00 0.00 WT1 H ATOM 7606 OH2 TIP3 1571 -3.001 -4.245 -2.477 1.00 0.00 WT1 O ATOM 7607 H1 TIP3 1571 5.807 -22.089 23.818 1.00 0.00 WT1 H ATOM 7608 H2 TIP3 1571 -20.026 -14.937 -15.247 1.00 0.00 WT1 H ATOM 7609 OH2 TIP3 1572 6.725 1.262 -0.608 1.00 0.00 WT1 O ATOM 7610 H1 TIP3 1572 -2.732 9.964 4.610 1.00 0.00 WT1 H ATOM 7611 H2 TIP3 1572 7.943 4.716 -13.080 1.00 0.00 WT1 H ATOM 7612 OH2 TIP3 1574 0.468 3.791 -0.666 1.00 0.00 WT1 O ATOM 7613 H1 TIP3 1574 -6.395 -7.793 -4.594 1.00 0.00 WT1 H ATOM 7614 H2 TIP3 1574 4.175 21.070 1.574 1.00 0.00 WT1 H ATOM 7615 OH2 TIP3 1575 1.753 0.726 -2.356 1.00 0.00 WT1 O ATOM 7616 H1 TIP3 1575 -9.842 16.450 -27.131 1.00 0.00 WT1 H ATOM 7617 H2 TIP3 1575 7.248 7.398 27.368 1.00 0.00 WT1 H ATOM 7618 OH2 TIP3 1576 1.045 7.543 -0.252 1.00 0.00 WT1 O ATOM 7619 H1 TIP3 1576 3.616 12.438 -2.086 1.00 0.00 WT1 H ATOM 7620 H2 TIP3 1576 -1.568 -9.070 0.694 1.00 0.00 WT1 H ATOM 7621 OH2 TIP3 1577 0.349 1.439 -2.545 1.00 0.00 WT1 O ATOM 7622 H1 TIP3 1577 3.738 -7.492 -9.430 1.00 0.00 WT1 H ATOM 7623 H2 TIP3 1577 -0.224 -3.980 8.713 1.00 0.00 WT1 H ATOM 7624 OH2 TIP3 1578 0.599 -3.927 4.311 1.00 0.00 WT1 O ATOM 7625 H1 TIP3 1578 -7.497 -1.191 12.124 1.00 0.00 WT1 H ATOM 7626 H2 TIP3 1578 9.166 13.516 -33.574 1.00 0.00 WT1 H ATOM 7627 OH2 TIP3 1579 -2.334 5.078 4.186 1.00 0.00 WT1 O ATOM 7628 H1 TIP3 1579 14.526 17.237 40.921 1.00 0.00 WT1 H ATOM 7629 H2 TIP3 1579 -4.367 11.169 2.951 1.00 0.00 WT1 H ATOM 7630 OH2 TIP3 1580 -5.763 -0.136 5.503 1.00 0.00 WT1 O ATOM 7631 H1 TIP3 1580 1.627 -0.615 11.869 1.00 0.00 WT1 H ATOM 7632 H2 TIP3 1580 -18.609 11.358 -16.190 1.00 0.00 WT1 H ATOM 7633 OH2 TIP3 1581 0.477 -1.686 -2.022 1.00 0.00 WT1 O ATOM 7634 H1 TIP3 1581 1.946 -9.284 -8.852 1.00 0.00 WT1 H ATOM 7635 H2 TIP3 1581 3.348 -5.906 1.906 1.00 0.00 WT1 H ATOM 7636 OH2 TIP3 1582 -1.900 -0.410 -0.538 1.00 0.00 WT1 O ATOM 7637 H1 TIP3 1582 -5.343 -3.569 7.176 1.00 0.00 WT1 H ATOM 7638 H2 TIP3 1582 0.625 19.506 -17.654 1.00 0.00 WT1 H ATOM 7639 OH2 TIP3 1583 3.504 2.815 -1.223 1.00 0.00 WT1 O ATOM 7640 H1 TIP3 1583 -1.293 -13.237 27.494 1.00 0.00 WT1 H ATOM 7641 H2 TIP3 1583 3.760 15.520 8.482 1.00 0.00 WT1 H ATOM 7642 OH2 TIP3 1584 -3.538 11.952 -4.244 1.00 0.00 WT1 O ATOM 7643 H1 TIP3 1584 -5.564 14.195 -6.625 1.00 0.00 WT1 H ATOM 7644 H2 TIP3 1584 -8.163 8.846 -2.959 1.00 0.00 WT1 H ATOM 7645 OH2 TIP3 1585 9.616 4.845 1.386 1.00 0.00 WT1 O ATOM 7646 H1 TIP3 1585 -5.897 -33.875 9.299 1.00 0.00 WT1 H ATOM 7647 H2 TIP3 1585 1.870 19.557 -14.576 1.00 0.00 WT1 H ATOM 7648 OH2 TIP3 1586 1.865 -0.564 0.565 1.00 0.00 WT1 O ATOM 7649 H1 TIP3 1586 -14.659 -9.454 -0.849 1.00 0.00 WT1 H ATOM 7650 H2 TIP3 1586 4.087 9.989 3.656 1.00 0.00 WT1 H ATOM 7651 OH2 TIP3 1587 -10.007 5.447 6.768 1.00 0.00 WT1 O ATOM 7652 H1 TIP3 1587 -11.316 -14.396 -4.293 1.00 0.00 WT1 H ATOM 7653 H2 TIP3 1587 -10.208 -6.424 -1.120 1.00 0.00 WT1 H ATOM 7654 OH2 TIP3 1588 2.518 -4.351 -4.948 1.00 0.00 WT1 O ATOM 7655 H1 TIP3 1588 1.092 -11.962 -6.358 1.00 0.00 WT1 H ATOM 7656 H2 TIP3 1588 -17.872 -2.467 -9.692 1.00 0.00 WT1 H ATOM 7657 OH2 TIP3 1589 -7.670 -2.214 3.226 1.00 0.00 WT1 O ATOM 7658 H1 TIP3 1589 -3.259 -9.803 0.684 1.00 0.00 WT1 H ATOM 7659 H2 TIP3 1589 -18.495 2.911 -4.202 1.00 0.00 WT1 H ATOM 7660 OH2 TIP3 1590 -0.807 -3.672 0.515 1.00 0.00 WT1 O ATOM 7661 H1 TIP3 1590 -2.540 2.610 5.447 1.00 0.00 WT1 H ATOM 7662 H2 TIP3 1590 -6.956 -1.269 -11.456 1.00 0.00 WT1 H ATOM 7663 OH2 TIP3 1591 2.760 2.245 0.854 1.00 0.00 WT1 O ATOM 7664 H1 TIP3 1591 -20.672 -8.037 8.310 1.00 0.00 WT1 H ATOM 7665 H2 TIP3 1591 -16.013 2.059 1.749 1.00 0.00 WT1 H ATOM 7666 OH2 TIP3 1592 2.210 5.649 -1.171 1.00 0.00 WT1 O ATOM 7667 H1 TIP3 1592 36.186 -6.797 -11.221 1.00 0.00 WT1 H ATOM 7668 H2 TIP3 1592 -5.407 9.920 5.488 1.00 0.00 WT1 H ATOM 7669 OH2 TIP3 1594 0.560 3.776 7.208 1.00 0.00 WT1 O ATOM 7670 H1 TIP3 1594 -7.946 -8.810 5.468 1.00 0.00 WT1 H ATOM 7671 H2 TIP3 1594 -0.022 -5.549 22.491 1.00 0.00 WT1 H ATOM 7672 OH2 TIP3 1596 3.018 -2.484 6.488 1.00 0.00 WT1 O ATOM 7673 H1 TIP3 1596 14.725 3.241 -4.052 1.00 0.00 WT1 H ATOM 7674 H2 TIP3 1596 -3.684 8.589 1.116 1.00 0.00 WT1 H ATOM 7675 OH2 TIP3 1597 -3.453 -0.984 1.419 1.00 0.00 WT1 O ATOM 7676 H1 TIP3 1597 -2.769 2.033 17.550 1.00 0.00 WT1 H ATOM 7677 H2 TIP3 1597 -8.338 10.255 1.916 1.00 0.00 WT1 H ATOM 7678 OH2 TIP3 1598 0.722 3.690 8.267 1.00 0.00 WT1 O ATOM 7679 H1 TIP3 1598 -0.594 2.492 9.788 1.00 0.00 WT1 H ATOM 7680 H2 TIP3 1598 1.517 -4.657 3.102 1.00 0.00 WT1 H ATOM 7681 OH2 TIP3 1599 2.141 -1.554 7.512 1.00 0.00 WT1 O ATOM 7682 H1 TIP3 1599 19.315 -5.057 8.753 1.00 0.00 WT1 H ATOM 7683 H2 TIP3 1599 -2.801 -8.643 12.148 1.00 0.00 WT1 H ATOM 7684 OH2 TIP3 1600 -1.117 -2.290 -3.247 1.00 0.00 WT1 O ATOM 7685 H1 TIP3 1600 -0.623 -2.083 -3.377 1.00 0.00 WT1 H ATOM 7686 H2 TIP3 1600 -4.392 -0.334 0.928 1.00 0.00 WT1 H ATOM 7687 OH2 TIP3 1601 2.329 -5.190 0.379 1.00 0.00 WT1 O ATOM 7688 H1 TIP3 1601 -17.985 -9.072 5.988 1.00 0.00 WT1 H ATOM 7689 H2 TIP3 1601 23.836 -7.241 2.074 1.00 0.00 WT1 H ATOM 7690 OH2 TIP3 1602 -2.675 1.611 6.203 1.00 0.00 WT1 O ATOM 7691 H1 TIP3 1602 -9.289 -20.641 4.884 1.00 0.00 WT1 H ATOM 7692 H2 TIP3 1602 -4.814 5.341 -24.576 1.00 0.00 WT1 H ATOM 7693 OH2 TIP3 1603 2.383 -6.266 2.344 1.00 0.00 WT1 O ATOM 7694 H1 TIP3 1603 13.894 -5.812 -4.045 1.00 0.00 WT1 H ATOM 7695 H2 TIP3 1603 -12.314 -7.432 4.138 1.00 0.00 WT1 H ATOM 7696 OH2 TIP3 1604 -2.325 1.485 3.939 1.00 0.00 WT1 O ATOM 7697 H1 TIP3 1604 -10.987 13.241 -4.710 1.00 0.00 WT1 H ATOM 7698 H2 TIP3 1604 3.676 -11.972 -8.971 1.00 0.00 WT1 H ATOM 7699 OH2 TIP3 1605 3.415 2.346 2.401 1.00 0.00 WT1 O ATOM 7700 H1 TIP3 1605 -5.029 -5.421 5.410 1.00 0.00 WT1 H ATOM 7701 H2 TIP3 1605 7.801 -1.909 8.836 1.00 0.00 WT1 H ATOM 7702 OH2 TIP3 1606 -1.195 5.519 -8.233 1.00 0.00 WT1 O ATOM 7703 H1 TIP3 1606 12.936 1.472 -5.105 1.00 0.00 WT1 H ATOM 7704 H2 TIP3 1606 16.560 -2.112 -7.195 1.00 0.00 WT1 H ATOM 7705 OH2 TIP3 1607 -2.100 2.549 -1.028 1.00 0.00 WT1 O ATOM 7706 H1 TIP3 1607 -2.225 25.618 8.378 1.00 0.00 WT1 H ATOM 7707 H2 TIP3 1607 -5.559 -13.515 -12.298 1.00 0.00 WT1 H ATOM 7708 OH2 TIP3 1608 -7.524 -1.755 3.761 1.00 0.00 WT1 O ATOM 7709 H1 TIP3 1608 -6.233 8.787 8.054 1.00 0.00 WT1 H ATOM 7710 H2 TIP3 1608 -7.097 -9.843 7.001 1.00 0.00 WT1 H ATOM 7711 OH2 TIP3 1609 -0.953 2.781 -8.116 1.00 0.00 WT1 O ATOM 7712 H1 TIP3 1609 8.656 -4.776 0.402 1.00 0.00 WT1 H ATOM 7713 H2 TIP3 1609 21.428 12.199 -3.600 1.00 0.00 WT1 H ATOM 7714 OH2 TIP3 1611 -3.406 -3.124 3.480 1.00 0.00 WT1 O ATOM 7715 H1 TIP3 1611 8.214 -20.992 8.240 1.00 0.00 WT1 H ATOM 7716 H2 TIP3 1611 -4.958 6.590 1.988 1.00 0.00 WT1 H ATOM 7717 OH2 TIP3 1612 0.707 5.621 -0.316 1.00 0.00 WT1 O ATOM 7718 H1 TIP3 1612 -0.497 -6.291 2.156 1.00 0.00 WT1 H ATOM 7719 H2 TIP3 1612 12.071 -0.449 8.821 1.00 0.00 WT1 H ATOM 7720 OH2 TIP3 1613 -0.183 2.940 -5.454 1.00 0.00 WT1 O ATOM 7721 H1 TIP3 1613 -7.786 12.185 -1.322 1.00 0.00 WT1 H ATOM 7722 H2 TIP3 1613 2.852 -0.515 -17.432 1.00 0.00 WT1 H ATOM 7723 OH2 TIP3 1614 -2.212 0.212 3.760 1.00 0.00 WT1 O ATOM 7724 H1 TIP3 1614 2.049 1.535 1.516 1.00 0.00 WT1 H ATOM 7725 H2 TIP3 1614 -1.455 -13.689 -0.991 1.00 0.00 WT1 H ATOM 7726 OH2 TIP3 1615 2.012 4.786 -6.128 1.00 0.00 WT1 O ATOM 7727 H1 TIP3 1615 7.048 8.034 1.421 1.00 0.00 WT1 H ATOM 7728 H2 TIP3 1615 -15.863 4.295 -5.898 1.00 0.00 WT1 H ATOM 7729 OH2 TIP3 1616 0.274 1.985 -4.777 1.00 0.00 WT1 O ATOM 7730 H1 TIP3 1616 -1.954 -1.336 -7.071 1.00 0.00 WT1 H ATOM 7731 H2 TIP3 1616 -6.198 -7.229 -8.228 1.00 0.00 WT1 H ATOM 7732 OH2 TIP3 1617 -2.181 -2.551 0.272 1.00 0.00 WT1 O ATOM 7733 H1 TIP3 1617 5.199 5.535 -21.944 1.00 0.00 WT1 H ATOM 7734 H2 TIP3 1617 -4.222 -0.373 5.424 1.00 0.00 WT1 H ATOM 7735 OH2 TIP3 1618 11.798 -4.698 1.229 1.00 0.00 WT1 O ATOM 7736 H1 TIP3 1618 13.497 -22.807 -2.491 1.00 0.00 WT1 H ATOM 7737 H2 TIP3 1618 16.740 0.698 2.548 1.00 0.00 WT1 H ATOM 7738 OH2 TIP3 1619 -3.722 0.613 2.150 1.00 0.00 WT1 O ATOM 7739 H1 TIP3 1619 1.063 -6.283 2.694 1.00 0.00 WT1 H ATOM 7740 H2 TIP3 1619 11.817 -25.348 -29.564 1.00 0.00 WT1 H ATOM 7741 OH2 TIP3 1620 0.935 4.939 -3.777 1.00 0.00 WT1 O ATOM 7742 H1 TIP3 1620 6.620 16.381 -30.097 1.00 0.00 WT1 H ATOM 7743 H2 TIP3 1620 3.005 4.775 -0.245 1.00 0.00 WT1 H ATOM 7744 OH2 TIP3 1621 -0.287 6.243 7.635 1.00 0.00 WT1 O ATOM 7745 H1 TIP3 1621 -3.518 0.845 14.153 1.00 0.00 WT1 H ATOM 7746 H2 TIP3 1621 -2.052 4.915 1.059 1.00 0.00 WT1 H ATOM 7747 OH2 TIP3 1622 3.968 6.327 3.927 1.00 0.00 WT1 O ATOM 7748 H1 TIP3 1622 12.038 18.933 3.836 1.00 0.00 WT1 H ATOM 7749 H2 TIP3 1622 -13.610 -4.446 -7.734 1.00 0.00 WT1 H ATOM 7750 OH2 TIP3 1623 1.804 -0.295 -4.118 1.00 0.00 WT1 O ATOM 7751 H1 TIP3 1623 2.727 4.829 -2.024 1.00 0.00 WT1 H ATOM 7752 H2 TIP3 1623 0.898 3.395 0.827 1.00 0.00 WT1 H ATOM 7753 OH2 TIP3 1624 -5.543 -0.559 0.606 1.00 0.00 WT1 O ATOM 7754 H1 TIP3 1624 17.473 4.862 19.091 1.00 0.00 WT1 H ATOM 7755 H2 TIP3 1624 -11.081 1.125 1.595 1.00 0.00 WT1 H ATOM 7756 OH2 TIP3 1625 -0.747 -0.655 1.073 1.00 0.00 WT1 O ATOM 7757 H1 TIP3 1625 -1.138 3.699 3.221 1.00 0.00 WT1 H ATOM 7758 H2 TIP3 1625 19.694 -13.825 -4.243 1.00 0.00 WT1 H ATOM 7759 OH2 TIP3 1626 -6.558 -0.501 -3.575 1.00 0.00 WT1 O ATOM 7760 H1 TIP3 1626 -9.129 -4.464 2.314 1.00 0.00 WT1 H ATOM 7761 H2 TIP3 1626 -5.466 8.162 -18.559 1.00 0.00 WT1 H ATOM 7762 OH2 TIP3 1627 -4.817 1.347 -3.333 1.00 0.00 WT1 O ATOM 7763 H1 TIP3 1627 -9.814 -8.665 2.244 1.00 0.00 WT1 H ATOM 7764 H2 TIP3 1627 -4.813 2.572 -3.108 1.00 0.00 WT1 H ATOM 7765 OH2 TIP3 1628 -1.304 2.231 -0.016 1.00 0.00 WT1 O ATOM 7766 H1 TIP3 1628 -15.035 -29.445 -21.769 1.00 0.00 WT1 H ATOM 7767 H2 TIP3 1628 31.477 -18.106 3.824 1.00 0.00 WT1 H ATOM 7768 OH2 TIP3 1629 0.534 0.936 -5.855 1.00 0.00 WT1 O ATOM 7769 H1 TIP3 1629 -9.035 7.698 -9.724 1.00 0.00 WT1 H ATOM 7770 H2 TIP3 1629 -0.273 -4.931 -2.508 1.00 0.00 WT1 H ATOM 7771 OH2 TIP3 1630 1.605 4.816 -1.929 1.00 0.00 WT1 O ATOM 7772 H1 TIP3 1630 9.570 6.961 -8.961 1.00 0.00 WT1 H ATOM 7773 H2 TIP3 1630 -4.452 2.139 -0.160 1.00 0.00 WT1 H ATOM 7774 OH2 TIP3 1632 0.849 -1.255 -1.316 1.00 0.00 WT1 O ATOM 7775 H1 TIP3 1632 8.286 -6.208 -4.555 1.00 0.00 WT1 H ATOM 7776 H2 TIP3 1632 7.606 -13.199 -1.353 1.00 0.00 WT1 H ATOM 7777 OH2 TIP3 1633 -0.206 0.284 -8.565 1.00 0.00 WT1 O ATOM 7778 H1 TIP3 1633 -7.179 9.989 -7.148 1.00 0.00 WT1 H ATOM 7779 H2 TIP3 1633 1.442 -1.943 10.719 1.00 0.00 WT1 H ATOM 7780 OH2 TIP3 1634 -3.222 -2.231 3.593 1.00 0.00 WT1 O ATOM 7781 H1 TIP3 1634 -1.071 -10.784 -2.660 1.00 0.00 WT1 H ATOM 7782 H2 TIP3 1634 0.932 -7.118 2.137 1.00 0.00 WT1 H ATOM 7783 OH2 TIP3 1635 0.148 -5.012 1.443 1.00 0.00 WT1 O ATOM 7784 H1 TIP3 1635 4.356 -6.878 -6.811 1.00 0.00 WT1 H ATOM 7785 H2 TIP3 1635 -0.200 1.863 5.765 1.00 0.00 WT1 H ATOM 7786 OH2 TIP3 1636 -0.090 -2.940 0.821 1.00 0.00 WT1 O ATOM 7787 H1 TIP3 1636 -6.069 -12.228 -8.354 1.00 0.00 WT1 H ATOM 7788 H2 TIP3 1636 -7.788 7.822 7.192 1.00 0.00 WT1 H ATOM 7789 OH2 TIP3 1637 -0.962 -1.833 -4.503 1.00 0.00 WT1 O ATOM 7790 H1 TIP3 1637 15.877 17.973 -2.017 1.00 0.00 WT1 H ATOM 7791 H2 TIP3 1637 -1.453 -10.257 -12.467 1.00 0.00 WT1 H ATOM 7792 OH2 TIP3 1638 0.248 -1.501 -0.656 1.00 0.00 WT1 O ATOM 7793 H1 TIP3 1638 -1.956 -5.477 -2.181 1.00 0.00 WT1 H ATOM 7794 H2 TIP3 1638 -9.687 2.401 8.585 1.00 0.00 WT1 H ATOM 7795 OH2 TIP3 1639 3.125 -5.314 -1.851 1.00 0.00 WT1 O ATOM 7796 H1 TIP3 1639 -5.303 -22.812 0.801 1.00 0.00 WT1 H ATOM 7797 H2 TIP3 1639 -5.368 5.315 11.626 1.00 0.00 WT1 H ATOM 7798 OH2 TIP3 1640 2.260 1.392 -2.817 1.00 0.00 WT1 O ATOM 7799 H1 TIP3 1640 6.317 1.097 -2.963 1.00 0.00 WT1 H ATOM 7800 H2 TIP3 1640 5.883 0.322 -5.191 1.00 0.00 WT1 H ATOM 7801 OH2 TIP3 1641 -1.270 1.242 -0.149 1.00 0.00 WT1 O ATOM 7802 H1 TIP3 1641 14.281 2.154 -26.249 1.00 0.00 WT1 H ATOM 7803 H2 TIP3 1641 -43.068 5.882 -42.202 1.00 0.00 WT1 H ATOM 7804 OH2 TIP3 1642 -2.332 -5.320 -0.757 1.00 0.00 WT1 O ATOM 7805 H1 TIP3 1642 17.519 -6.091 10.838 1.00 0.00 WT1 H ATOM 7806 H2 TIP3 1642 -7.508 -12.097 5.405 1.00 0.00 WT1 H ATOM 7807 OH2 TIP3 1643 -5.123 -1.988 -4.577 1.00 0.00 WT1 O ATOM 7808 H1 TIP3 1643 -2.546 -18.394 19.302 1.00 0.00 WT1 H ATOM 7809 H2 TIP3 1643 -3.903 18.383 -12.451 1.00 0.00 WT1 H ATOM 7810 OH2 TIP3 1645 -0.269 -4.545 0.705 1.00 0.00 WT1 O ATOM 7811 H1 TIP3 1645 0.974 2.432 2.246 1.00 0.00 WT1 H ATOM 7812 H2 TIP3 1645 -4.950 -8.136 5.628 1.00 0.00 WT1 H ATOM 7813 OH2 TIP3 1646 6.097 0.344 1.242 1.00 0.00 WT1 O ATOM 7814 H1 TIP3 1646 -9.655 12.917 16.721 1.00 0.00 WT1 H ATOM 7815 H2 TIP3 1646 0.937 11.211 -3.021 1.00 0.00 WT1 H ATOM 7816 OH2 TIP3 1647 4.700 -3.591 5.594 1.00 0.00 WT1 O ATOM 7817 H1 TIP3 1647 3.037 3.024 6.500 1.00 0.00 WT1 H ATOM 7818 H2 TIP3 1647 6.181 -15.213 2.406 1.00 0.00 WT1 H ATOM 7819 OH2 TIP3 1648 4.219 -3.075 -3.820 1.00 0.00 WT1 O ATOM 7820 H1 TIP3 1648 12.682 -8.249 0.435 1.00 0.00 WT1 H ATOM 7821 H2 TIP3 1648 7.272 7.163 -3.000 1.00 0.00 WT1 H ATOM 7822 OH2 TIP3 1649 -1.821 0.900 2.422 1.00 0.00 WT1 O ATOM 7823 H1 TIP3 1649 -7.039 -16.410 14.891 1.00 0.00 WT1 H ATOM 7824 H2 TIP3 1649 2.368 -2.927 -1.959 1.00 0.00 WT1 H ATOM 7825 OH2 TIP3 1651 6.487 4.774 0.657 1.00 0.00 WT1 O ATOM 7826 H1 TIP3 1651 14.684 3.475 0.862 1.00 0.00 WT1 H ATOM 7827 H2 TIP3 1651 5.913 12.233 -10.800 1.00 0.00 WT1 H ATOM 7828 OH2 TIP3 1652 -0.330 4.755 4.322 1.00 0.00 WT1 O ATOM 7829 H1 TIP3 1652 3.236 -7.787 -0.008 1.00 0.00 WT1 H ATOM 7830 H2 TIP3 1652 -16.448 4.693 1.796 1.00 0.00 WT1 H ATOM 7831 OH2 TIP3 1653 -3.916 2.224 2.971 1.00 0.00 WT1 O ATOM 7832 H1 TIP3 1653 -4.541 -8.184 -10.917 1.00 0.00 WT1 H ATOM 7833 H2 TIP3 1653 -3.665 14.995 1.629 1.00 0.00 WT1 H ATOM 7834 OH2 TIP3 1655 -1.138 6.850 -0.470 1.00 0.00 WT1 O ATOM 7835 H1 TIP3 1655 -8.700 -1.694 -10.332 1.00 0.00 WT1 H ATOM 7836 H2 TIP3 1655 9.202 29.904 18.340 1.00 0.00 WT1 H ATOM 7837 OH2 TIP3 1656 3.176 -6.213 -1.624 1.00 0.00 WT1 O ATOM 7838 H1 TIP3 1656 -12.019 -7.430 11.036 1.00 0.00 WT1 H ATOM 7839 H2 TIP3 1656 6.994 13.386 -1.092 1.00 0.00 WT1 H ATOM 7840 OH2 TIP3 1657 -5.562 -5.467 -2.801 1.00 0.00 WT1 O ATOM 7841 H1 TIP3 1657 4.043 -23.462 1.172 1.00 0.00 WT1 H ATOM 7842 H2 TIP3 1657 5.108 25.091 -7.419 1.00 0.00 WT1 H ATOM 7843 OH2 TIP3 1658 -4.098 -0.810 2.512 1.00 0.00 WT1 O ATOM 7844 H1 TIP3 1658 10.054 6.152 6.356 1.00 0.00 WT1 H ATOM 7845 H2 TIP3 1658 5.067 7.094 2.168 1.00 0.00 WT1 H ATOM 7846 OH2 TIP3 1659 -3.609 -8.200 0.167 1.00 0.00 WT1 O ATOM 7847 H1 TIP3 1659 9.402 4.078 -11.288 1.00 0.00 WT1 H ATOM 7848 H2 TIP3 1659 12.952 -6.803 -8.531 1.00 0.00 WT1 H ATOM 7849 OH2 TIP3 1660 0.036 -3.775 -7.397 1.00 0.00 WT1 O ATOM 7850 H1 TIP3 1660 -12.549 -16.868 -0.117 1.00 0.00 WT1 H ATOM 7851 H2 TIP3 1660 3.967 4.556 -4.386 1.00 0.00 WT1 H ATOM 7852 OH2 TIP3 1661 5.375 -0.942 0.659 1.00 0.00 WT1 O ATOM 7853 H1 TIP3 1661 12.520 -2.503 -12.459 1.00 0.00 WT1 H ATOM 7854 H2 TIP3 1661 9.708 -19.082 9.850 1.00 0.00 WT1 H ATOM 7855 OH2 TIP3 1663 -5.468 -2.982 4.576 1.00 0.00 WT1 O ATOM 7856 H1 TIP3 1663 7.248 -7.287 16.052 1.00 0.00 WT1 H ATOM 7857 H2 TIP3 1663 9.109 -27.297 3.471 1.00 0.00 WT1 H ATOM 7858 OH2 TIP3 1664 -3.698 -0.227 0.804 1.00 0.00 WT1 O ATOM 7859 H1 TIP3 1664 -15.725 5.749 -19.763 1.00 0.00 WT1 H ATOM 7860 H2 TIP3 1664 12.251 26.129 4.652 1.00 0.00 WT1 H ATOM 7861 OH2 TIP3 1665 -1.969 6.241 3.629 1.00 0.00 WT1 O ATOM 7862 H1 TIP3 1665 -5.565 1.919 8.005 1.00 0.00 WT1 H ATOM 7863 H2 TIP3 1665 3.330 15.127 -8.237 1.00 0.00 WT1 H ATOM 7864 OH2 TIP3 1666 -0.456 3.362 0.210 1.00 0.00 WT1 O ATOM 7865 H1 TIP3 1666 21.645 38.341 -6.526 1.00 0.00 WT1 H ATOM 7866 H2 TIP3 1666 -27.231 -10.941 -2.937 1.00 0.00 WT1 H ATOM 7867 OH2 TIP3 1667 0.331 -1.107 -2.481 1.00 0.00 WT1 O ATOM 7868 H1 TIP3 1667 5.261 3.585 0.267 1.00 0.00 WT1 H ATOM 7869 H2 TIP3 1667 -4.200 -10.597 -9.555 1.00 0.00 WT1 H ATOM 7870 OH2 TIP3 1668 0.328 1.036 1.100 1.00 0.00 WT1 O ATOM 7871 H1 TIP3 1668 -11.853 -3.889 15.198 1.00 0.00 WT1 H ATOM 7872 H2 TIP3 1668 2.463 19.209 6.228 1.00 0.00 WT1 H ATOM 7873 OH2 TIP3 1669 -0.392 1.910 0.269 1.00 0.00 WT1 O ATOM 7874 H1 TIP3 1669 2.575 0.279 -0.172 1.00 0.00 WT1 H ATOM 7875 H2 TIP3 1669 -9.254 11.240 -3.460 1.00 0.00 WT1 H ATOM 7876 OH2 TIP3 1670 6.256 -1.934 -4.928 1.00 0.00 WT1 O ATOM 7877 H1 TIP3 1670 16.037 -4.687 -14.537 1.00 0.00 WT1 H ATOM 7878 H2 TIP3 1670 6.298 6.200 -3.139 1.00 0.00 WT1 H ATOM 7879 OH2 TIP3 1671 -3.142 1.374 3.996 1.00 0.00 WT1 O ATOM 7880 H1 TIP3 1671 15.292 2.013 6.093 1.00 0.00 WT1 H ATOM 7881 H2 TIP3 1671 -19.138 2.554 14.015 1.00 0.00 WT1 H ATOM 7882 OH2 TIP3 1672 1.397 6.118 -6.595 1.00 0.00 WT1 O ATOM 7883 H1 TIP3 1672 7.619 7.816 -1.266 1.00 0.00 WT1 H ATOM 7884 H2 TIP3 1672 6.379 -16.991 5.296 1.00 0.00 WT1 H ATOM 7885 OH2 TIP3 1673 4.558 -2.381 1.824 1.00 0.00 WT1 O ATOM 7886 H1 TIP3 1673 -18.294 25.615 12.713 1.00 0.00 WT1 H ATOM 7887 H2 TIP3 1673 -7.047 11.209 8.736 1.00 0.00 WT1 H ATOM 7888 OH2 TIP3 1675 -1.616 0.639 -0.500 1.00 0.00 WT1 O ATOM 7889 H1 TIP3 1675 11.494 -1.742 -12.254 1.00 0.00 WT1 H ATOM 7890 H2 TIP3 1675 -12.120 -1.996 -12.812 1.00 0.00 WT1 H ATOM 7891 OH2 TIP3 1676 6.132 0.231 3.297 1.00 0.00 WT1 O ATOM 7892 H1 TIP3 1676 -16.039 -11.280 17.057 1.00 0.00 WT1 H ATOM 7893 H2 TIP3 1676 -3.795 1.388 1.434 1.00 0.00 WT1 H ATOM 7894 OH2 TIP3 1677 2.480 1.485 2.260 1.00 0.00 WT1 O ATOM 7895 H1 TIP3 1677 10.346 7.713 -6.845 1.00 0.00 WT1 H ATOM 7896 H2 TIP3 1677 -3.962 13.363 1.999 1.00 0.00 WT1 H ATOM 7897 OH2 TIP3 1678 -1.291 0.117 -2.050 1.00 0.00 WT1 O ATOM 7898 H1 TIP3 1678 -9.018 8.497 3.900 1.00 0.00 WT1 H ATOM 7899 H2 TIP3 1678 -4.830 2.975 -2.697 1.00 0.00 WT1 H ATOM 7900 OH2 TIP3 1679 1.787 3.543 -1.499 1.00 0.00 WT1 O ATOM 7901 H1 TIP3 1679 1.237 -20.391 6.756 1.00 0.00 WT1 H ATOM 7902 H2 TIP3 1679 -12.697 8.137 8.264 1.00 0.00 WT1 H ATOM 7903 OH2 TIP3 1680 -7.526 2.153 -1.132 1.00 0.00 WT1 O ATOM 7904 H1 TIP3 1680 13.610 9.381 13.252 1.00 0.00 WT1 H ATOM 7905 H2 TIP3 1680 -12.035 -16.815 -24.111 1.00 0.00 WT1 H ATOM 7906 OH2 TIP3 1681 -3.588 -0.166 3.182 1.00 0.00 WT1 O ATOM 7907 H1 TIP3 1681 -5.210 -3.010 0.146 1.00 0.00 WT1 H ATOM 7908 H2 TIP3 1681 -4.635 -2.200 1.238 1.00 0.00 WT1 H ATOM 7909 OH2 TIP3 1682 2.393 2.021 4.254 1.00 0.00 WT1 O ATOM 7910 H1 TIP3 1682 -2.803 8.126 3.984 1.00 0.00 WT1 H ATOM 7911 H2 TIP3 1682 15.231 -3.865 11.507 1.00 0.00 WT1 H ATOM 7912 OH2 TIP3 1683 1.393 2.331 -7.737 1.00 0.00 WT1 O ATOM 7913 H1 TIP3 1683 0.677 15.477 6.052 1.00 0.00 WT1 H ATOM 7914 H2 TIP3 1683 4.179 3.096 -1.995 1.00 0.00 WT1 H ATOM 7915 OH2 TIP3 1684 -0.671 1.427 -2.891 1.00 0.00 WT1 O ATOM 7916 H1 TIP3 1684 4.348 -13.227 0.611 1.00 0.00 WT1 H ATOM 7917 H2 TIP3 1684 0.937 0.459 -0.542 1.00 0.00 WT1 H ATOM 7918 OH2 TIP3 1685 2.642 1.704 -1.663 1.00 0.00 WT1 O ATOM 7919 H1 TIP3 1685 -3.717 6.107 -2.120 1.00 0.00 WT1 H ATOM 7920 H2 TIP3 1685 14.129 -12.107 -8.744 1.00 0.00 WT1 H ATOM 7921 OH2 TIP3 1686 -2.059 0.764 -5.799 1.00 0.00 WT1 O ATOM 7922 H1 TIP3 1686 -4.155 9.573 -8.563 1.00 0.00 WT1 H ATOM 7923 H2 TIP3 1686 0.701 10.961 0.547 1.00 0.00 WT1 H ATOM 7924 OH2 TIP3 1687 3.987 -0.375 -0.380 1.00 0.00 WT1 O ATOM 7925 H1 TIP3 1687 -4.078 -16.955 14.130 1.00 0.00 WT1 H ATOM 7926 H2 TIP3 1687 -8.083 -2.104 1.251 1.00 0.00 WT1 H ATOM 7927 OH2 TIP3 1688 -4.256 1.485 2.453 1.00 0.00 WT1 O ATOM 7928 H1 TIP3 1688 -1.806 -12.770 -14.793 1.00 0.00 WT1 H ATOM 7929 H2 TIP3 1688 -5.199 1.312 3.343 1.00 0.00 WT1 H ATOM 7930 OH2 TIP3 1689 5.479 -4.641 -0.318 1.00 0.00 WT1 O ATOM 7931 H1 TIP3 1689 -23.895 13.397 3.337 1.00 0.00 WT1 H ATOM 7932 H2 TIP3 1689 8.024 -5.760 -0.909 1.00 0.00 WT1 H ATOM 7933 OH2 TIP3 1690 -0.172 3.192 -2.636 1.00 0.00 WT1 O ATOM 7934 H1 TIP3 1690 20.954 9.028 20.827 1.00 0.00 WT1 H ATOM 7935 H2 TIP3 1690 5.166 4.746 3.019 1.00 0.00 WT1 H ATOM 7936 OH2 TIP3 1691 -2.259 -5.977 0.065 1.00 0.00 WT1 O ATOM 7937 H1 TIP3 1691 -2.478 22.891 1.079 1.00 0.00 WT1 H ATOM 7938 H2 TIP3 1691 -1.297 -20.727 2.080 1.00 0.00 WT1 H ATOM 7939 OH2 TIP3 1692 -5.926 3.385 1.145 1.00 0.00 WT1 O ATOM 7940 H1 TIP3 1692 9.491 2.518 -5.918 1.00 0.00 WT1 H ATOM 7941 H2 TIP3 1692 -4.174 -6.427 -6.857 1.00 0.00 WT1 H ATOM 7942 OH2 TIP3 1693 3.615 1.767 5.614 1.00 0.00 WT1 O ATOM 7943 H1 TIP3 1693 0.691 -8.313 -1.445 1.00 0.00 WT1 H ATOM 7944 H2 TIP3 1693 4.411 -3.371 -2.571 1.00 0.00 WT1 H ATOM 7945 OH2 TIP3 1694 -5.016 0.927 -1.070 1.00 0.00 WT1 O ATOM 7946 H1 TIP3 1694 -16.100 -18.012 6.097 1.00 0.00 WT1 H ATOM 7947 H2 TIP3 1694 -13.578 -7.453 -7.813 1.00 0.00 WT1 H ATOM 7948 OH2 TIP3 1696 -2.855 -3.208 1.640 1.00 0.00 WT1 O ATOM 7949 H1 TIP3 1696 4.280 5.112 21.193 1.00 0.00 WT1 H ATOM 7950 H2 TIP3 1696 13.034 -1.154 -7.329 1.00 0.00 WT1 H ATOM 7951 OH2 TIP3 1697 0.076 5.723 1.426 1.00 0.00 WT1 O ATOM 7952 H1 TIP3 1697 -5.307 2.916 3.344 1.00 0.00 WT1 H ATOM 7953 H2 TIP3 1697 -10.883 -0.636 4.408 1.00 0.00 WT1 H ATOM 7954 OH2 TIP3 1698 5.701 5.798 -2.980 1.00 0.00 WT1 O ATOM 7955 H1 TIP3 1698 15.106 -37.092 19.305 1.00 0.00 WT1 H ATOM 7956 H2 TIP3 1698 22.744 -14.202 -11.226 1.00 0.00 WT1 H ATOM 7957 OH2 TIP3 1700 5.729 -1.064 -7.792 1.00 0.00 WT1 O ATOM 7958 H1 TIP3 1700 -0.605 17.239 -16.116 1.00 0.00 WT1 H ATOM 7959 H2 TIP3 1700 7.319 8.000 -11.934 1.00 0.00 WT1 H ATOM 7960 OH2 TIP3 1701 -2.276 -0.662 -3.403 1.00 0.00 WT1 O ATOM 7961 H1 TIP3 1701 -9.075 7.751 5.263 1.00 0.00 WT1 H ATOM 7962 H2 TIP3 1701 0.871 9.612 -13.709 1.00 0.00 WT1 H ATOM 7963 OH2 TIP3 1702 -4.441 3.095 1.283 1.00 0.00 WT1 O ATOM 7964 H1 TIP3 1702 -10.437 -5.968 -3.221 1.00 0.00 WT1 H ATOM 7965 H2 TIP3 1702 0.968 9.256 4.405 1.00 0.00 WT1 H ATOM 7966 OH2 TIP3 1703 -0.734 6.364 1.729 1.00 0.00 WT1 O ATOM 7967 H1 TIP3 1703 -11.124 -0.033 -18.230 1.00 0.00 WT1 H ATOM 7968 H2 TIP3 1703 -6.102 9.508 -1.742 1.00 0.00 WT1 H ATOM 7969 OH2 TIP3 1704 3.329 -2.829 4.236 1.00 0.00 WT1 O ATOM 7970 H1 TIP3 1704 2.039 -2.350 7.782 1.00 0.00 WT1 H ATOM 7971 H2 TIP3 1704 18.099 1.222 -22.424 1.00 0.00 WT1 H ATOM 7972 OH2 TIP3 1706 -4.096 -2.608 0.597 1.00 0.00 WT1 O ATOM 7973 H1 TIP3 1706 5.232 2.156 3.481 1.00 0.00 WT1 H ATOM 7974 H2 TIP3 1706 -13.214 -0.416 -4.208 1.00 0.00 WT1 H ATOM 7975 OH2 TIP3 1707 -4.342 -2.368 1.275 1.00 0.00 WT1 O ATOM 7976 H1 TIP3 1707 0.365 13.486 -6.321 1.00 0.00 WT1 H ATOM 7977 H2 TIP3 1707 -1.174 -16.619 -6.216 1.00 0.00 WT1 H ATOM 7978 OH2 TIP3 1708 3.184 4.477 2.442 1.00 0.00 WT1 O ATOM 7979 H1 TIP3 1708 -9.905 8.885 3.474 1.00 0.00 WT1 H ATOM 7980 H2 TIP3 1708 8.396 7.525 6.102 1.00 0.00 WT1 H ATOM 7981 OH2 TIP3 1710 -3.019 -5.136 5.110 1.00 0.00 WT1 O ATOM 7982 H1 TIP3 1710 -3.375 3.396 -3.438 1.00 0.00 WT1 H ATOM 7983 H2 TIP3 1710 5.067 -3.547 13.506 1.00 0.00 WT1 H ATOM 7984 OH2 TIP3 1711 -1.030 -5.779 -7.145 1.00 0.00 WT1 O ATOM 7985 H1 TIP3 1711 8.631 -16.578 15.021 1.00 0.00 WT1 H ATOM 7986 H2 TIP3 1711 -3.580 -12.136 2.262 1.00 0.00 WT1 H ATOM 7987 OH2 TIP3 1713 -2.919 1.206 0.583 1.00 0.00 WT1 O ATOM 7988 H1 TIP3 1713 -0.943 6.140 -6.211 1.00 0.00 WT1 H ATOM 7989 H2 TIP3 1713 -20.020 -1.280 -5.646 1.00 0.00 WT1 H ATOM 7990 OH2 TIP3 1714 1.243 -5.963 1.618 1.00 0.00 WT1 O ATOM 7991 H1 TIP3 1714 -0.371 -7.889 -1.001 1.00 0.00 WT1 H ATOM 7992 H2 TIP3 1714 -0.173 -7.612 2.863 1.00 0.00 WT1 H ATOM 7993 OH2 TIP3 1715 4.033 -9.436 -3.650 1.00 0.00 WT1 O ATOM 7994 H1 TIP3 1715 -12.606 -7.970 -3.715 1.00 0.00 WT1 H ATOM 7995 H2 TIP3 1715 7.230 -8.881 3.077 1.00 0.00 WT1 H ATOM 7996 OH2 TIP3 1716 -2.218 -2.158 2.849 1.00 0.00 WT1 O ATOM 7997 H1 TIP3 1716 14.520 -13.105 4.186 1.00 0.00 WT1 H ATOM 7998 H2 TIP3 1716 -14.959 -13.596 0.923 1.00 0.00 WT1 H ATOM 7999 OH2 TIP3 1717 0.707 4.491 4.593 1.00 0.00 WT1 O ATOM 8000 H1 TIP3 1717 1.025 6.799 -11.790 1.00 0.00 WT1 H ATOM 8001 H2 TIP3 1717 0.575 -2.697 -2.189 1.00 0.00 WT1 H ATOM 8002 OH2 TIP3 1718 3.555 -1.658 3.540 1.00 0.00 WT1 O ATOM 8003 H1 TIP3 1718 3.229 0.866 5.484 1.00 0.00 WT1 H ATOM 8004 H2 TIP3 1718 10.668 -6.020 0.638 1.00 0.00 WT1 H ATOM 8005 OH2 TIP3 1719 1.865 4.503 0.264 1.00 0.00 WT1 O ATOM 8006 H1 TIP3 1719 16.182 8.777 21.997 1.00 0.00 WT1 H ATOM 8007 H2 TIP3 1719 -33.295 6.924 -29.064 1.00 0.00 WT1 H ATOM 8008 OH2 TIP3 1720 -6.439 -1.626 1.648 1.00 0.00 WT1 O ATOM 8009 H1 TIP3 1720 -14.749 12.257 5.955 1.00 0.00 WT1 H ATOM 8010 H2 TIP3 1720 2.937 35.028 4.170 1.00 0.00 WT1 H ATOM 8011 OH2 TIP3 1721 -3.716 5.111 3.414 1.00 0.00 WT1 O ATOM 8012 H1 TIP3 1721 -0.625 1.425 3.621 1.00 0.00 WT1 H ATOM 8013 H2 TIP3 1721 -2.465 11.715 -15.726 1.00 0.00 WT1 H ATOM 8014 OH2 TIP3 1722 8.165 7.408 -0.535 1.00 0.00 WT1 O ATOM 8015 H1 TIP3 1722 8.873 7.276 -0.034 1.00 0.00 WT1 H ATOM 8016 H2 TIP3 1722 -0.899 -2.585 7.781 1.00 0.00 WT1 H ATOM 8017 OH2 TIP3 1723 0.101 -2.847 2.379 1.00 0.00 WT1 O ATOM 8018 H1 TIP3 1723 -0.775 4.525 8.876 1.00 0.00 WT1 H ATOM 8019 H2 TIP3 1723 -1.106 1.914 -1.870 1.00 0.00 WT1 H ATOM 8020 OH2 TIP3 1724 -2.355 -6.145 3.442 1.00 0.00 WT1 O ATOM 8021 H1 TIP3 1724 -22.151 25.812 31.902 1.00 0.00 WT1 H ATOM 8022 H2 TIP3 1724 4.519 -3.454 -22.236 1.00 0.00 WT1 H ATOM 8023 OH2 TIP3 1725 2.500 5.921 4.245 1.00 0.00 WT1 O ATOM 8024 H1 TIP3 1725 5.205 2.132 -12.725 1.00 0.00 WT1 H ATOM 8025 H2 TIP3 1725 -16.945 -4.899 11.811 1.00 0.00 WT1 H ATOM 8026 OH2 TIP3 1726 2.232 -3.033 -1.315 1.00 0.00 WT1 O ATOM 8027 H1 TIP3 1726 9.467 10.075 -6.497 1.00 0.00 WT1 H ATOM 8028 H2 TIP3 1726 -13.366 6.453 0.094 1.00 0.00 WT1 H ATOM 8029 OH2 TIP3 1727 0.255 2.031 4.999 1.00 0.00 WT1 O ATOM 8030 H1 TIP3 1727 17.604 -4.036 9.754 1.00 0.00 WT1 H ATOM 8031 H2 TIP3 1727 -20.552 10.603 0.549 1.00 0.00 WT1 H ATOM 8032 OH2 TIP3 1728 -1.467 -1.795 -0.999 1.00 0.00 WT1 O ATOM 8033 H1 TIP3 1728 -3.856 6.084 10.970 1.00 0.00 WT1 H ATOM 8034 H2 TIP3 1728 4.280 -8.046 0.551 1.00 0.00 WT1 H ATOM 8035 OH2 TIP3 1729 -4.235 -6.569 0.531 1.00 0.00 WT1 O ATOM 8036 H1 TIP3 1729 6.837 11.995 8.154 1.00 0.00 WT1 H ATOM 8037 H2 TIP3 1729 10.457 -18.114 -3.289 1.00 0.00 WT1 H ATOM 8038 OH2 TIP3 1730 6.349 0.228 -4.527 1.00 0.00 WT1 O ATOM 8039 H1 TIP3 1730 25.122 -3.442 -27.150 1.00 0.00 WT1 H ATOM 8040 H2 TIP3 1730 -22.488 19.691 10.675 1.00 0.00 WT1 H ATOM 8041 OH2 TIP3 1731 4.713 2.135 1.205 1.00 0.00 WT1 O ATOM 8042 H1 TIP3 1731 2.985 -4.133 -4.799 1.00 0.00 WT1 H ATOM 8043 H2 TIP3 1731 4.651 6.952 -1.292 1.00 0.00 WT1 H ATOM 8044 OH2 TIP3 1732 1.768 0.448 0.903 1.00 0.00 WT1 O ATOM 8045 H1 TIP3 1732 6.546 4.617 3.227 1.00 0.00 WT1 H ATOM 8046 H2 TIP3 1732 1.515 0.908 3.210 1.00 0.00 WT1 H ATOM 8047 OH2 TIP3 1733 -1.587 2.497 -5.974 1.00 0.00 WT1 O ATOM 8048 H1 TIP3 1733 0.489 0.464 -8.118 1.00 0.00 WT1 H ATOM 8049 H2 TIP3 1733 1.285 8.722 13.324 1.00 0.00 WT1 H ATOM 8050 OH2 TIP3 1734 -0.700 -5.120 1.324 1.00 0.00 WT1 O ATOM 8051 H1 TIP3 1734 -3.205 1.093 10.308 1.00 0.00 WT1 H ATOM 8052 H2 TIP3 1734 3.101 -1.235 -12.464 1.00 0.00 WT1 H ATOM 8053 OH2 TIP3 1735 -4.193 -1.357 1.348 1.00 0.00 WT1 O ATOM 8054 H1 TIP3 1735 -2.908 10.565 -7.983 1.00 0.00 WT1 H ATOM 8055 H2 TIP3 1735 -1.551 -13.763 -3.833 1.00 0.00 WT1 H ATOM 8056 OH2 TIP3 1736 1.858 -3.271 0.500 1.00 0.00 WT1 O ATOM 8057 H1 TIP3 1736 3.761 -9.171 12.820 1.00 0.00 WT1 H ATOM 8058 H2 TIP3 1736 -0.227 -7.396 4.528 1.00 0.00 WT1 H ATOM 8059 OH2 TIP3 1737 0.764 6.666 -0.984 1.00 0.00 WT1 O ATOM 8060 H1 TIP3 1737 7.311 -7.829 -2.143 1.00 0.00 WT1 H ATOM 8061 H2 TIP3 1737 -13.600 5.264 -5.015 1.00 0.00 WT1 H ATOM 8062 OH2 TIP3 1738 4.936 2.398 -4.206 1.00 0.00 WT1 O ATOM 8063 H1 TIP3 1738 -5.887 14.661 -8.739 1.00 0.00 WT1 H ATOM 8064 H2 TIP3 1738 32.402 -3.178 -23.634 1.00 0.00 WT1 H ATOM 8065 OH2 TIP3 1739 -1.730 0.093 3.857 1.00 0.00 WT1 O ATOM 8066 H1 TIP3 1739 -9.391 1.452 13.256 1.00 0.00 WT1 H ATOM 8067 H2 TIP3 1739 -2.651 -11.800 0.628 1.00 0.00 WT1 H ATOM 8068 OH2 TIP3 1741 0.272 -3.344 -5.505 1.00 0.00 WT1 O ATOM 8069 H1 TIP3 1741 0.343 -9.785 -4.327 1.00 0.00 WT1 H ATOM 8070 H2 TIP3 1741 -1.024 -19.263 18.895 1.00 0.00 WT1 H ATOM 8071 OH2 TIP3 1742 -3.516 -3.786 -1.535 1.00 0.00 WT1 O ATOM 8072 H1 TIP3 1742 10.639 5.637 9.371 1.00 0.00 WT1 H ATOM 8073 H2 TIP3 1742 15.204 10.691 15.274 1.00 0.00 WT1 H ATOM 8074 OH2 TIP3 1743 1.215 -2.682 4.151 1.00 0.00 WT1 O ATOM 8075 H1 TIP3 1743 1.598 7.660 5.786 1.00 0.00 WT1 H ATOM 8076 H2 TIP3 1743 4.377 6.619 5.318 1.00 0.00 WT1 H ATOM 8077 OH2 TIP3 1744 3.492 1.380 2.023 1.00 0.00 WT1 O ATOM 8078 H1 TIP3 1744 -6.783 -10.730 2.487 1.00 0.00 WT1 H ATOM 8079 H2 TIP3 1744 -5.609 2.139 -12.185 1.00 0.00 WT1 H ATOM 8080 OH2 TIP3 1745 4.171 -0.580 2.797 1.00 0.00 WT1 O ATOM 8081 H1 TIP3 1745 -28.037 7.150 -19.672 1.00 0.00 WT1 H ATOM 8082 H2 TIP3 1745 24.030 -23.774 7.139 1.00 0.00 WT1 H ATOM 8083 OH2 TIP3 1746 -3.720 -0.423 -3.439 1.00 0.00 WT1 O ATOM 8084 H1 TIP3 1746 -16.684 -13.556 10.880 1.00 0.00 WT1 H ATOM 8085 H2 TIP3 1746 -16.025 -16.549 12.146 1.00 0.00 WT1 H ATOM 8086 OH2 TIP3 1747 6.486 0.679 4.477 1.00 0.00 WT1 O ATOM 8087 H1 TIP3 1747 -1.165 6.414 -11.540 1.00 0.00 WT1 H ATOM 8088 H2 TIP3 1747 -8.565 7.395 18.502 1.00 0.00 WT1 H ATOM 8089 OH2 TIP3 1748 2.286 2.829 -4.683 1.00 0.00 WT1 O ATOM 8090 H1 TIP3 1748 -4.928 5.802 0.918 1.00 0.00 WT1 H ATOM 8091 H2 TIP3 1748 17.047 -1.987 -16.563 1.00 0.00 WT1 H ATOM 8092 OH2 TIP3 1749 -4.799 -2.727 -2.776 1.00 0.00 WT1 O ATOM 8093 H1 TIP3 1749 -3.022 -1.722 -6.637 1.00 0.00 WT1 H ATOM 8094 H2 TIP3 1749 0.657 7.063 -27.295 1.00 0.00 WT1 H ATOM 8095 OH2 TIP3 1750 -2.692 -8.536 8.035 1.00 0.00 WT1 O ATOM 8096 H1 TIP3 1750 2.707 -30.728 3.531 1.00 0.00 WT1 H ATOM 8097 H2 TIP3 1750 7.412 -19.926 11.722 1.00 0.00 WT1 H ATOM 8098 OH2 TIP3 1751 -1.301 -0.235 7.240 1.00 0.00 WT1 O ATOM 8099 H1 TIP3 1751 -7.527 -17.371 -11.819 1.00 0.00 WT1 H ATOM 8100 H2 TIP3 1751 -4.694 -18.046 -13.078 1.00 0.00 WT1 H ATOM 8101 OH2 TIP3 1752 -5.065 -4.506 -2.165 1.00 0.00 WT1 O ATOM 8102 H1 TIP3 1752 6.797 4.566 -14.999 1.00 0.00 WT1 H ATOM 8103 H2 TIP3 1752 0.783 6.963 -16.005 1.00 0.00 WT1 H ATOM 8104 OH2 TIP3 1753 2.115 1.919 1.122 1.00 0.00 WT1 O ATOM 8105 H1 TIP3 1753 13.663 21.825 -0.813 1.00 0.00 WT1 H ATOM 8106 H2 TIP3 1753 9.140 10.998 -8.010 1.00 0.00 WT1 H ATOM 8107 OH2 TIP3 1754 -2.742 2.941 4.284 1.00 0.00 WT1 O ATOM 8108 H1 TIP3 1754 6.704 13.103 -0.620 1.00 0.00 WT1 H ATOM 8109 H2 TIP3 1754 -3.382 -9.652 -9.300 1.00 0.00 WT1 H ATOM 8110 OH2 TIP3 1755 3.382 -0.713 -10.307 1.00 0.00 WT1 O ATOM 8111 H1 TIP3 1755 20.385 3.010 -13.334 1.00 0.00 WT1 H ATOM 8112 H2 TIP3 1755 -4.436 -14.980 -14.156 1.00 0.00 WT1 H ATOM 8113 OH2 TIP3 1756 0.539 5.038 0.125 1.00 0.00 WT1 O ATOM 8114 H1 TIP3 1756 -4.443 8.825 14.565 1.00 0.00 WT1 H ATOM 8115 H2 TIP3 1756 -15.305 -5.013 19.072 1.00 0.00 WT1 H ATOM 8116 OH2 TIP3 1757 0.223 0.107 1.134 1.00 0.00 WT1 O ATOM 8117 H1 TIP3 1757 -7.756 -23.929 -1.080 1.00 0.00 WT1 H ATOM 8118 H2 TIP3 1757 22.773 2.282 13.893 1.00 0.00 WT1 H ATOM 8119 OH2 TIP3 1758 -4.720 -1.641 -2.355 1.00 0.00 WT1 O ATOM 8120 H1 TIP3 1758 6.507 20.598 -14.656 1.00 0.00 WT1 H ATOM 8121 H2 TIP3 1758 -7.144 -11.746 -7.735 1.00 0.00 WT1 H ATOM 8122 OH2 TIP3 1759 0.783 8.681 0.358 1.00 0.00 WT1 O ATOM 8123 H1 TIP3 1759 -0.261 -6.183 -2.162 1.00 0.00 WT1 H ATOM 8124 H2 TIP3 1759 35.144 -8.499 15.722 1.00 0.00 WT1 H ATOM 8125 OH2 TIP3 1760 -2.822 -6.356 -3.752 1.00 0.00 WT1 O ATOM 8126 H1 TIP3 1760 -3.294 0.052 0.546 1.00 0.00 WT1 H ATOM 8127 H2 TIP3 1760 4.024 7.795 -10.795 1.00 0.00 WT1 H ATOM 8128 OH2 TIP3 1761 2.237 -3.447 -4.059 1.00 0.00 WT1 O ATOM 8129 H1 TIP3 1761 22.551 1.895 -14.395 1.00 0.00 WT1 H ATOM 8130 H2 TIP3 1761 -11.212 -7.097 3.486 1.00 0.00 WT1 H ATOM 8131 OH2 TIP3 1762 0.706 -3.094 -1.731 1.00 0.00 WT1 O ATOM 8132 H1 TIP3 1762 -15.505 4.231 10.352 1.00 0.00 WT1 H ATOM 8133 H2 TIP3 1762 1.975 2.587 3.585 1.00 0.00 WT1 H ATOM 8134 OH2 TIP3 1763 -6.854 -2.178 -3.123 1.00 0.00 WT1 O ATOM 8135 H1 TIP3 1763 -17.876 -8.393 4.047 1.00 0.00 WT1 H ATOM 8136 H2 TIP3 1763 10.877 7.370 -0.488 1.00 0.00 WT1 H ATOM 8137 OH2 TIP3 1764 3.081 -3.045 0.471 1.00 0.00 WT1 O ATOM 8138 H1 TIP3 1764 -2.642 -13.775 -17.928 1.00 0.00 WT1 H ATOM 8139 H2 TIP3 1764 -7.031 15.080 2.128 1.00 0.00 WT1 H ATOM 8140 OH2 TIP3 1765 2.144 1.295 0.433 1.00 0.00 WT1 O ATOM 8141 H1 TIP3 1765 8.587 10.257 -12.460 1.00 0.00 WT1 H ATOM 8142 H2 TIP3 1765 -8.009 -22.215 31.825 1.00 0.00 WT1 H ATOM 8143 OH2 TIP3 1766 2.384 -0.996 -8.721 1.00 0.00 WT1 O ATOM 8144 H1 TIP3 1766 16.025 -13.979 19.270 1.00 0.00 WT1 H ATOM 8145 H2 TIP3 1766 -2.852 12.003 2.431 1.00 0.00 WT1 H ATOM 8146 OH2 TIP3 1767 -1.143 -3.881 -1.234 1.00 0.00 WT1 O ATOM 8147 H1 TIP3 1767 11.955 -4.590 4.739 1.00 0.00 WT1 H ATOM 8148 H2 TIP3 1767 -5.300 -1.763 0.359 1.00 0.00 WT1 H ATOM 8149 OH2 TIP3 1768 -1.199 0.017 2.033 1.00 0.00 WT1 O ATOM 8150 H1 TIP3 1768 -2.894 -0.751 3.028 1.00 0.00 WT1 H ATOM 8151 H2 TIP3 1768 -11.843 6.561 0.155 1.00 0.00 WT1 H ATOM 8152 OH2 TIP3 1769 -2.103 4.830 -1.231 1.00 0.00 WT1 O ATOM 8153 H1 TIP3 1769 -5.119 31.564 -4.719 1.00 0.00 WT1 H ATOM 8154 H2 TIP3 1769 -6.194 7.129 5.750 1.00 0.00 WT1 H ATOM 8155 OH2 TIP3 1770 -0.588 -6.959 -8.853 1.00 0.00 WT1 O ATOM 8156 H1 TIP3 1770 -6.888 -0.815 -25.688 1.00 0.00 WT1 H ATOM 8157 H2 TIP3 1770 13.934 15.296 29.327 1.00 0.00 WT1 H ATOM 8158 OH2 TIP3 1771 -3.524 0.853 -2.771 1.00 0.00 WT1 O ATOM 8159 H1 TIP3 1771 3.602 -12.522 -12.967 1.00 0.00 WT1 H ATOM 8160 H2 TIP3 1771 -6.758 7.568 2.723 1.00 0.00 WT1 H ATOM 8161 OH2 TIP3 1772 3.883 -1.059 3.343 1.00 0.00 WT1 O ATOM 8162 H1 TIP3 1772 22.758 -0.107 10.893 1.00 0.00 WT1 H ATOM 8163 H2 TIP3 1772 4.646 -29.847 -2.062 1.00 0.00 WT1 H ATOM 8164 OH2 TIP3 1773 -3.396 3.013 2.220 1.00 0.00 WT1 O ATOM 8165 H1 TIP3 1773 -11.335 -19.977 0.231 1.00 0.00 WT1 H ATOM 8166 H2 TIP3 1773 -11.355 13.468 3.923 1.00 0.00 WT1 H ATOM 8167 OH2 TIP3 1774 -1.715 -5.746 -4.035 1.00 0.00 WT1 O ATOM 8168 H1 TIP3 1774 -17.622 -3.942 -4.673 1.00 0.00 WT1 H ATOM 8169 H2 TIP3 1774 6.033 -13.853 -0.161 1.00 0.00 WT1 H ATOM 8170 OH2 TIP3 1775 3.264 5.496 0.514 1.00 0.00 WT1 O ATOM 8171 H1 TIP3 1775 25.128 -10.926 13.492 1.00 0.00 WT1 H ATOM 8172 H2 TIP3 1775 -39.879 -22.129 -10.099 1.00 0.00 WT1 H ATOM 8173 OH2 TIP3 1776 3.817 0.186 0.279 1.00 0.00 WT1 O ATOM 8174 H1 TIP3 1776 0.783 7.827 -5.237 1.00 0.00 WT1 H ATOM 8175 H2 TIP3 1776 11.621 1.664 19.333 1.00 0.00 WT1 H ATOM 8176 OH2 TIP3 1777 -3.500 -4.241 3.303 1.00 0.00 WT1 O ATOM 8177 H1 TIP3 1777 -9.654 1.071 15.629 1.00 0.00 WT1 H ATOM 8178 H2 TIP3 1777 4.298 7.301 -0.321 1.00 0.00 WT1 H ATOM 8179 OH2 TIP3 1778 -4.231 -8.186 6.370 1.00 0.00 WT1 O ATOM 8180 H1 TIP3 1778 18.494 10.799 -5.974 1.00 0.00 WT1 H ATOM 8181 H2 TIP3 1778 -27.678 6.032 -3.099 1.00 0.00 WT1 H ATOM 8182 OH2 TIP3 1779 0.849 0.514 10.267 1.00 0.00 WT1 O ATOM 8183 H1 TIP3 1779 6.495 18.286 15.334 1.00 0.00 WT1 H ATOM 8184 H2 TIP3 1779 6.669 -0.651 -3.539 1.00 0.00 WT1 H ATOM 8185 OH2 TIP3 1781 5.867 -5.432 -9.161 1.00 0.00 WT1 O ATOM 8186 H1 TIP3 1781 -9.868 -10.494 -21.539 1.00 0.00 WT1 H ATOM 8187 H2 TIP3 1781 7.327 -6.466 -8.762 1.00 0.00 WT1 H ATOM 8188 OH2 TIP3 1782 -3.164 5.623 -0.653 1.00 0.00 WT1 O ATOM 8189 H1 TIP3 1782 -1.819 -2.218 -11.792 1.00 0.00 WT1 H ATOM 8190 H2 TIP3 1782 20.420 -2.729 -5.721 1.00 0.00 WT1 H ATOM 8191 OH2 TIP3 1783 -0.200 1.154 -2.479 1.00 0.00 WT1 O ATOM 8192 H1 TIP3 1783 13.630 4.307 8.299 1.00 0.00 WT1 H ATOM 8193 H2 TIP3 1783 -6.953 17.347 -6.230 1.00 0.00 WT1 H ATOM 8194 OH2 TIP3 1784 -4.771 -5.904 1.417 1.00 0.00 WT1 O ATOM 8195 H1 TIP3 1784 -5.190 9.906 -6.586 1.00 0.00 WT1 H ATOM 8196 H2 TIP3 1784 -1.529 0.297 5.442 1.00 0.00 WT1 H ATOM 8197 OH2 TIP3 1785 -7.012 -3.027 -3.958 1.00 0.00 WT1 O ATOM 8198 H1 TIP3 1785 4.033 1.352 8.413 1.00 0.00 WT1 H ATOM 8199 H2 TIP3 1785 -19.847 -8.944 -16.927 1.00 0.00 WT1 H ATOM 8200 OH2 TIP3 1786 -4.496 -2.084 -2.736 1.00 0.00 WT1 O ATOM 8201 H1 TIP3 1786 -9.846 13.864 -8.588 1.00 0.00 WT1 H ATOM 8202 H2 TIP3 1786 -10.297 -6.261 11.695 1.00 0.00 WT1 H ATOM 8203 OH2 TIP3 1787 -0.368 -3.432 -4.149 1.00 0.00 WT1 O ATOM 8204 H1 TIP3 1787 -6.696 -24.331 -12.967 1.00 0.00 WT1 H ATOM 8205 H2 TIP3 1787 -14.600 -1.209 -15.728 1.00 0.00 WT1 H ATOM 8206 OH2 TIP3 1788 -2.036 6.813 4.476 1.00 0.00 WT1 O ATOM 8207 H1 TIP3 1788 3.385 20.567 18.394 1.00 0.00 WT1 H ATOM 8208 H2 TIP3 1788 -2.517 -20.669 -11.250 1.00 0.00 WT1 H ATOM 8209 OH2 TIP3 1789 2.469 9.120 -1.833 1.00 0.00 WT1 O ATOM 8210 H1 TIP3 1789 13.299 21.275 12.111 1.00 0.00 WT1 H ATOM 8211 H2 TIP3 1789 -14.166 -0.377 -6.354 1.00 0.00 WT1 H ATOM 8212 OH2 TIP3 1790 6.412 -3.606 -5.321 1.00 0.00 WT1 O ATOM 8213 H1 TIP3 1790 9.676 -16.031 -10.815 1.00 0.00 WT1 H ATOM 8214 H2 TIP3 1790 -1.919 -6.104 -14.796 1.00 0.00 WT1 H ATOM 8215 OH2 TIP3 1791 5.745 -3.729 -0.529 1.00 0.00 WT1 O ATOM 8216 H1 TIP3 1791 -16.543 -4.014 -0.537 1.00 0.00 WT1 H ATOM 8217 H2 TIP3 1791 -18.552 -4.451 -0.603 1.00 0.00 WT1 H ATOM 8218 OH2 TIP3 1792 5.588 1.814 -2.399 1.00 0.00 WT1 O ATOM 8219 H1 TIP3 1792 11.416 -9.532 -2.679 1.00 0.00 WT1 H ATOM 8220 H2 TIP3 1792 12.258 4.127 18.759 1.00 0.00 WT1 H ATOM 8221 OH2 TIP3 1793 -0.537 -8.490 -1.891 1.00 0.00 WT1 O ATOM 8222 H1 TIP3 1793 3.756 -6.324 -1.850 1.00 0.00 WT1 H ATOM 8223 H2 TIP3 1793 0.864 -11.017 -0.169 1.00 0.00 WT1 H ATOM 8224 OH2 TIP3 1794 5.091 -2.071 0.464 1.00 0.00 WT1 O ATOM 8225 H1 TIP3 1794 -0.591 -3.064 15.080 1.00 0.00 WT1 H ATOM 8226 H2 TIP3 1794 5.781 18.693 -3.135 1.00 0.00 WT1 H ATOM 8227 OH2 TIP3 1795 8.658 -1.215 -2.142 1.00 0.00 WT1 O ATOM 8228 H1 TIP3 1795 -6.119 8.240 -1.973 1.00 0.00 WT1 H ATOM 8229 H2 TIP3 1795 -9.530 20.017 0.492 1.00 0.00 WT1 H ATOM 8230 OH2 TIP3 1796 4.258 -1.448 2.011 1.00 0.00 WT1 O ATOM 8231 H1 TIP3 1796 -1.079 -6.694 -4.555 1.00 0.00 WT1 H ATOM 8232 H2 TIP3 1796 0.285 0.424 6.150 1.00 0.00 WT1 H ATOM 8233 OH2 TIP3 1797 -3.643 -6.377 -1.499 1.00 0.00 WT1 O ATOM 8234 H1 TIP3 1797 12.851 0.237 8.590 1.00 0.00 WT1 H ATOM 8235 H2 TIP3 1797 19.953 9.191 6.818 1.00 0.00 WT1 H ATOM 8236 OH2 TIP3 1798 -3.655 0.200 3.736 1.00 0.00 WT1 O ATOM 8237 H1 TIP3 1798 2.985 4.932 11.209 1.00 0.00 WT1 H ATOM 8238 H2 TIP3 1798 -12.190 -6.658 -5.837 1.00 0.00 WT1 H ATOM 8239 OH2 TIP3 1799 2.900 4.276 -0.353 1.00 0.00 WT1 O ATOM 8240 H1 TIP3 1799 5.920 1.280 6.372 1.00 0.00 WT1 H ATOM 8241 H2 TIP3 1799 -0.025 5.429 -2.092 1.00 0.00 WT1 H ATOM 8242 OH2 TIP3 1800 1.313 5.781 0.945 1.00 0.00 WT1 O ATOM 8243 H1 TIP3 1800 -6.521 5.808 -4.799 1.00 0.00 WT1 H ATOM 8244 H2 TIP3 1800 -12.341 -7.731 2.395 1.00 0.00 WT1 H ATOM 8245 OH2 TIP3 1801 1.231 -5.779 -5.635 1.00 0.00 WT1 O ATOM 8246 H1 TIP3 1801 12.509 -12.148 -11.710 1.00 0.00 WT1 H ATOM 8247 H2 TIP3 1801 8.026 -11.785 -8.278 1.00 0.00 WT1 H ATOM 8248 OH2 TIP3 1802 -1.890 -0.019 0.821 1.00 0.00 WT1 O ATOM 8249 H1 TIP3 1802 9.478 -10.794 -2.912 1.00 0.00 WT1 H ATOM 8250 H2 TIP3 1802 -25.504 16.893 -0.961 1.00 0.00 WT1 H ATOM 8251 OH2 TIP3 1803 0.455 -5.087 -1.242 1.00 0.00 WT1 O ATOM 8252 H1 TIP3 1803 13.037 -0.453 -9.540 1.00 0.00 WT1 H ATOM 8253 H2 TIP3 1803 -7.318 -13.423 -17.978 1.00 0.00 WT1 H ATOM 8254 OH2 TIP3 1804 8.558 5.208 -4.941 1.00 0.00 WT1 O ATOM 8255 H1 TIP3 1804 10.018 2.067 10.579 1.00 0.00 WT1 H ATOM 8256 H2 TIP3 1804 -19.016 18.904 13.293 1.00 0.00 WT1 H ATOM 8257 OH2 TIP3 1805 8.826 -2.089 7.165 1.00 0.00 WT1 O ATOM 8258 H1 TIP3 1805 -21.887 3.895 15.365 1.00 0.00 WT1 H ATOM 8259 H2 TIP3 1805 13.320 -18.458 -19.235 1.00 0.00 WT1 H ATOM 8260 OH2 TIP3 1807 -2.772 -9.585 -8.445 1.00 0.00 WT1 O ATOM 8261 H1 TIP3 1807 -0.464 3.534 -4.307 1.00 0.00 WT1 H ATOM 8262 H2 TIP3 1807 -3.853 -6.381 -23.324 1.00 0.00 WT1 H ATOM 8263 OH2 TIP3 1808 3.919 1.351 -0.838 1.00 0.00 WT1 O ATOM 8264 H1 TIP3 1808 5.685 -14.968 -0.419 1.00 0.00 WT1 H ATOM 8265 H2 TIP3 1808 13.493 4.566 -8.445 1.00 0.00 WT1 H ATOM 8266 OH2 TIP3 1809 4.543 0.029 3.409 1.00 0.00 WT1 O ATOM 8267 H1 TIP3 1809 2.146 12.933 10.261 1.00 0.00 WT1 H ATOM 8268 H2 TIP3 1809 -11.947 -17.053 9.442 1.00 0.00 WT1 H ATOM 8269 OH2 TIP3 1810 6.808 -1.229 -2.646 1.00 0.00 WT1 O ATOM 8270 H1 TIP3 1810 2.759 -2.682 -13.520 1.00 0.00 WT1 H ATOM 8271 H2 TIP3 1810 44.138 -5.778 -7.526 1.00 0.00 WT1 H ATOM 8272 OH2 TIP3 1811 -2.006 -7.477 2.477 1.00 0.00 WT1 O ATOM 8273 H1 TIP3 1811 -1.542 -6.658 -3.090 1.00 0.00 WT1 H ATOM 8274 H2 TIP3 1811 1.273 -5.783 2.728 1.00 0.00 WT1 H ATOM 8275 OH2 TIP3 1812 -2.587 -0.473 -4.386 1.00 0.00 WT1 O ATOM 8276 H1 TIP3 1812 -14.830 4.125 16.797 1.00 0.00 WT1 H ATOM 8277 H2 TIP3 1812 8.841 -2.705 -10.777 1.00 0.00 WT1 H ATOM 8278 OH2 TIP3 1813 -0.769 0.340 -2.604 1.00 0.00 WT1 O ATOM 8279 H1 TIP3 1813 17.425 -29.098 -11.241 1.00 0.00 WT1 H ATOM 8280 H2 TIP3 1813 -10.580 13.017 2.122 1.00 0.00 WT1 H ATOM 8281 OH2 TIP3 1814 -4.157 -7.604 0.245 1.00 0.00 WT1 O ATOM 8282 H1 TIP3 1814 -2.493 10.433 2.476 1.00 0.00 WT1 H ATOM 8283 H2 TIP3 1814 3.789 11.033 -10.147 1.00 0.00 WT1 H ATOM 8284 OH2 TIP3 1815 0.694 -1.681 4.391 1.00 0.00 WT1 O ATOM 8285 H1 TIP3 1815 -14.588 5.596 42.317 1.00 0.00 WT1 H ATOM 8286 H2 TIP3 1815 -5.572 -5.160 20.790 1.00 0.00 WT1 H ATOM 8287 OH2 TIP3 1816 7.537 0.484 -2.564 1.00 0.00 WT1 O ATOM 8288 H1 TIP3 1816 4.753 5.635 -18.072 1.00 0.00 WT1 H ATOM 8289 H2 TIP3 1816 18.331 6.324 4.856 1.00 0.00 WT1 H ATOM 8290 OH2 TIP3 1817 -1.560 -6.057 1.682 1.00 0.00 WT1 O ATOM 8291 H1 TIP3 1817 -10.083 12.707 8.166 1.00 0.00 WT1 H ATOM 8292 H2 TIP3 1817 -6.102 -22.412 1.305 1.00 0.00 WT1 H ATOM 8293 OH2 TIP3 1818 2.542 -2.690 -2.429 1.00 0.00 WT1 O ATOM 8294 H1 TIP3 1818 -3.324 1.880 -20.832 1.00 0.00 WT1 H ATOM 8295 H2 TIP3 1818 -3.439 -11.517 21.493 1.00 0.00 WT1 H ATOM 8296 OH2 TIP3 1819 -2.705 -0.279 -5.167 1.00 0.00 WT1 O ATOM 8297 H1 TIP3 1819 13.715 5.776 -15.671 1.00 0.00 WT1 H ATOM 8298 H2 TIP3 1819 4.025 11.238 -17.959 1.00 0.00 WT1 H ATOM 8299 OH2 TIP3 1820 -1.995 0.752 -0.143 1.00 0.00 WT1 O ATOM 8300 H1 TIP3 1820 15.221 11.791 9.148 1.00 0.00 WT1 H ATOM 8301 H2 TIP3 1820 -23.203 2.219 -0.047 1.00 0.00 WT1 H ATOM 8302 OH2 TIP3 1821 8.524 7.848 3.190 1.00 0.00 WT1 O ATOM 8303 H1 TIP3 1821 3.438 -5.159 10.016 1.00 0.00 WT1 H ATOM 8304 H2 TIP3 1821 6.377 10.516 11.645 1.00 0.00 WT1 H ATOM 8305 OH2 TIP3 1823 -7.178 -1.418 2.005 1.00 0.00 WT1 O ATOM 8306 H1 TIP3 1823 -6.430 -3.898 -2.616 1.00 0.00 WT1 H ATOM 8307 H2 TIP3 1823 2.616 9.769 -7.879 1.00 0.00 WT1 H ATOM 8308 OH2 TIP3 1824 1.777 -1.116 2.574 1.00 0.00 WT1 O ATOM 8309 H1 TIP3 1824 0.926 15.320 -8.672 1.00 0.00 WT1 H ATOM 8310 H2 TIP3 1824 2.072 -7.303 6.650 1.00 0.00 WT1 H ATOM 8311 OH2 TIP3 1825 -6.170 1.040 0.203 1.00 0.00 WT1 O ATOM 8312 H1 TIP3 1825 -7.468 3.422 -1.590 1.00 0.00 WT1 H ATOM 8313 H2 TIP3 1825 -18.187 3.692 -10.519 1.00 0.00 WT1 H ATOM 8314 OH2 TIP3 1826 -1.949 -4.652 6.368 1.00 0.00 WT1 O ATOM 8315 H1 TIP3 1826 9.252 -34.378 6.142 1.00 0.00 WT1 H ATOM 8316 H2 TIP3 1826 -4.826 2.029 6.388 1.00 0.00 WT1 H ATOM 8317 OH2 TIP3 1827 2.694 -3.486 -3.044 1.00 0.00 WT1 O ATOM 8318 H1 TIP3 1827 -16.912 14.181 -12.536 1.00 0.00 WT1 H ATOM 8319 H2 TIP3 1827 6.060 -10.729 -4.594 1.00 0.00 WT1 H ATOM 8320 OH2 TIP3 1828 1.554 3.755 3.486 1.00 0.00 WT1 O ATOM 8321 H1 TIP3 1828 1.053 -17.906 -5.471 1.00 0.00 WT1 H ATOM 8322 H2 TIP3 1828 5.524 -0.030 -5.479 1.00 0.00 WT1 H ATOM 8323 OH2 TIP3 1829 1.336 -1.747 -3.008 1.00 0.00 WT1 O ATOM 8324 H1 TIP3 1829 -2.476 5.461 3.856 1.00 0.00 WT1 H ATOM 8325 H2 TIP3 1829 32.316 6.844 -5.966 1.00 0.00 WT1 H ATOM 8326 OH2 TIP3 1830 -0.472 3.639 4.569 1.00 0.00 WT1 O ATOM 8327 H1 TIP3 1830 -2.466 8.847 6.265 1.00 0.00 WT1 H ATOM 8328 H2 TIP3 1830 -1.325 -2.955 3.562 1.00 0.00 WT1 H ATOM 8329 OH2 TIP3 1831 3.558 -2.918 1.904 1.00 0.00 WT1 O ATOM 8330 H1 TIP3 1831 18.845 -7.526 -17.266 1.00 0.00 WT1 H ATOM 8331 H2 TIP3 1831 -1.620 -9.204 -6.248 1.00 0.00 WT1 H ATOM 8332 OH2 TIP3 1832 3.507 -1.265 0.692 1.00 0.00 WT1 O ATOM 8333 H1 TIP3 1832 -0.071 7.797 -3.667 1.00 0.00 WT1 H ATOM 8334 H2 TIP3 1832 -0.167 -11.211 -5.220 1.00 0.00 WT1 H ATOM 8335 OH2 TIP3 1833 -0.217 -3.776 -6.046 1.00 0.00 WT1 O ATOM 8336 H1 TIP3 1833 2.484 14.263 -4.725 1.00 0.00 WT1 H ATOM 8337 H2 TIP3 1833 23.926 4.759 -0.532 1.00 0.00 WT1 H ATOM 8338 OH2 TIP3 1834 -3.258 4.728 -4.661 1.00 0.00 WT1 O ATOM 8339 H1 TIP3 1834 -5.015 -6.567 -6.523 1.00 0.00 WT1 H ATOM 8340 H2 TIP3 1834 15.209 4.254 -14.431 1.00 0.00 WT1 H ATOM 8341 OH2 TIP3 1835 0.012 -4.082 -1.248 1.00 0.00 WT1 O ATOM 8342 H1 TIP3 1835 8.702 -19.978 -11.102 1.00 0.00 WT1 H ATOM 8343 H2 TIP3 1835 10.696 11.346 -13.791 1.00 0.00 WT1 H ATOM 8344 OH2 TIP3 1836 -3.048 4.685 -2.134 1.00 0.00 WT1 O ATOM 8345 H1 TIP3 1836 -7.286 2.484 -11.018 1.00 0.00 WT1 H ATOM 8346 H2 TIP3 1836 -8.251 -3.653 -1.290 1.00 0.00 WT1 H ATOM 8347 OH2 TIP3 1837 -1.313 -4.927 3.706 1.00 0.00 WT1 O ATOM 8348 H1 TIP3 1837 1.219 -1.177 8.708 1.00 0.00 WT1 H ATOM 8349 H2 TIP3 1837 -8.199 -12.065 -2.150 1.00 0.00 WT1 H ATOM 8350 OH2 TIP3 1838 -1.751 -2.205 5.759 1.00 0.00 WT1 O ATOM 8351 H1 TIP3 1838 0.663 -7.544 10.467 1.00 0.00 WT1 H ATOM 8352 H2 TIP3 1838 5.390 -16.609 17.034 1.00 0.00 WT1 H ATOM 8353 OH2 TIP3 1839 -2.679 2.189 -6.387 1.00 0.00 WT1 O ATOM 8354 H1 TIP3 1839 4.261 -3.789 -11.937 1.00 0.00 WT1 H ATOM 8355 H2 TIP3 1839 0.355 2.335 4.385 1.00 0.00 WT1 H ATOM 8356 OH2 TIP3 1841 -3.083 -0.542 -0.528 1.00 0.00 WT1 O ATOM 8357 H1 TIP3 1841 6.448 24.254 3.693 1.00 0.00 WT1 H ATOM 8358 H2 TIP3 1841 21.221 -10.463 -22.997 1.00 0.00 WT1 H ATOM 8359 OH2 TIP3 1842 1.554 0.692 -0.304 1.00 0.00 WT1 O ATOM 8360 H1 TIP3 1842 -0.514 0.635 8.601 1.00 0.00 WT1 H ATOM 8361 H2 TIP3 1842 -6.497 1.701 -4.077 1.00 0.00 WT1 H ATOM 8362 OH2 TIP3 1843 3.772 -2.470 -2.259 1.00 0.00 WT1 O ATOM 8363 H1 TIP3 1843 6.973 -2.870 11.401 1.00 0.00 WT1 H ATOM 8364 H2 TIP3 1843 4.492 -11.415 1.520 1.00 0.00 WT1 H ATOM 8365 OH2 TIP3 1844 5.550 8.265 -4.018 1.00 0.00 WT1 O ATOM 8366 H1 TIP3 1844 -15.157 13.742 13.656 1.00 0.00 WT1 H ATOM 8367 H2 TIP3 1844 -0.121 -16.658 -7.898 1.00 0.00 WT1 H ATOM 8368 OH2 TIP3 1845 -2.962 -0.755 6.352 1.00 0.00 WT1 O ATOM 8369 H1 TIP3 1845 9.350 -1.872 -17.236 1.00 0.00 WT1 H ATOM 8370 H2 TIP3 1845 2.037 20.096 -6.381 1.00 0.00 WT1 H ATOM 8371 OH2 TIP3 1846 2.502 3.123 0.114 1.00 0.00 WT1 O ATOM 8372 H1 TIP3 1846 3.884 -23.158 4.428 1.00 0.00 WT1 H ATOM 8373 H2 TIP3 1846 -2.490 -29.255 -6.368 1.00 0.00 WT1 H ATOM 8374 OH2 TIP3 1847 3.830 -6.957 -3.174 1.00 0.00 WT1 O ATOM 8375 H1 TIP3 1847 6.958 -10.002 -8.333 1.00 0.00 WT1 H ATOM 8376 H2 TIP3 1847 -0.874 -2.971 0.564 1.00 0.00 WT1 H ATOM 8377 OH2 TIP3 1848 -3.591 1.928 2.076 1.00 0.00 WT1 O ATOM 8378 H1 TIP3 1848 13.926 8.180 13.937 1.00 0.00 WT1 H ATOM 8379 H2 TIP3 1848 -21.976 -1.135 -9.835 1.00 0.00 WT1 H ATOM 8380 OH2 TIP3 1850 0.385 0.737 -7.099 1.00 0.00 WT1 O ATOM 8381 H1 TIP3 1850 10.802 5.653 -3.568 1.00 0.00 WT1 H ATOM 8382 H2 TIP3 1850 -6.376 -2.927 -10.070 1.00 0.00 WT1 H ATOM 8383 OH2 TIP3 1851 1.396 -0.744 4.381 1.00 0.00 WT1 O ATOM 8384 H1 TIP3 1851 -2.437 2.585 19.967 1.00 0.00 WT1 H ATOM 8385 H2 TIP3 1851 -7.330 1.872 -5.513 1.00 0.00 WT1 H ATOM 8386 OH2 TIP3 1852 4.045 1.413 1.919 1.00 0.00 WT1 O ATOM 8387 H1 TIP3 1852 1.146 -24.578 20.189 1.00 0.00 WT1 H ATOM 8388 H2 TIP3 1852 -19.703 -3.083 -20.050 1.00 0.00 WT1 H ATOM 8389 OH2 TIP3 1853 0.657 -4.671 4.290 1.00 0.00 WT1 O ATOM 8390 H1 TIP3 1853 -1.966 -18.685 0.628 1.00 0.00 WT1 H ATOM 8391 H2 TIP3 1853 6.916 0.590 -9.002 1.00 0.00 WT1 H ATOM 8392 OH2 TIP3 1854 -9.939 5.954 -1.656 1.00 0.00 WT1 O ATOM 8393 H1 TIP3 1854 -19.944 -1.685 -5.196 1.00 0.00 WT1 H ATOM 8394 H2 TIP3 1854 30.589 12.825 -3.786 1.00 0.00 WT1 H ATOM 8395 OH2 TIP3 1855 -0.648 5.311 -1.499 1.00 0.00 WT1 O ATOM 8396 H1 TIP3 1855 -9.028 3.742 13.722 1.00 0.00 WT1 H ATOM 8397 H2 TIP3 1855 -10.475 7.885 13.482 1.00 0.00 WT1 H ATOM 8398 OH2 TIP3 1856 0.789 6.619 -6.960 1.00 0.00 WT1 O ATOM 8399 H1 TIP3 1856 5.697 17.971 -0.103 1.00 0.00 WT1 H ATOM 8400 H2 TIP3 1856 12.286 21.865 3.707 1.00 0.00 WT1 H ATOM 8401 OH2 TIP3 1858 -0.956 2.893 2.573 1.00 0.00 WT1 O ATOM 8402 H1 TIP3 1858 2.282 -3.090 -9.737 1.00 0.00 WT1 H ATOM 8403 H2 TIP3 1858 -0.351 7.768 11.723 1.00 0.00 WT1 H ATOM 8404 OH2 TIP3 1859 3.053 -1.121 -3.280 1.00 0.00 WT1 O ATOM 8405 H1 TIP3 1859 2.617 -3.421 0.749 1.00 0.00 WT1 H ATOM 8406 H2 TIP3 1859 -4.519 0.701 -0.142 1.00 0.00 WT1 H ATOM 8407 OH2 TIP3 1860 1.325 5.083 0.588 1.00 0.00 WT1 O ATOM 8408 H1 TIP3 1860 2.031 4.966 0.613 1.00 0.00 WT1 H ATOM 8409 H2 TIP3 1860 -13.177 9.636 6.197 1.00 0.00 WT1 H ATOM 8410 OH2 TIP3 1861 -2.748 -0.650 2.005 1.00 0.00 WT1 O ATOM 8411 H1 TIP3 1861 9.528 4.468 -0.761 1.00 0.00 WT1 H ATOM 8412 H2 TIP3 1861 17.029 -3.431 -6.007 1.00 0.00 WT1 H ATOM 8413 OH2 TIP3 1862 0.776 1.804 3.314 1.00 0.00 WT1 O ATOM 8414 H1 TIP3 1862 -5.649 -5.915 11.667 1.00 0.00 WT1 H ATOM 8415 H2 TIP3 1862 -13.645 11.011 -9.457 1.00 0.00 WT1 H ATOM 8416 OH2 TIP3 1863 -0.161 -2.372 -1.032 1.00 0.00 WT1 O ATOM 8417 H1 TIP3 1863 9.274 -9.822 3.583 1.00 0.00 WT1 H ATOM 8418 H2 TIP3 1863 -2.698 -1.757 -2.985 1.00 0.00 WT1 H ATOM 8419 OH2 TIP3 1864 -4.058 1.107 -7.063 1.00 0.00 WT1 O ATOM 8420 H1 TIP3 1864 -1.754 -4.311 1.077 1.00 0.00 WT1 H ATOM 8421 H2 TIP3 1864 4.206 -12.667 -14.561 1.00 0.00 WT1 H ATOM 8422 OH2 TIP3 1866 1.570 0.584 -0.349 1.00 0.00 WT1 O ATOM 8423 H1 TIP3 1866 -2.777 -2.629 3.175 1.00 0.00 WT1 H ATOM 8424 H2 TIP3 1866 -1.331 3.607 -1.403 1.00 0.00 WT1 H ATOM 8425 OH2 TIP3 1867 -0.622 2.228 1.281 1.00 0.00 WT1 O ATOM 8426 H1 TIP3 1867 -6.450 7.880 2.559 1.00 0.00 WT1 H ATOM 8427 H2 TIP3 1867 5.096 5.119 -0.276 1.00 0.00 WT1 H ATOM 8428 OH2 TIP3 1868 -1.373 5.087 -8.500 1.00 0.00 WT1 O ATOM 8429 H1 TIP3 1868 -7.708 14.648 -16.320 1.00 0.00 WT1 H ATOM 8430 H2 TIP3 1868 -5.904 7.107 -16.059 1.00 0.00 WT1 H ATOM 8431 OH2 TIP3 1869 -1.908 -5.874 2.105 1.00 0.00 WT1 O ATOM 8432 H1 TIP3 1869 1.597 -15.503 -12.930 1.00 0.00 WT1 H ATOM 8433 H2 TIP3 1869 -4.110 0.624 13.215 1.00 0.00 WT1 H ATOM 8434 OH2 TIP3 1870 2.359 0.287 0.480 1.00 0.00 WT1 O ATOM 8435 H1 TIP3 1870 1.047 4.055 -1.697 1.00 0.00 WT1 H ATOM 8436 H2 TIP3 1870 0.866 1.428 -0.517 1.00 0.00 WT1 H ATOM 8437 OH2 TIP3 1871 -0.906 0.069 2.959 1.00 0.00 WT1 O ATOM 8438 H1 TIP3 1871 -11.034 -3.041 -42.826 1.00 0.00 WT1 H ATOM 8439 H2 TIP3 1871 -5.247 -1.792 -20.314 1.00 0.00 WT1 H ATOM 8440 OH2 TIP3 1872 -4.173 2.486 -3.750 1.00 0.00 WT1 O ATOM 8441 H1 TIP3 1872 -5.201 2.585 -12.107 1.00 0.00 WT1 H ATOM 8442 H2 TIP3 1872 -24.503 -2.920 -18.024 1.00 0.00 WT1 H ATOM 8443 OH2 TIP3 1873 7.738 -4.701 1.701 1.00 0.00 WT1 O ATOM 8444 H1 TIP3 1873 6.903 2.519 -21.061 1.00 0.00 WT1 H ATOM 8445 H2 TIP3 1873 -14.370 -10.204 4.640 1.00 0.00 WT1 H ATOM 8446 OH2 TIP3 1874 4.245 -0.578 4.384 1.00 0.00 WT1 O ATOM 8447 H1 TIP3 1874 19.082 -6.100 7.958 1.00 0.00 WT1 H ATOM 8448 H2 TIP3 1874 1.396 -9.921 -4.262 1.00 0.00 WT1 H ATOM 8449 OH2 TIP3 1875 -1.530 1.949 -1.147 1.00 0.00 WT1 O ATOM 8450 H1 TIP3 1875 -0.378 8.591 -13.740 1.00 0.00 WT1 H ATOM 8451 H2 TIP3 1875 -3.698 -10.453 4.791 1.00 0.00 WT1 H ATOM 8452 OH2 TIP3 1876 1.065 2.465 -0.073 1.00 0.00 WT1 O ATOM 8453 H1 TIP3 1876 0.306 -6.454 0.090 1.00 0.00 WT1 H ATOM 8454 H2 TIP3 1876 4.499 4.819 19.587 1.00 0.00 WT1 H ATOM 8455 OH2 TIP3 1877 1.577 2.847 0.356 1.00 0.00 WT1 O ATOM 8456 H1 TIP3 1877 18.170 6.489 -8.292 1.00 0.00 WT1 H ATOM 8457 H2 TIP3 1877 -5.227 -15.809 -3.870 1.00 0.00 WT1 H ATOM 8458 OH2 TIP3 1878 1.832 -3.233 -2.238 1.00 0.00 WT1 O ATOM 8459 H1 TIP3 1878 8.958 -5.882 0.992 1.00 0.00 WT1 H ATOM 8460 H2 TIP3 1878 13.030 -4.943 -4.415 1.00 0.00 WT1 H ATOM 8461 OH2 TIP3 1879 -1.127 1.727 -3.880 1.00 0.00 WT1 O ATOM 8462 H1 TIP3 1879 5.465 19.721 -0.263 1.00 0.00 WT1 H ATOM 8463 H2 TIP3 1879 -6.953 -0.737 -26.523 1.00 0.00 WT1 H ATOM 8464 OH2 TIP3 1880 -0.721 -6.666 -0.536 1.00 0.00 WT1 O ATOM 8465 H1 TIP3 1880 -3.974 -0.664 -0.462 1.00 0.00 WT1 H ATOM 8466 H2 TIP3 1880 2.764 -4.215 -3.010 1.00 0.00 WT1 H ATOM 8467 OH2 TIP3 1881 -1.952 2.685 -10.616 1.00 0.00 WT1 O ATOM 8468 H1 TIP3 1881 2.598 7.991 -10.927 1.00 0.00 WT1 H ATOM 8469 H2 TIP3 1881 -7.617 1.549 -11.370 1.00 0.00 WT1 H ATOM 8470 OH2 TIP3 1882 -1.465 2.967 -0.588 1.00 0.00 WT1 O ATOM 8471 H1 TIP3 1882 9.640 22.687 3.418 1.00 0.00 WT1 H ATOM 8472 H2 TIP3 1882 19.033 0.595 -10.005 1.00 0.00 WT1 H ATOM 8473 OH2 TIP3 1883 2.770 1.080 0.785 1.00 0.00 WT1 O ATOM 8474 H1 TIP3 1883 0.766 2.061 -24.538 1.00 0.00 WT1 H ATOM 8475 H2 TIP3 1883 -12.165 -18.304 8.537 1.00 0.00 WT1 H ATOM 8476 OH2 TIP3 1884 -7.852 3.586 3.930 1.00 0.00 WT1 O ATOM 8477 H1 TIP3 1884 -12.419 14.058 -17.138 1.00 0.00 WT1 H ATOM 8478 H2 TIP3 1884 5.578 -12.484 1.616 1.00 0.00 WT1 H ATOM 8479 OH2 TIP3 1885 -1.280 -7.228 6.100 1.00 0.00 WT1 O ATOM 8480 H1 TIP3 1885 -4.323 3.851 -1.108 1.00 0.00 WT1 H ATOM 8481 H2 TIP3 1885 -2.619 8.037 8.138 1.00 0.00 WT1 H ATOM 8482 OH2 TIP3 1886 -0.052 1.884 3.864 1.00 0.00 WT1 O ATOM 8483 H1 TIP3 1886 -1.746 2.048 4.207 1.00 0.00 WT1 H ATOM 8484 H2 TIP3 1886 -14.875 16.762 -5.444 1.00 0.00 WT1 H ATOM 8485 OH2 TIP3 1887 4.143 -3.690 -2.225 1.00 0.00 WT1 O ATOM 8486 H1 TIP3 1887 0.987 5.312 -6.826 1.00 0.00 WT1 H ATOM 8487 H2 TIP3 1887 -12.279 -1.265 -5.725 1.00 0.00 WT1 H ATOM 8488 OH2 TIP3 1888 0.581 -3.156 2.203 1.00 0.00 WT1 O ATOM 8489 H1 TIP3 1888 1.849 5.566 7.528 1.00 0.00 WT1 H ATOM 8490 H2 TIP3 1888 -4.549 -8.189 9.956 1.00 0.00 WT1 H ATOM 8491 OH2 TIP3 1889 4.115 -0.541 -1.224 1.00 0.00 WT1 O ATOM 8492 H1 TIP3 1889 -0.180 -8.142 7.041 1.00 0.00 WT1 H ATOM 8493 H2 TIP3 1889 10.363 11.061 -8.204 1.00 0.00 WT1 H ATOM 8494 OH2 TIP3 1890 -4.210 3.133 5.258 1.00 0.00 WT1 O ATOM 8495 H1 TIP3 1890 -4.906 -12.799 10.008 1.00 0.00 WT1 H ATOM 8496 H2 TIP3 1890 -8.481 5.399 -11.261 1.00 0.00 WT1 H ATOM 8497 OH2 TIP3 1891 -7.013 7.889 0.579 1.00 0.00 WT1 O ATOM 8498 H1 TIP3 1891 -8.240 7.470 2.199 1.00 0.00 WT1 H ATOM 8499 H2 TIP3 1891 -26.806 7.010 -14.193 1.00 0.00 WT1 H ATOM 8500 OH2 TIP3 1892 0.548 -5.500 1.406 1.00 0.00 WT1 O ATOM 8501 H1 TIP3 1892 -2.001 -3.543 -8.290 1.00 0.00 WT1 H ATOM 8502 H2 TIP3 1892 7.751 8.556 -5.553 1.00 0.00 WT1 H ATOM 8503 OH2 TIP3 1893 -1.048 -1.448 -2.722 1.00 0.00 WT1 O ATOM 8504 H1 TIP3 1893 -15.536 2.471 2.950 1.00 0.00 WT1 H ATOM 8505 H2 TIP3 1893 8.169 -4.363 -5.453 1.00 0.00 WT1 H ATOM 8506 OH2 TIP3 1894 1.869 2.616 2.924 1.00 0.00 WT1 O ATOM 8507 H1 TIP3 1894 0.624 11.614 -9.083 1.00 0.00 WT1 H ATOM 8508 H2 TIP3 1894 16.712 3.868 7.518 1.00 0.00 WT1 H ATOM 8509 OH2 TIP3 1895 -1.321 -5.717 -3.960 1.00 0.00 WT1 O ATOM 8510 H1 TIP3 1895 -17.727 1.521 -1.063 1.00 0.00 WT1 H ATOM 8511 H2 TIP3 1895 -29.995 18.577 0.453 1.00 0.00 WT1 H ATOM 8512 OH2 TIP3 1896 -0.589 0.278 -0.075 1.00 0.00 WT1 O ATOM 8513 H1 TIP3 1896 2.264 6.372 -5.106 1.00 0.00 WT1 H ATOM 8514 H2 TIP3 1896 -11.926 1.829 -0.327 1.00 0.00 WT1 H ATOM 8515 OH2 TIP3 1897 -4.423 7.799 7.169 1.00 0.00 WT1 O ATOM 8516 H1 TIP3 1897 -18.973 20.014 -2.905 1.00 0.00 WT1 H ATOM 8517 H2 TIP3 1897 15.572 0.515 15.269 1.00 0.00 WT1 H ATOM 8518 OH2 TIP3 1898 -3.801 0.310 -4.528 1.00 0.00 WT1 O ATOM 8519 H1 TIP3 1898 -2.639 -2.413 -0.050 1.00 0.00 WT1 H ATOM 8520 H2 TIP3 1898 -6.153 8.094 -13.841 1.00 0.00 WT1 H ATOM 8521 OH2 TIP3 1899 -8.001 -1.233 -0.763 1.00 0.00 WT1 O ATOM 8522 H1 TIP3 1899 13.990 5.574 -8.086 1.00 0.00 WT1 H ATOM 8523 H2 TIP3 1899 -19.479 -23.058 -4.648 1.00 0.00 WT1 H ATOM 8524 OH2 TIP3 1900 4.017 0.885 1.151 1.00 0.00 WT1 O ATOM 8525 H1 TIP3 1900 -29.833 18.359 4.505 1.00 0.00 WT1 H ATOM 8526 H2 TIP3 1900 15.575 -11.275 3.624 1.00 0.00 WT1 H ATOM 8527 OH2 TIP3 1901 -4.746 3.066 1.850 1.00 0.00 WT1 O ATOM 8528 H1 TIP3 1901 -20.867 -12.044 -9.063 1.00 0.00 WT1 H ATOM 8529 H2 TIP3 1901 10.847 -15.033 12.114 1.00 0.00 WT1 H ATOM 8530 OH2 TIP3 1902 -0.564 0.371 -0.102 1.00 0.00 WT1 O ATOM 8531 H1 TIP3 1902 0.621 -11.972 18.548 1.00 0.00 WT1 H ATOM 8532 H2 TIP3 1902 0.322 9.977 -8.176 1.00 0.00 WT1 H ATOM 8533 OH2 TIP3 1903 3.816 -0.854 -8.773 1.00 0.00 WT1 O ATOM 8534 H1 TIP3 1903 -2.383 -2.777 -13.015 1.00 0.00 WT1 H ATOM 8535 H2 TIP3 1903 0.183 -0.730 -9.113 1.00 0.00 WT1 H ATOM 8536 OH2 TIP3 1904 1.112 -2.272 2.867 1.00 0.00 WT1 O ATOM 8537 H1 TIP3 1904 8.689 -5.226 15.505 1.00 0.00 WT1 H ATOM 8538 H2 TIP3 1904 -18.357 15.937 -6.251 1.00 0.00 WT1 H ATOM 8539 OH2 TIP3 1905 0.249 -2.515 -6.523 1.00 0.00 WT1 O ATOM 8540 H1 TIP3 1905 -2.693 7.021 -6.363 1.00 0.00 WT1 H ATOM 8541 H2 TIP3 1905 0.876 -4.414 -17.462 1.00 0.00 WT1 H ATOM 8542 OH2 TIP3 1906 4.702 -2.907 -6.001 1.00 0.00 WT1 O ATOM 8543 H1 TIP3 1906 4.603 -17.316 -0.967 1.00 0.00 WT1 H ATOM 8544 H2 TIP3 1906 5.914 5.331 -5.538 1.00 0.00 WT1 H ATOM 8545 OH2 TIP3 1907 2.866 2.075 -5.633 1.00 0.00 WT1 O ATOM 8546 H1 TIP3 1907 4.434 1.971 -47.726 1.00 0.00 WT1 H ATOM 8547 H2 TIP3 1907 10.425 1.900 -17.716 1.00 0.00 WT1 H ATOM 8548 OH2 TIP3 1908 3.729 -1.227 4.107 1.00 0.00 WT1 O ATOM 8549 H1 TIP3 1908 5.626 -3.974 -4.015 1.00 0.00 WT1 H ATOM 8550 H2 TIP3 1908 24.997 18.987 -2.172 1.00 0.00 WT1 H ATOM 8551 OH2 TIP3 1909 -8.569 4.201 4.047 1.00 0.00 WT1 O ATOM 8552 H1 TIP3 1909 -10.033 9.097 6.053 1.00 0.00 WT1 H ATOM 8553 H2 TIP3 1909 -8.775 -10.201 1.324 1.00 0.00 WT1 H ATOM 8554 OH2 TIP3 1910 1.372 -5.277 7.083 1.00 0.00 WT1 O ATOM 8555 H1 TIP3 1910 -2.406 -3.452 8.127 1.00 0.00 WT1 H ATOM 8556 H2 TIP3 1910 -1.462 -7.626 7.154 1.00 0.00 WT1 H ATOM 8557 OH2 TIP3 1911 -4.209 -0.445 2.977 1.00 0.00 WT1 O ATOM 8558 H1 TIP3 1911 -1.365 -5.199 -5.247 1.00 0.00 WT1 H ATOM 8559 H2 TIP3 1911 -10.791 -4.118 0.543 1.00 0.00 WT1 H ATOM 8560 OH2 TIP3 1912 -8.010 1.714 3.848 1.00 0.00 WT1 O ATOM 8561 H1 TIP3 1912 10.731 5.432 -20.628 1.00 0.00 WT1 H ATOM 8562 H2 TIP3 1912 -11.687 -1.978 14.050 1.00 0.00 WT1 H ATOM 8563 OH2 TIP3 1913 -6.391 2.497 -5.509 1.00 0.00 WT1 O ATOM 8564 H1 TIP3 1913 8.324 6.567 -24.131 1.00 0.00 WT1 H ATOM 8565 H2 TIP3 1913 1.932 -8.983 13.802 1.00 0.00 WT1 H ATOM 8566 OH2 TIP3 1914 2.747 -0.462 3.669 1.00 0.00 WT1 O ATOM 8567 H1 TIP3 1914 6.979 2.535 -4.345 1.00 0.00 WT1 H ATOM 8568 H2 TIP3 1914 9.367 -6.653 -17.448 1.00 0.00 WT1 H ATOM 8569 OH2 TIP3 1915 -3.905 1.006 4.565 1.00 0.00 WT1 O ATOM 8570 H1 TIP3 1915 3.799 -0.737 -2.816 1.00 0.00 WT1 H ATOM 8571 H2 TIP3 1915 -6.236 5.013 2.140 1.00 0.00 WT1 H ATOM 8572 OH2 TIP3 1916 2.162 0.480 3.659 1.00 0.00 WT1 O ATOM 8573 H1 TIP3 1916 12.613 22.741 20.449 1.00 0.00 WT1 H ATOM 8574 H2 TIP3 1916 -21.929 13.169 -3.301 1.00 0.00 WT1 H ATOM 8575 OH2 TIP3 1917 2.806 2.241 -0.312 1.00 0.00 WT1 O ATOM 8576 H1 TIP3 1917 -12.698 -11.566 1.852 1.00 0.00 WT1 H ATOM 8577 H2 TIP3 1917 -5.893 -1.747 -5.396 1.00 0.00 WT1 H ATOM 8578 OH2 TIP3 1918 -0.154 5.356 -0.962 1.00 0.00 WT1 O ATOM 8579 H1 TIP3 1918 -11.489 14.927 -18.741 1.00 0.00 WT1 H ATOM 8580 H2 TIP3 1918 -5.105 -18.743 2.356 1.00 0.00 WT1 H ATOM 8581 OH2 TIP3 1919 -2.850 -3.005 -3.311 1.00 0.00 WT1 O ATOM 8582 H1 TIP3 1919 -3.848 -5.701 5.563 1.00 0.00 WT1 H ATOM 8583 H2 TIP3 1919 -4.184 2.082 -7.916 1.00 0.00 WT1 H ATOM 8584 OH2 TIP3 1920 -4.439 0.679 -0.434 1.00 0.00 WT1 O ATOM 8585 H1 TIP3 1920 3.659 -5.848 20.022 1.00 0.00 WT1 H ATOM 8586 H2 TIP3 1920 -14.223 0.673 -1.980 1.00 0.00 WT1 H ATOM 8587 OH2 TIP3 1921 6.061 -5.236 -2.028 1.00 0.00 WT1 O ATOM 8588 H1 TIP3 1921 7.160 -16.256 11.461 1.00 0.00 WT1 H ATOM 8589 H2 TIP3 1921 6.788 9.541 4.525 1.00 0.00 WT1 H ATOM 8590 OH2 TIP3 1922 -6.088 4.590 -5.462 1.00 0.00 WT1 O ATOM 8591 H1 TIP3 1922 2.381 18.975 -1.774 1.00 0.00 WT1 H ATOM 8592 H2 TIP3 1922 2.854 -1.723 6.651 1.00 0.00 WT1 H ATOM 8593 OH2 TIP3 1923 2.645 3.076 5.185 1.00 0.00 WT1 O ATOM 8594 H1 TIP3 1923 5.897 10.046 3.587 1.00 0.00 WT1 H ATOM 8595 H2 TIP3 1923 -3.254 -0.716 2.724 1.00 0.00 WT1 H ATOM 8596 OH2 TIP3 1924 -2.716 7.060 2.418 1.00 0.00 WT1 O ATOM 8597 H1 TIP3 1924 -5.332 -0.244 1.675 1.00 0.00 WT1 H ATOM 8598 H2 TIP3 1924 3.166 11.274 1.383 1.00 0.00 WT1 H ATOM 8599 OH2 TIP3 1925 -1.311 -5.777 -1.195 1.00 0.00 WT1 O ATOM 8600 H1 TIP3 1925 -4.695 -14.650 -23.827 1.00 0.00 WT1 H ATOM 8601 H2 TIP3 1925 -11.076 -3.739 -4.591 1.00 0.00 WT1 H ATOM 8602 OH2 TIP3 1926 6.212 2.608 -3.930 1.00 0.00 WT1 O ATOM 8603 H1 TIP3 1926 21.432 15.842 -1.729 1.00 0.00 WT1 H ATOM 8604 H2 TIP3 1926 27.055 -24.760 -14.502 1.00 0.00 WT1 H ATOM 8605 OH2 TIP3 1927 -3.025 0.144 -4.476 1.00 0.00 WT1 O ATOM 8606 H1 TIP3 1927 -28.289 2.653 -4.079 1.00 0.00 WT1 H ATOM 8607 H2 TIP3 1927 4.087 -4.298 -9.673 1.00 0.00 WT1 H ATOM 8608 OH2 TIP3 1928 3.409 -0.697 3.618 1.00 0.00 WT1 O ATOM 8609 H1 TIP3 1928 2.326 -2.754 2.929 1.00 0.00 WT1 H ATOM 8610 H2 TIP3 1928 7.558 3.034 11.012 1.00 0.00 WT1 H ATOM 8611 OH2 TIP3 1929 3.289 1.462 -0.669 1.00 0.00 WT1 O ATOM 8612 H1 TIP3 1929 7.998 1.048 4.141 1.00 0.00 WT1 H ATOM 8613 H2 TIP3 1929 -20.245 -2.908 -13.065 1.00 0.00 WT1 H ATOM 8614 OH2 TIP3 1930 -3.367 4.036 -7.221 1.00 0.00 WT1 O ATOM 8615 H1 TIP3 1930 4.365 12.917 -3.030 1.00 0.00 WT1 H ATOM 8616 H2 TIP3 1930 -3.957 -6.736 3.977 1.00 0.00 WT1 H ATOM 8617 OH2 TIP3 1931 -1.815 4.038 2.008 1.00 0.00 WT1 O ATOM 8618 H1 TIP3 1931 -9.246 -6.315 -7.874 1.00 0.00 WT1 H ATOM 8619 H2 TIP3 1931 8.917 -3.851 12.201 1.00 0.00 WT1 H ATOM 8620 OH2 TIP3 1932 2.142 -4.536 -1.386 1.00 0.00 WT1 O ATOM 8621 H1 TIP3 1932 11.529 -9.147 -25.009 1.00 0.00 WT1 H ATOM 8622 H2 TIP3 1932 -11.733 -7.676 -0.371 1.00 0.00 WT1 H ATOM 8623 OH2 TIP3 1934 -2.434 -0.513 7.361 1.00 0.00 WT1 O ATOM 8624 H1 TIP3 1934 5.754 -20.462 2.883 1.00 0.00 WT1 H ATOM 8625 H2 TIP3 1934 1.783 -12.960 2.629 1.00 0.00 WT1 H ATOM 8626 OH2 TIP3 1935 2.761 2.301 0.500 1.00 0.00 WT1 O ATOM 8627 H1 TIP3 1935 -2.215 -7.054 6.587 1.00 0.00 WT1 H ATOM 8628 H2 TIP3 1935 -23.060 -21.159 21.925 1.00 0.00 WT1 H ATOM 8629 OH2 TIP3 1936 -3.971 -4.058 4.973 1.00 0.00 WT1 O ATOM 8630 H1 TIP3 1936 -12.109 -11.382 16.086 1.00 0.00 WT1 H ATOM 8631 H2 TIP3 1936 -10.340 -11.501 -6.015 1.00 0.00 WT1 H ATOM 8632 OH2 TIP3 1937 5.029 4.794 -0.344 1.00 0.00 WT1 O ATOM 8633 H1 TIP3 1937 9.785 4.709 15.789 1.00 0.00 WT1 H ATOM 8634 H2 TIP3 1937 -5.996 9.319 6.891 1.00 0.00 WT1 H ATOM 8635 OH2 TIP3 1938 -0.446 -3.858 -3.535 1.00 0.00 WT1 O ATOM 8636 H1 TIP3 1938 14.106 -2.686 -7.693 1.00 0.00 WT1 H ATOM 8637 H2 TIP3 1938 -25.758 -6.917 13.291 1.00 0.00 WT1 H ATOM 8638 OH2 TIP3 1939 -5.716 -0.730 -2.134 1.00 0.00 WT1 O ATOM 8639 H1 TIP3 1939 -27.392 -21.109 1.159 1.00 0.00 WT1 H ATOM 8640 H2 TIP3 1939 -9.806 -8.215 0.268 1.00 0.00 WT1 H ATOM 8641 OH2 TIP3 1940 -0.499 0.874 -2.777 1.00 0.00 WT1 O ATOM 8642 H1 TIP3 1940 17.281 -12.356 0.913 1.00 0.00 WT1 H ATOM 8643 H2 TIP3 1940 -24.724 17.716 -8.763 1.00 0.00 WT1 H ATOM 8644 OH2 TIP3 1941 1.270 -4.684 -1.638 1.00 0.00 WT1 O ATOM 8645 H1 TIP3 1941 0.763 -5.712 0.667 1.00 0.00 WT1 H ATOM 8646 H2 TIP3 1941 6.344 -7.857 -5.469 1.00 0.00 WT1 H ATOM 8647 OH2 TIP3 1942 -0.145 -0.281 1.418 1.00 0.00 WT1 O ATOM 8648 H1 TIP3 1942 9.198 -0.258 -1.414 1.00 0.00 WT1 H ATOM 8649 H2 TIP3 1942 -2.590 -7.772 -2.265 1.00 0.00 WT1 H ATOM 8650 OH2 TIP3 1943 -1.625 -0.557 1.964 1.00 0.00 WT1 O ATOM 8651 H1 TIP3 1943 -18.808 -10.290 7.577 1.00 0.00 WT1 H ATOM 8652 H2 TIP3 1943 4.975 2.743 0.675 1.00 0.00 WT1 H ATOM 8653 OH2 TIP3 1944 1.287 0.042 2.509 1.00 0.00 WT1 O ATOM 8654 H1 TIP3 1944 -4.501 4.199 -10.423 1.00 0.00 WT1 H ATOM 8655 H2 TIP3 1944 7.314 2.441 -5.264 1.00 0.00 WT1 H ATOM 8656 OH2 TIP3 1945 6.696 4.520 0.556 1.00 0.00 WT1 O ATOM 8657 H1 TIP3 1945 -15.248 10.938 0.596 1.00 0.00 WT1 H ATOM 8658 H2 TIP3 1945 13.072 -8.526 -9.692 1.00 0.00 WT1 H ATOM 8659 OH2 TIP3 1946 1.876 6.424 5.753 1.00 0.00 WT1 O ATOM 8660 H1 TIP3 1946 -17.414 -3.800 17.149 1.00 0.00 WT1 H ATOM 8661 H2 TIP3 1946 3.465 -2.077 -10.682 1.00 0.00 WT1 H ATOM 8662 OH2 TIP3 1947 -7.460 7.630 0.050 1.00 0.00 WT1 O ATOM 8663 H1 TIP3 1947 -8.243 7.319 3.434 1.00 0.00 WT1 H ATOM 8664 H2 TIP3 1947 13.857 30.857 -11.484 1.00 0.00 WT1 H ATOM 8665 OH2 TIP3 1948 0.734 -0.114 3.269 1.00 0.00 WT1 O ATOM 8666 H1 TIP3 1948 12.904 -4.861 -15.766 1.00 0.00 WT1 H ATOM 8667 H2 TIP3 1948 -17.082 0.386 3.206 1.00 0.00 WT1 H ATOM 8668 OH2 TIP3 1949 -0.163 1.037 6.198 1.00 0.00 WT1 O ATOM 8669 H1 TIP3 1949 -24.531 4.378 6.360 1.00 0.00 WT1 H ATOM 8670 H2 TIP3 1949 -18.994 -3.732 0.438 1.00 0.00 WT1 H ATOM 8671 OH2 TIP3 1950 0.648 4.665 -8.870 1.00 0.00 WT1 O ATOM 8672 H1 TIP3 1950 -29.933 -2.165 -0.617 1.00 0.00 WT1 H ATOM 8673 H2 TIP3 1950 -9.732 11.756 -14.164 1.00 0.00 WT1 H ATOM 8674 OH2 TIP3 1951 -7.282 -0.192 -1.528 1.00 0.00 WT1 O ATOM 8675 H1 TIP3 1951 -9.417 -24.000 13.873 1.00 0.00 WT1 H ATOM 8676 H2 TIP3 1951 -3.767 18.598 -12.035 1.00 0.00 WT1 H ATOM 8677 OH2 TIP3 1952 -4.126 -9.738 -0.047 1.00 0.00 WT1 O ATOM 8678 H1 TIP3 1952 -20.407 -12.554 8.727 1.00 0.00 WT1 H ATOM 8679 H2 TIP3 1952 -1.219 -4.563 -1.255 1.00 0.00 WT1 H ATOM 8680 OH2 TIP3 1953 3.178 4.985 -6.322 1.00 0.00 WT1 O ATOM 8681 H1 TIP3 1953 2.509 -8.501 7.674 1.00 0.00 WT1 H ATOM 8682 H2 TIP3 1953 -11.896 6.721 -27.861 1.00 0.00 WT1 H ATOM 8683 OH2 TIP3 1954 1.753 -1.350 0.154 1.00 0.00 WT1 O ATOM 8684 H1 TIP3 1954 0.571 1.172 -1.592 1.00 0.00 WT1 H ATOM 8685 H2 TIP3 1954 0.084 -23.084 0.800 1.00 0.00 WT1 H ATOM 8686 OH2 TIP3 1955 -6.193 -1.335 1.056 1.00 0.00 WT1 O ATOM 8687 H1 TIP3 1955 -30.735 -3.103 9.967 1.00 0.00 WT1 H ATOM 8688 H2 TIP3 1955 3.187 -5.363 -0.899 1.00 0.00 WT1 H ATOM 8689 OH2 TIP3 1956 3.138 1.319 -0.299 1.00 0.00 WT1 O ATOM 8690 H1 TIP3 1956 1.501 -26.088 -7.631 1.00 0.00 WT1 H ATOM 8691 H2 TIP3 1956 23.372 11.665 -0.034 1.00 0.00 WT1 H ATOM 8692 OH2 TIP3 1957 -5.927 -0.063 9.001 1.00 0.00 WT1 O ATOM 8693 H1 TIP3 1957 -2.740 -1.126 13.701 1.00 0.00 WT1 H ATOM 8694 H2 TIP3 1957 -14.194 1.117 -9.014 1.00 0.00 WT1 H ATOM 8695 OH2 TIP3 1958 -5.687 -0.488 0.154 1.00 0.00 WT1 O ATOM 8696 H1 TIP3 1958 -11.778 -22.824 -8.490 1.00 0.00 WT1 H ATOM 8697 H2 TIP3 1958 13.279 1.747 5.051 1.00 0.00 WT1 H ATOM 8698 OH2 TIP3 1959 -8.211 5.777 -0.534 1.00 0.00 WT1 O ATOM 8699 H1 TIP3 1959 -14.187 -2.753 0.703 1.00 0.00 WT1 H ATOM 8700 H2 TIP3 1959 3.866 -5.228 32.789 1.00 0.00 WT1 H ATOM 8701 OH2 TIP3 1960 5.275 -0.271 3.157 1.00 0.00 WT1 O ATOM 8702 H1 TIP3 1960 2.206 24.664 9.655 1.00 0.00 WT1 H ATOM 8703 H2 TIP3 1960 6.370 -2.459 4.181 1.00 0.00 WT1 H ATOM 8704 OH2 TIP3 1961 -1.589 -3.848 -2.995 1.00 0.00 WT1 O ATOM 8705 H1 TIP3 1961 -5.757 4.066 17.356 1.00 0.00 WT1 H ATOM 8706 H2 TIP3 1961 -4.258 -26.410 3.170 1.00 0.00 WT1 H ATOM 8707 OH2 TIP3 1962 -1.069 -0.569 -3.120 1.00 0.00 WT1 O ATOM 8708 H1 TIP3 1962 19.418 -10.155 -11.574 1.00 0.00 WT1 H ATOM 8709 H2 TIP3 1962 -18.561 -0.957 0.057 1.00 0.00 WT1 H ATOM 8710 OH2 TIP3 1964 2.296 4.230 2.466 1.00 0.00 WT1 O ATOM 8711 H1 TIP3 1964 -1.547 3.190 9.269 1.00 0.00 WT1 H ATOM 8712 H2 TIP3 1964 -3.881 3.245 15.095 1.00 0.00 WT1 H ATOM 8713 OH2 TIP3 1965 -0.671 -0.240 3.806 1.00 0.00 WT1 O ATOM 8714 H1 TIP3 1965 4.369 -6.210 16.540 1.00 0.00 WT1 H ATOM 8715 H2 TIP3 1965 -5.599 3.531 -8.758 1.00 0.00 WT1 H ATOM 8716 OH2 TIP3 1966 0.779 3.275 -0.300 1.00 0.00 WT1 O ATOM 8717 H1 TIP3 1966 -33.794 -5.239 8.484 1.00 0.00 WT1 H ATOM 8718 H2 TIP3 1966 11.151 -2.468 -7.958 1.00 0.00 WT1 H ATOM 8719 OH2 TIP3 1967 -2.160 0.386 2.110 1.00 0.00 WT1 O ATOM 8720 H1 TIP3 1967 -2.236 13.322 8.246 1.00 0.00 WT1 H ATOM 8721 H2 TIP3 1967 14.097 22.552 -15.051 1.00 0.00 WT1 H ATOM 8722 OH2 TIP3 1968 -1.695 1.815 3.409 1.00 0.00 WT1 O ATOM 8723 H1 TIP3 1968 -6.189 0.017 7.731 1.00 0.00 WT1 H ATOM 8724 H2 TIP3 1968 1.270 9.044 -3.155 1.00 0.00 WT1 H ATOM 8725 OH2 TIP3 1969 -6.047 -3.551 -0.985 1.00 0.00 WT1 O ATOM 8726 H1 TIP3 1969 -15.407 -26.988 -11.755 1.00 0.00 WT1 H ATOM 8727 H2 TIP3 1969 6.377 12.254 7.133 1.00 0.00 WT1 H ATOM 8728 OH2 TIP3 1971 6.051 4.051 2.918 1.00 0.00 WT1 O ATOM 8729 H1 TIP3 1971 5.197 24.085 7.404 1.00 0.00 WT1 H ATOM 8730 H2 TIP3 1971 6.630 -3.838 -1.268 1.00 0.00 WT1 H ATOM 8731 OH2 TIP3 1973 -6.142 8.759 -6.469 1.00 0.00 WT1 O ATOM 8732 H1 TIP3 1973 22.624 9.807 -3.071 1.00 0.00 WT1 H ATOM 8733 H2 TIP3 1973 10.918 7.273 5.214 1.00 0.00 WT1 H ATOM 8734 OH2 TIP3 1974 -7.484 -4.258 6.205 1.00 0.00 WT1 O ATOM 8735 H1 TIP3 1974 5.948 -14.167 9.628 1.00 0.00 WT1 H ATOM 8736 H2 TIP3 1974 -0.862 6.843 -0.440 1.00 0.00 WT1 H ATOM 8737 OH2 TIP3 1975 3.418 4.683 -0.300 1.00 0.00 WT1 O ATOM 8738 H1 TIP3 1975 5.926 -3.444 -19.956 1.00 0.00 WT1 H ATOM 8739 H2 TIP3 1975 11.193 -8.095 4.325 1.00 0.00 WT1 H ATOM 8740 OH2 TIP3 1976 -1.088 -2.403 -6.775 1.00 0.00 WT1 O ATOM 8741 H1 TIP3 1976 4.255 -11.278 0.678 1.00 0.00 WT1 H ATOM 8742 H2 TIP3 1976 -11.882 -1.845 -11.944 1.00 0.00 WT1 H ATOM 8743 OH2 TIP3 1977 1.453 5.865 -7.241 1.00 0.00 WT1 O ATOM 8744 H1 TIP3 1977 -7.629 2.477 -21.628 1.00 0.00 WT1 H ATOM 8745 H2 TIP3 1977 -6.282 10.647 1.777 1.00 0.00 WT1 H ATOM 8746 OH2 TIP3 1978 -0.240 -3.407 -0.719 1.00 0.00 WT1 O ATOM 8747 H1 TIP3 1978 -3.501 6.407 -23.910 1.00 0.00 WT1 H ATOM 8748 H2 TIP3 1978 -1.429 -18.158 -5.709 1.00 0.00 WT1 H ATOM 8749 OH2 TIP3 1979 -5.110 4.279 1.312 1.00 0.00 WT1 O ATOM 8750 H1 TIP3 1979 -15.079 -4.146 -5.372 1.00 0.00 WT1 H ATOM 8751 H2 TIP3 1979 -6.147 3.020 0.382 1.00 0.00 WT1 H ATOM 8752 OH2 TIP3 1980 1.078 4.972 3.089 1.00 0.00 WT1 O ATOM 8753 H1 TIP3 1980 1.374 -12.421 -10.464 1.00 0.00 WT1 H ATOM 8754 H2 TIP3 1980 16.294 14.865 -6.103 1.00 0.00 WT1 H ATOM 8755 OH2 TIP3 1981 -3.303 -0.312 3.398 1.00 0.00 WT1 O ATOM 8756 H1 TIP3 1981 21.761 -28.200 12.740 1.00 0.00 WT1 H ATOM 8757 H2 TIP3 1981 -4.672 -1.998 4.602 1.00 0.00 WT1 H ATOM 8758 OH2 TIP3 1982 -3.558 1.269 -1.237 1.00 0.00 WT1 O ATOM 8759 H1 TIP3 1982 -3.726 -2.167 -2.976 1.00 0.00 WT1 H ATOM 8760 H2 TIP3 1982 -5.561 1.043 -0.129 1.00 0.00 WT1 H ATOM 8761 OH2 TIP3 1983 -7.513 2.685 -3.817 1.00 0.00 WT1 O ATOM 8762 H1 TIP3 1983 -2.155 1.391 -0.456 1.00 0.00 WT1 H ATOM 8763 H2 TIP3 1983 -23.480 -16.932 -21.224 1.00 0.00 WT1 H ATOM 8764 OH2 TIP3 1984 -1.307 -1.744 -2.662 1.00 0.00 WT1 O ATOM 8765 H1 TIP3 1984 4.088 0.231 19.285 1.00 0.00 WT1 H ATOM 8766 H2 TIP3 1984 8.204 -15.987 -7.262 1.00 0.00 WT1 H ATOM 8767 OH2 TIP3 1986 -8.455 -5.423 1.493 1.00 0.00 WT1 O ATOM 8768 H1 TIP3 1986 1.114 -3.724 12.926 1.00 0.00 WT1 H ATOM 8769 H2 TIP3 1986 4.405 -16.072 -20.033 1.00 0.00 WT1 H ATOM 8770 OH2 TIP3 1987 1.362 -5.465 -0.767 1.00 0.00 WT1 O ATOM 8771 H1 TIP3 1987 -2.470 -8.398 -22.937 1.00 0.00 WT1 H ATOM 8772 H2 TIP3 1987 -12.536 13.141 5.661 1.00 0.00 WT1 H ATOM 8773 OH2 TIP3 1989 1.907 1.935 -0.910 1.00 0.00 WT1 O ATOM 8774 H1 TIP3 1989 11.386 -18.694 -20.685 1.00 0.00 WT1 H ATOM 8775 H2 TIP3 1989 -5.038 6.618 -11.073 1.00 0.00 WT1 H ATOM 8776 OH2 TIP3 1990 0.674 -0.254 6.939 1.00 0.00 WT1 O ATOM 8777 H1 TIP3 1990 11.238 -2.405 -9.703 1.00 0.00 WT1 H ATOM 8778 H2 TIP3 1990 -17.371 -10.236 -8.683 1.00 0.00 WT1 H ATOM 8779 OH2 TIP3 1991 -0.108 5.630 -5.436 1.00 0.00 WT1 O ATOM 8780 H1 TIP3 1991 5.378 9.511 -4.478 1.00 0.00 WT1 H ATOM 8781 H2 TIP3 1991 3.697 2.957 -4.177 1.00 0.00 WT1 H ATOM 8782 OH2 TIP3 1992 8.386 -4.748 0.815 1.00 0.00 WT1 O ATOM 8783 H1 TIP3 1992 17.001 -11.329 -3.121 1.00 0.00 WT1 H ATOM 8784 H2 TIP3 1992 -25.069 -12.072 -0.715 1.00 0.00 WT1 H ATOM 8785 OH2 TIP3 1993 2.328 -0.909 -7.443 1.00 0.00 WT1 O ATOM 8786 H1 TIP3 1993 -20.122 -15.620 0.179 1.00 0.00 WT1 H ATOM 8787 H2 TIP3 1993 -4.813 -2.786 -21.326 1.00 0.00 WT1 H ATOM 8788 OH2 TIP3 1994 1.286 1.534 2.293 1.00 0.00 WT1 O ATOM 8789 H1 TIP3 1994 -2.765 13.845 -0.374 1.00 0.00 WT1 H ATOM 8790 H2 TIP3 1994 13.284 -0.974 4.865 1.00 0.00 WT1 H ATOM 8791 OH2 TIP3 1995 -0.187 -0.666 -6.299 1.00 0.00 WT1 O ATOM 8792 H1 TIP3 1995 -4.312 -15.931 -3.264 1.00 0.00 WT1 H ATOM 8793 H2 TIP3 1995 -0.010 -25.905 -17.611 1.00 0.00 WT1 H ATOM 8794 OH2 TIP3 1996 -4.653 2.671 4.639 1.00 0.00 WT1 O ATOM 8795 H1 TIP3 1996 -20.937 -14.394 7.317 1.00 0.00 WT1 H ATOM 8796 H2 TIP3 1996 22.049 -0.655 -0.233 1.00 0.00 WT1 H ATOM 8797 OH2 TIP3 1997 -0.402 -2.630 2.850 1.00 0.00 WT1 O ATOM 8798 H1 TIP3 1997 1.340 -4.911 0.835 1.00 0.00 WT1 H ATOM 8799 H2 TIP3 1997 3.157 -6.517 -4.315 1.00 0.00 WT1 H ATOM 8800 OH2 TIP3 1998 3.645 2.946 1.121 1.00 0.00 WT1 O ATOM 8801 H1 TIP3 1998 7.785 -2.193 -3.174 1.00 0.00 WT1 H ATOM 8802 H2 TIP3 1998 10.982 -3.377 -5.980 1.00 0.00 WT1 H ATOM 8803 OH2 TIP3 1999 4.003 1.167 5.272 1.00 0.00 WT1 O ATOM 8804 H1 TIP3 1999 8.087 12.819 -4.617 1.00 0.00 WT1 H ATOM 8805 H2 TIP3 1999 11.353 -14.280 6.199 1.00 0.00 WT1 H ATOM 8806 OH2 TIP3 2000 3.455 2.963 -6.340 1.00 0.00 WT1 O ATOM 8807 H1 TIP3 2000 8.788 -7.610 -17.132 1.00 0.00 WT1 H ATOM 8808 H2 TIP3 2000 -0.147 -19.037 15.989 1.00 0.00 WT1 H ATOM 8809 OH2 TIP3 2001 -0.689 -0.481 1.997 1.00 0.00 WT1 O ATOM 8810 H1 TIP3 2001 20.357 -19.316 -17.696 1.00 0.00 WT1 H ATOM 8811 H2 TIP3 2001 0.689 6.679 13.486 1.00 0.00 WT1 H ATOM 8812 OH2 TIP3 2002 -3.165 1.714 0.412 1.00 0.00 WT1 O ATOM 8813 H1 TIP3 2002 3.203 -0.930 -1.954 1.00 0.00 WT1 H ATOM 8814 H2 TIP3 2002 -6.206 7.691 -6.668 1.00 0.00 WT1 H ATOM 8815 OH2 TIP3 2003 3.886 -2.652 -0.825 1.00 0.00 WT1 O ATOM 8816 H1 TIP3 2003 4.268 11.729 7.648 1.00 0.00 WT1 H ATOM 8817 H2 TIP3 2003 9.418 -7.821 -18.549 1.00 0.00 WT1 H ATOM 8818 OH2 TIP3 2004 -0.879 -0.028 3.371 1.00 0.00 WT1 O ATOM 8819 H1 TIP3 2004 -3.730 9.250 -6.723 1.00 0.00 WT1 H ATOM 8820 H2 TIP3 2004 0.938 9.123 -5.251 1.00 0.00 WT1 H ATOM 8821 OH2 TIP3 2005 3.147 5.165 2.484 1.00 0.00 WT1 O ATOM 8822 H1 TIP3 2005 8.468 10.710 -6.042 1.00 0.00 WT1 H ATOM 8823 H2 TIP3 2005 -2.895 -2.469 11.782 1.00 0.00 WT1 H ATOM 8824 OH2 TIP3 2006 -6.325 -8.189 0.431 1.00 0.00 WT1 O ATOM 8825 H1 TIP3 2006 8.264 -5.582 2.458 1.00 0.00 WT1 H ATOM 8826 H2 TIP3 2006 -21.559 -8.091 1.718 1.00 0.00 WT1 H ATOM 8827 OH2 TIP3 2008 5.828 5.539 -1.335 1.00 0.00 WT1 O ATOM 8828 H1 TIP3 2008 5.192 -14.811 11.886 1.00 0.00 WT1 H ATOM 8829 H2 TIP3 2008 -12.921 12.091 10.640 1.00 0.00 WT1 H ATOM 8830 OH2 TIP3 2010 0.795 1.871 0.328 1.00 0.00 WT1 O ATOM 8831 H1 TIP3 2010 -2.818 4.859 2.561 1.00 0.00 WT1 H ATOM 8832 H2 TIP3 2010 1.955 -0.890 3.042 1.00 0.00 WT1 H ATOM 8833 OH2 TIP3 2013 -0.056 0.220 -3.297 1.00 0.00 WT1 O ATOM 8834 H1 TIP3 2013 -0.909 5.061 -0.089 1.00 0.00 WT1 H ATOM 8835 H2 TIP3 2013 -10.626 5.384 5.735 1.00 0.00 WT1 H ATOM 8836 OH2 TIP3 2014 -0.896 1.424 -4.048 1.00 0.00 WT1 O ATOM 8837 H1 TIP3 2014 0.699 10.894 9.613 1.00 0.00 WT1 H ATOM 8838 H2 TIP3 2014 -4.665 -6.781 -6.737 1.00 0.00 WT1 H ATOM 8839 OH2 TIP3 2015 0.634 -2.833 0.667 1.00 0.00 WT1 O ATOM 8840 H1 TIP3 2015 13.819 -9.404 -11.363 1.00 0.00 WT1 H ATOM 8841 H2 TIP3 2015 15.305 9.655 7.812 1.00 0.00 WT1 H ATOM 8842 OH2 TIP3 2016 4.381 0.772 3.364 1.00 0.00 WT1 O ATOM 8843 H1 TIP3 2016 11.769 17.601 -9.530 1.00 0.00 WT1 H ATOM 8844 H2 TIP3 2016 1.396 4.921 12.639 1.00 0.00 WT1 H ATOM 8845 OH2 TIP3 2017 -1.934 -2.335 3.969 1.00 0.00 WT1 O ATOM 8846 H1 TIP3 2017 -19.569 0.788 -16.097 1.00 0.00 WT1 H ATOM 8847 H2 TIP3 2017 6.903 15.244 3.768 1.00 0.00 WT1 H ATOM 8848 OH2 TIP3 2018 1.817 2.111 1.598 1.00 0.00 WT1 O ATOM 8849 H1 TIP3 2018 1.818 1.504 0.155 1.00 0.00 WT1 H ATOM 8850 H2 TIP3 2018 1.339 2.713 2.191 1.00 0.00 WT1 H ATOM 8851 OH2 TIP3 2019 4.250 -2.916 12.367 1.00 0.00 WT1 O ATOM 8852 H1 TIP3 2019 -3.418 -17.785 -5.504 1.00 0.00 WT1 H ATOM 8853 H2 TIP3 2019 14.036 7.463 11.276 1.00 0.00 WT1 H ATOM 8854 OH2 TIP3 2020 2.086 0.446 3.844 1.00 0.00 WT1 O ATOM 8855 H1 TIP3 2020 2.690 -5.709 -3.794 1.00 0.00 WT1 H ATOM 8856 H2 TIP3 2020 4.177 -17.253 -17.887 1.00 0.00 WT1 H ATOM 8857 OH2 TIP3 2021 -6.196 2.057 1.616 1.00 0.00 WT1 O ATOM 8858 H1 TIP3 2021 -8.506 -23.679 -8.000 1.00 0.00 WT1 H ATOM 8859 H2 TIP3 2021 25.060 -3.915 0.585 1.00 0.00 WT1 H ATOM 8860 OH2 TIP3 2022 -1.309 0.126 1.583 1.00 0.00 WT1 O ATOM 8861 H1 TIP3 2022 2.889 -37.364 -1.196 1.00 0.00 WT1 H ATOM 8862 H2 TIP3 2022 11.632 -0.604 -35.744 1.00 0.00 WT1 H ATOM 8863 OH2 TIP3 2023 -0.473 -0.775 8.365 1.00 0.00 WT1 O ATOM 8864 H1 TIP3 2023 8.853 0.743 -3.492 1.00 0.00 WT1 H ATOM 8865 H2 TIP3 2023 4.838 -1.330 6.571 1.00 0.00 WT1 H ATOM 8866 OH2 TIP3 2024 6.321 -1.915 -1.721 1.00 0.00 WT1 O ATOM 8867 H1 TIP3 2024 1.798 -0.205 -1.012 1.00 0.00 WT1 H ATOM 8868 H2 TIP3 2024 -11.425 8.306 5.179 1.00 0.00 WT1 H ATOM 8869 OH2 TIP3 2025 3.557 3.692 -4.264 1.00 0.00 WT1 O ATOM 8870 H1 TIP3 2025 4.247 -8.410 -4.054 1.00 0.00 WT1 H ATOM 8871 H2 TIP3 2025 -0.133 -7.637 3.683 1.00 0.00 WT1 H ATOM 8872 OH2 TIP3 2030 1.271 -6.467 4.292 1.00 0.00 WT1 O ATOM 8873 H1 TIP3 2030 5.001 -5.304 6.573 1.00 0.00 WT1 H ATOM 8874 H2 TIP3 2030 -12.688 10.781 -0.882 1.00 0.00 WT1 H ATOM 8875 OH2 TIP3 2032 0.985 -1.549 1.920 1.00 0.00 WT1 O ATOM 8876 H1 TIP3 2032 6.738 -3.770 1.691 1.00 0.00 WT1 H ATOM 8877 H2 TIP3 2032 -1.299 -3.425 -3.844 1.00 0.00 WT1 H ATOM 8878 OH2 TIP3 2033 3.597 -4.779 1.084 1.00 0.00 WT1 O ATOM 8879 H1 TIP3 2033 -9.450 -10.770 6.973 1.00 0.00 WT1 H ATOM 8880 H2 TIP3 2033 25.957 3.895 -11.365 1.00 0.00 WT1 H ATOM 8881 OH2 TIP3 2035 -4.634 -3.747 6.707 1.00 0.00 WT1 O ATOM 8882 H1 TIP3 2035 3.225 -3.719 2.575 1.00 0.00 WT1 H ATOM 8883 H2 TIP3 2035 -26.042 -3.532 -8.384 1.00 0.00 WT1 H ATOM 8884 OH2 TIP3 2036 4.266 1.679 6.599 1.00 0.00 WT1 O ATOM 8885 H1 TIP3 2036 11.856 10.715 -12.563 1.00 0.00 WT1 H ATOM 8886 H2 TIP3 2036 -6.331 -9.590 -4.550 1.00 0.00 WT1 H ATOM 8887 OH2 TIP3 2037 5.035 1.729 -5.723 1.00 0.00 WT1 O ATOM 8888 H1 TIP3 2037 0.515 -2.434 1.542 1.00 0.00 WT1 H ATOM 8889 H2 TIP3 2037 21.273 5.760 0.742 1.00 0.00 WT1 H ATOM 8890 OH2 TIP3 2038 -5.375 5.055 -1.444 1.00 0.00 WT1 O ATOM 8891 H1 TIP3 2038 11.190 -16.658 -15.591 1.00 0.00 WT1 H ATOM 8892 H2 TIP3 2038 -26.495 -12.083 9.964 1.00 0.00 WT1 H ATOM 8893 OH2 TIP3 2040 5.625 1.366 4.692 1.00 0.00 WT1 O ATOM 8894 H1 TIP3 2040 7.612 -12.561 7.759 1.00 0.00 WT1 H ATOM 8895 H2 TIP3 2040 6.902 8.020 15.522 1.00 0.00 WT1 H ATOM 8896 OH2 TIP3 2041 -0.642 1.354 -0.499 1.00 0.00 WT1 O ATOM 8897 H1 TIP3 2041 6.736 10.317 0.921 1.00 0.00 WT1 H ATOM 8898 H2 TIP3 2041 -5.636 -14.907 -5.826 1.00 0.00 WT1 H ATOM 8899 OH2 TIP3 2042 4.028 2.766 2.715 1.00 0.00 WT1 O ATOM 8900 H1 TIP3 2042 -0.947 -0.392 1.079 1.00 0.00 WT1 H ATOM 8901 H2 TIP3 2042 8.742 11.312 -1.819 1.00 0.00 WT1 H ATOM 8902 OH2 TIP3 2043 0.632 1.244 -0.104 1.00 0.00 WT1 O ATOM 8903 H1 TIP3 2043 21.641 -30.898 6.164 1.00 0.00 WT1 H ATOM 8904 H2 TIP3 2043 -21.379 10.853 27.119 1.00 0.00 WT1 H ATOM 8905 OH2 TIP3 2044 -9.604 -0.257 -0.397 1.00 0.00 WT1 O ATOM 8906 H1 TIP3 2044 -8.921 -11.278 0.931 1.00 0.00 WT1 H ATOM 8907 H2 TIP3 2044 -9.261 -9.940 2.170 1.00 0.00 WT1 H ATOM 8908 OH2 TIP3 2045 -6.737 5.237 -5.223 1.00 0.00 WT1 O ATOM 8909 H1 TIP3 2045 -14.859 -2.433 -29.854 1.00 0.00 WT1 H ATOM 8910 H2 TIP3 2045 -12.605 4.084 -33.352 1.00 0.00 WT1 H ATOM 8911 OH2 TIP3 2046 3.838 -5.535 2.218 1.00 0.00 WT1 O ATOM 8912 H1 TIP3 2046 -28.490 -0.893 13.914 1.00 0.00 WT1 H ATOM 8913 H2 TIP3 2046 -9.315 -10.300 10.045 1.00 0.00 WT1 H ATOM 8914 OH2 TIP3 2047 -2.482 -7.278 1.979 1.00 0.00 WT1 O ATOM 8915 H1 TIP3 2047 8.790 32.685 -8.142 1.00 0.00 WT1 H ATOM 8916 H2 TIP3 2047 -17.512 -13.967 21.959 1.00 0.00 WT1 H ATOM 8917 OH2 TIP3 2049 -4.359 -7.241 10.445 1.00 0.00 WT1 O ATOM 8918 H1 TIP3 2049 0.318 15.057 25.112 1.00 0.00 WT1 H ATOM 8919 H2 TIP3 2049 -6.376 -13.622 15.862 1.00 0.00 WT1 H ATOM 8920 OH2 TIP3 2051 -5.722 2.902 -1.541 1.00 0.00 WT1 O ATOM 8921 H1 TIP3 2051 -1.418 -5.995 -3.813 1.00 0.00 WT1 H ATOM 8922 H2 TIP3 2051 -28.121 12.506 22.942 1.00 0.00 WT1 H ATOM 8923 OH2 TIP3 2052 8.619 1.703 -1.329 1.00 0.00 WT1 O ATOM 8924 H1 TIP3 2052 4.309 11.691 -8.900 1.00 0.00 WT1 H ATOM 8925 H2 TIP3 2052 13.450 2.853 -4.208 1.00 0.00 WT1 H ATOM 8926 OH2 TIP3 2053 2.241 -4.342 0.201 1.00 0.00 WT1 O ATOM 8927 H1 TIP3 2053 7.342 0.383 6.485 1.00 0.00 WT1 H ATOM 8928 H2 TIP3 2053 5.547 11.796 -7.350 1.00 0.00 WT1 H ATOM 8929 OH2 TIP3 2055 6.281 1.996 2.659 1.00 0.00 WT1 O ATOM 8930 H1 TIP3 2055 13.430 5.983 5.160 1.00 0.00 WT1 H ATOM 8931 H2 TIP3 2055 -3.155 -5.610 0.481 1.00 0.00 WT1 H ATOM 8932 OH2 TIP3 2056 3.692 0.913 1.814 1.00 0.00 WT1 O ATOM 8933 H1 TIP3 2056 10.005 6.313 11.226 1.00 0.00 WT1 H ATOM 8934 H2 TIP3 2056 2.542 -12.461 -5.692 1.00 0.00 WT1 H ATOM 8935 OH2 TIP3 2057 -0.996 0.636 5.394 1.00 0.00 WT1 O ATOM 8936 H1 TIP3 2057 13.261 21.144 -7.910 1.00 0.00 WT1 H ATOM 8937 H2 TIP3 2057 10.621 36.353 -8.970 1.00 0.00 WT1 H ATOM 8938 OH2 TIP3 2058 4.808 -2.931 -8.389 1.00 0.00 WT1 O ATOM 8939 H1 TIP3 2058 -8.999 -10.302 -5.337 1.00 0.00 WT1 H ATOM 8940 H2 TIP3 2058 9.694 5.046 -6.307 1.00 0.00 WT1 H ATOM 8941 OH2 TIP3 2059 1.853 1.195 4.270 1.00 0.00 WT1 O ATOM 8942 H1 TIP3 2059 14.441 -12.610 -6.015 1.00 0.00 WT1 H ATOM 8943 H2 TIP3 2059 -12.525 10.601 -11.499 1.00 0.00 WT1 H ATOM 8944 OH2 TIP3 2060 -0.996 -6.475 2.193 1.00 0.00 WT1 O ATOM 8945 H1 TIP3 2060 8.529 -9.107 -14.850 1.00 0.00 WT1 H ATOM 8946 H2 TIP3 2060 -4.147 20.490 0.827 1.00 0.00 WT1 H ATOM 8947 OH2 TIP3 2061 -4.836 -5.211 0.143 1.00 0.00 WT1 O ATOM 8948 H1 TIP3 2061 12.108 -24.535 -0.584 1.00 0.00 WT1 H ATOM 8949 H2 TIP3 2061 -11.558 0.844 25.044 1.00 0.00 WT1 H ATOM 8950 OH2 TIP3 2062 -2.031 -1.932 -5.298 1.00 0.00 WT1 O ATOM 8951 H1 TIP3 2062 -3.076 -10.455 3.541 1.00 0.00 WT1 H ATOM 8952 H2 TIP3 2062 18.642 14.189 -18.132 1.00 0.00 WT1 H ATOM 8953 OH2 TIP3 2063 -1.906 -9.319 -4.374 1.00 0.00 WT1 O ATOM 8954 H1 TIP3 2063 -24.865 28.527 8.993 1.00 0.00 WT1 H ATOM 8955 H2 TIP3 2063 -9.049 -9.162 2.881 1.00 0.00 WT1 H ATOM 8956 OH2 TIP3 2064 0.736 3.862 -0.084 1.00 0.00 WT1 O ATOM 8957 H1 TIP3 2064 -17.020 12.143 12.032 1.00 0.00 WT1 H ATOM 8958 H2 TIP3 2064 -3.535 -3.979 -20.717 1.00 0.00 WT1 H ATOM 8959 OH2 TIP3 2066 0.819 -0.576 -2.613 1.00 0.00 WT1 O ATOM 8960 H1 TIP3 2066 0.416 -0.764 -1.839 1.00 0.00 WT1 H ATOM 8961 H2 TIP3 2066 1.467 -0.393 -6.683 1.00 0.00 WT1 H ATOM 8962 OH2 TIP3 2067 0.594 -2.828 3.795 1.00 0.00 WT1 O ATOM 8963 H1 TIP3 2067 2.858 -10.483 5.661 1.00 0.00 WT1 H ATOM 8964 H2 TIP3 2067 3.105 4.209 4.822 1.00 0.00 WT1 H ATOM 8965 OH2 TIP3 2068 4.027 0.748 2.494 1.00 0.00 WT1 O ATOM 8966 H1 TIP3 2068 23.317 9.372 -0.926 1.00 0.00 WT1 H ATOM 8967 H2 TIP3 2068 -6.612 11.391 -13.717 1.00 0.00 WT1 H ATOM 8968 OH2 TIP3 2069 -5.512 -2.356 -0.745 1.00 0.00 WT1 O ATOM 8969 H1 TIP3 2069 -6.296 5.824 -1.878 1.00 0.00 WT1 H ATOM 8970 H2 TIP3 2069 -10.194 -1.904 8.045 1.00 0.00 WT1 H ATOM 8971 OH2 TIP3 2070 3.450 1.134 1.368 1.00 0.00 WT1 O ATOM 8972 H1 TIP3 2070 9.210 7.111 -5.440 1.00 0.00 WT1 H ATOM 8973 H2 TIP3 2070 -8.651 -2.713 10.445 1.00 0.00 WT1 H ATOM 8974 OH2 TIP3 2071 0.385 8.610 -1.777 1.00 0.00 WT1 O ATOM 8975 H1 TIP3 2071 -1.093 -5.268 2.979 1.00 0.00 WT1 H ATOM 8976 H2 TIP3 2071 -0.717 7.789 -1.378 1.00 0.00 WT1 H ATOM 8977 OH2 TIP3 2074 -2.727 -2.028 0.794 1.00 0.00 WT1 O ATOM 8978 H1 TIP3 2074 -6.793 0.028 0.121 1.00 0.00 WT1 H ATOM 8979 H2 TIP3 2074 2.543 -27.356 -19.618 1.00 0.00 WT1 H ATOM 8980 OH2 TIP3 2075 -1.673 6.670 3.920 1.00 0.00 WT1 O ATOM 8981 H1 TIP3 2075 -11.486 -11.720 20.268 1.00 0.00 WT1 H ATOM 8982 H2 TIP3 2075 3.495 27.288 18.420 1.00 0.00 WT1 H ATOM 8983 OH2 TIP3 2076 -6.529 -2.212 0.510 1.00 0.00 WT1 O ATOM 8984 H1 TIP3 2076 -0.088 21.751 6.951 1.00 0.00 WT1 H ATOM 8985 H2 TIP3 2076 13.902 -22.344 10.944 1.00 0.00 WT1 H ATOM 8986 OH2 TIP3 2079 -0.013 10.556 1.149 1.00 0.00 WT1 O ATOM 8987 H1 TIP3 2079 7.606 16.614 3.132 1.00 0.00 WT1 H ATOM 8988 H2 TIP3 2079 -6.831 5.174 -1.463 1.00 0.00 WT1 H ATOM 8989 OH2 TIP3 2080 -3.421 -5.409 2.817 1.00 0.00 WT1 O ATOM 8990 H1 TIP3 2080 -9.850 -7.776 -11.043 1.00 0.00 WT1 H ATOM 8991 H2 TIP3 2080 14.131 -1.303 -1.759 1.00 0.00 WT1 H ATOM 8992 OH2 TIP3 2081 -4.968 -1.725 -1.473 1.00 0.00 WT1 O ATOM 8993 H1 TIP3 2081 6.068 5.628 -16.875 1.00 0.00 WT1 H ATOM 8994 H2 TIP3 2081 0.659 5.270 -22.081 1.00 0.00 WT1 H ATOM 8995 OH2 TIP3 2082 -2.766 3.427 1.585 1.00 0.00 WT1 O ATOM 8996 H1 TIP3 2082 -0.025 9.237 -0.341 1.00 0.00 WT1 H ATOM 8997 H2 TIP3 2082 19.351 -8.739 6.717 1.00 0.00 WT1 H ATOM 8998 OH2 TIP3 2083 5.412 -6.756 0.316 1.00 0.00 WT1 O ATOM 8999 H1 TIP3 2083 -4.184 -5.185 -8.265 1.00 0.00 WT1 H ATOM 9000 H2 TIP3 2083 0.236 -6.492 4.104 1.00 0.00 WT1 H ATOM 9001 OH2 TIP3 2084 0.853 -2.668 -4.077 1.00 0.00 WT1 O ATOM 9002 H1 TIP3 2084 -8.256 -0.827 4.634 1.00 0.00 WT1 H ATOM 9003 H2 TIP3 2084 -6.730 1.800 -10.139 1.00 0.00 WT1 H ATOM 9004 OH2 TIP3 2086 8.192 -1.945 -1.173 1.00 0.00 WT1 O ATOM 9005 H1 TIP3 2086 7.546 -0.869 -2.121 1.00 0.00 WT1 H ATOM 9006 H2 TIP3 2086 -4.707 5.138 -10.339 1.00 0.00 WT1 H ATOM 9007 OH2 TIP3 2087 -6.027 -8.218 -5.979 1.00 0.00 WT1 O ATOM 9008 H1 TIP3 2087 -21.624 -4.578 -8.818 1.00 0.00 WT1 H ATOM 9009 H2 TIP3 2087 -24.822 -6.543 -10.065 1.00 0.00 WT1 H ATOM 9010 OH2 TIP3 2088 -1.666 4.711 3.359 1.00 0.00 WT1 O ATOM 9011 H1 TIP3 2088 -39.791 -6.743 11.007 1.00 0.00 WT1 H ATOM 9012 H2 TIP3 2088 2.703 2.470 16.064 1.00 0.00 WT1 H ATOM 9013 OH2 TIP3 2089 3.689 2.066 -7.008 1.00 0.00 WT1 O ATOM 9014 H1 TIP3 2089 2.749 9.890 -12.259 1.00 0.00 WT1 H ATOM 9015 H2 TIP3 2089 -4.543 -2.176 -5.914 1.00 0.00 WT1 H ATOM 9016 OH2 TIP3 2090 -4.450 -6.756 -2.558 1.00 0.00 WT1 O ATOM 9017 H1 TIP3 2090 24.851 13.666 -6.294 1.00 0.00 WT1 H ATOM 9018 H2 TIP3 2090 -9.369 2.619 17.725 1.00 0.00 WT1 H ATOM 9019 OH2 TIP3 2091 1.371 -7.128 6.447 1.00 0.00 WT1 O ATOM 9020 H1 TIP3 2091 0.551 19.015 -5.033 1.00 0.00 WT1 H ATOM 9021 H2 TIP3 2091 -9.323 -8.466 -11.255 1.00 0.00 WT1 H ATOM 9022 OH2 TIP3 2092 4.072 1.925 3.080 1.00 0.00 WT1 O ATOM 9023 H1 TIP3 2092 1.689 1.499 -1.057 1.00 0.00 WT1 H ATOM 9024 H2 TIP3 2092 -9.352 -0.354 -2.949 1.00 0.00 WT1 H ATOM 9025 OH2 TIP3 2093 -3.651 -4.952 2.723 1.00 0.00 WT1 O ATOM 9026 H1 TIP3 2093 0.145 -10.233 -5.928 1.00 0.00 WT1 H ATOM 9027 H2 TIP3 2093 -6.123 0.668 24.100 1.00 0.00 WT1 H ATOM 9028 OH2 TIP3 2094 2.289 -4.421 3.794 1.00 0.00 WT1 O ATOM 9029 H1 TIP3 2094 22.824 -10.471 -4.652 1.00 0.00 WT1 H ATOM 9030 H2 TIP3 2094 8.552 22.019 -6.135 1.00 0.00 WT1 H ATOM 9031 OH2 TIP3 2095 -5.222 -1.233 2.612 1.00 0.00 WT1 O ATOM 9032 H1 TIP3 2095 -9.302 -36.136 -6.659 1.00 0.00 WT1 H ATOM 9033 H2 TIP3 2095 -8.105 13.317 2.171 1.00 0.00 WT1 H ATOM 9034 OH2 TIP3 2096 -3.096 2.330 0.208 1.00 0.00 WT1 O ATOM 9035 H1 TIP3 2096 1.583 9.553 2.123 1.00 0.00 WT1 H ATOM 9036 H2 TIP3 2096 -1.449 -9.502 9.677 1.00 0.00 WT1 H ATOM 9037 OH2 TIP3 2098 -0.326 1.492 2.281 1.00 0.00 WT1 O ATOM 9038 H1 TIP3 2098 -4.787 -6.717 0.665 1.00 0.00 WT1 H ATOM 9039 H2 TIP3 2098 -4.731 -0.778 -12.629 1.00 0.00 WT1 H ATOM 9040 OH2 TIP3 2100 0.348 3.266 1.058 1.00 0.00 WT1 O ATOM 9041 H1 TIP3 2100 -15.882 6.401 -19.388 1.00 0.00 WT1 H ATOM 9042 H2 TIP3 2100 4.856 20.256 -3.808 1.00 0.00 WT1 H ATOM 9043 OH2 TIP3 2102 -0.065 0.218 -1.775 1.00 0.00 WT1 O ATOM 9044 H1 TIP3 2102 -6.539 -18.211 2.636 1.00 0.00 WT1 H ATOM 9045 H2 TIP3 2102 -1.890 -6.644 -0.478 1.00 0.00 WT1 H ATOM 9046 OH2 TIP3 2103 1.177 3.561 2.954 1.00 0.00 WT1 O ATOM 9047 H1 TIP3 2103 -1.545 -0.086 6.001 1.00 0.00 WT1 H ATOM 9048 H2 TIP3 2103 -10.688 6.660 -8.336 1.00 0.00 WT1 H ATOM 9049 OH2 TIP3 2104 -0.691 5.958 -0.184 1.00 0.00 WT1 O ATOM 9050 H1 TIP3 2104 3.949 -6.865 -7.981 1.00 0.00 WT1 H ATOM 9051 H2 TIP3 2104 1.249 3.127 -10.841 1.00 0.00 WT1 H ATOM 9052 OH2 TIP3 2105 4.729 9.018 -1.843 1.00 0.00 WT1 O ATOM 9053 H1 TIP3 2105 5.735 1.408 21.404 1.00 0.00 WT1 H ATOM 9054 H2 TIP3 2105 4.981 -3.047 -7.188 1.00 0.00 WT1 H ATOM 9055 OH2 TIP3 2106 -0.142 0.876 8.009 1.00 0.00 WT1 O ATOM 9056 H1 TIP3 2106 -6.261 -0.883 10.369 1.00 0.00 WT1 H ATOM 9057 H2 TIP3 2106 -1.737 4.357 16.530 1.00 0.00 WT1 H ATOM 9058 OH2 TIP3 2107 -5.372 2.302 -7.569 1.00 0.00 WT1 O ATOM 9059 H1 TIP3 2107 9.555 7.185 -9.250 1.00 0.00 WT1 H ATOM 9060 H2 TIP3 2107 -2.013 16.972 -2.750 1.00 0.00 WT1 H ATOM 9061 OH2 TIP3 2108 -3.792 2.464 -3.790 1.00 0.00 WT1 O ATOM 9062 H1 TIP3 2108 -0.045 -26.711 11.290 1.00 0.00 WT1 H ATOM 9063 H2 TIP3 2108 21.686 -5.051 9.608 1.00 0.00 WT1 H ATOM 9064 OH2 TIP3 2109 0.799 -0.208 -5.749 1.00 0.00 WT1 O ATOM 9065 H1 TIP3 2109 -3.112 8.783 -7.929 1.00 0.00 WT1 H ATOM 9066 H2 TIP3 2109 -0.698 -0.708 -7.410 1.00 0.00 WT1 H ATOM 9067 OH2 TIP3 2110 0.747 -5.780 0.389 1.00 0.00 WT1 O ATOM 9068 H1 TIP3 2110 7.525 -7.155 1.431 1.00 0.00 WT1 H ATOM 9069 H2 TIP3 2110 -3.535 -5.674 1.864 1.00 0.00 WT1 H ATOM 9070 OH2 TIP3 2112 6.566 -1.152 -1.260 1.00 0.00 WT1 O ATOM 9071 H1 TIP3 2112 14.706 -0.640 -6.093 1.00 0.00 WT1 H ATOM 9072 H2 TIP3 2112 3.745 -2.175 -0.178 1.00 0.00 WT1 H ATOM 9073 OH2 TIP3 2113 0.565 1.253 4.633 1.00 0.00 WT1 O ATOM 9074 H1 TIP3 2113 -4.291 -29.947 0.811 1.00 0.00 WT1 H ATOM 9075 H2 TIP3 2113 21.474 -4.587 8.049 1.00 0.00 WT1 H ATOM 9076 OH2 TIP3 2114 -3.106 -6.347 1.417 1.00 0.00 WT1 O ATOM 9077 H1 TIP3 2114 -5.340 -1.348 -20.481 1.00 0.00 WT1 H ATOM 9078 H2 TIP3 2114 -0.005 -9.940 18.469 1.00 0.00 WT1 H ATOM 9079 OH2 TIP3 2115 -4.193 1.896 2.151 1.00 0.00 WT1 O ATOM 9080 H1 TIP3 2115 -12.124 -5.871 2.019 1.00 0.00 WT1 H ATOM 9081 H2 TIP3 2115 -5.653 9.077 11.632 1.00 0.00 WT1 H ATOM 9082 OH2 TIP3 2116 4.886 -1.596 -0.833 1.00 0.00 WT1 O ATOM 9083 H1 TIP3 2116 0.245 1.636 10.583 1.00 0.00 WT1 H ATOM 9084 H2 TIP3 2116 26.936 -9.489 3.799 1.00 0.00 WT1 H ATOM 9085 OH2 TIP3 2117 -1.203 -5.332 -0.432 1.00 0.00 WT1 O ATOM 9086 H1 TIP3 2117 -0.491 -0.303 19.867 1.00 0.00 WT1 H ATOM 9087 H2 TIP3 2117 -9.352 -0.112 -1.384 1.00 0.00 WT1 H ATOM 9088 OH2 TIP3 2118 -6.015 0.601 -0.926 1.00 0.00 WT1 O ATOM 9089 H1 TIP3 2118 -2.907 10.434 -4.923 1.00 0.00 WT1 H ATOM 9090 H2 TIP3 2118 0.974 -1.242 2.331 1.00 0.00 WT1 H ATOM 9091 OH2 TIP3 2119 -1.837 -3.982 -0.439 1.00 0.00 WT1 O ATOM 9092 H1 TIP3 2119 -43.876 -32.249 18.545 1.00 0.00 WT1 H ATOM 9093 H2 TIP3 2119 1.458 -31.402 6.852 1.00 0.00 WT1 H ATOM 9094 OH2 TIP3 2120 2.934 1.558 -0.226 1.00 0.00 WT1 O ATOM 9095 H1 TIP3 2120 -5.606 10.888 18.517 1.00 0.00 WT1 H ATOM 9096 H2 TIP3 2120 1.287 3.012 2.209 1.00 0.00 WT1 H ATOM 9097 OH2 TIP3 2121 7.173 3.596 -1.619 1.00 0.00 WT1 O ATOM 9098 H1 TIP3 2121 -0.337 7.799 2.149 1.00 0.00 WT1 H ATOM 9099 H2 TIP3 2121 4.050 -14.247 12.249 1.00 0.00 WT1 H ATOM 9100 OH2 TIP3 2122 -1.821 -1.773 -1.447 1.00 0.00 WT1 O ATOM 9101 H1 TIP3 2122 -15.980 19.143 4.323 1.00 0.00 WT1 H ATOM 9102 H2 TIP3 2122 15.566 1.298 -10.341 1.00 0.00 WT1 H ATOM 9103 OH2 TIP3 2123 1.798 -2.952 -5.068 1.00 0.00 WT1 O ATOM 9104 H1 TIP3 2123 19.377 -8.938 -0.632 1.00 0.00 WT1 H ATOM 9105 H2 TIP3 2123 -2.614 -16.990 -14.343 1.00 0.00 WT1 H ATOM 9106 OH2 TIP3 2124 2.975 6.879 1.106 1.00 0.00 WT1 O ATOM 9107 H1 TIP3 2124 -24.342 5.353 6.403 1.00 0.00 WT1 H ATOM 9108 H2 TIP3 2124 -19.657 4.389 -11.956 1.00 0.00 WT1 H ATOM 9109 OH2 TIP3 2125 -3.624 -2.225 -5.422 1.00 0.00 WT1 O ATOM 9110 H1 TIP3 2125 -19.704 -7.464 14.155 1.00 0.00 WT1 H ATOM 9111 H2 TIP3 2125 43.962 9.556 -12.677 1.00 0.00 WT1 H ATOM 9112 OH2 TIP3 2126 -4.274 -9.126 2.025 1.00 0.00 WT1 O ATOM 9113 H1 TIP3 2126 -14.084 7.859 -2.976 1.00 0.00 WT1 H ATOM 9114 H2 TIP3 2126 -16.748 12.538 -8.544 1.00 0.00 WT1 H ATOM 9115 OH2 TIP3 2127 3.840 4.407 6.892 1.00 0.00 WT1 O ATOM 9116 H1 TIP3 2127 -15.667 4.822 18.632 1.00 0.00 WT1 H ATOM 9117 H2 TIP3 2127 33.425 4.455 -15.100 1.00 0.00 WT1 H ATOM 9118 OH2 TIP3 2128 -4.144 10.110 -1.763 1.00 0.00 WT1 O ATOM 9119 H1 TIP3 2128 -4.640 -1.437 -12.702 1.00 0.00 WT1 H ATOM 9120 H2 TIP3 2128 -11.183 23.196 0.412 1.00 0.00 WT1 H ATOM 9121 OH2 TIP3 2129 0.378 2.133 -1.364 1.00 0.00 WT1 O ATOM 9122 H1 TIP3 2129 0.687 2.086 0.536 1.00 0.00 WT1 H ATOM 9123 H2 TIP3 2129 -1.255 -16.145 31.480 1.00 0.00 WT1 H ATOM 9124 OH2 TIP3 2130 0.301 0.262 0.401 1.00 0.00 WT1 O ATOM 9125 H1 TIP3 2130 3.957 -2.664 -4.520 1.00 0.00 WT1 H ATOM 9126 H2 TIP3 2130 5.905 -2.297 -5.802 1.00 0.00 WT1 H ATOM 9127 OH2 TIP3 2131 2.068 0.220 1.190 1.00 0.00 WT1 O ATOM 9128 H1 TIP3 2131 -16.079 17.347 -5.230 1.00 0.00 WT1 H ATOM 9129 H2 TIP3 2131 18.403 15.973 -0.157 1.00 0.00 WT1 H ATOM 9130 OH2 TIP3 2132 4.179 -1.171 -1.793 1.00 0.00 WT1 O ATOM 9131 H1 TIP3 2132 5.099 14.586 -28.618 1.00 0.00 WT1 H ATOM 9132 H2 TIP3 2132 -20.921 7.588 8.857 1.00 0.00 WT1 H ATOM 9133 OH2 TIP3 2133 -1.883 -3.373 -4.252 1.00 0.00 WT1 O ATOM 9134 H1 TIP3 2133 4.068 -9.091 2.943 1.00 0.00 WT1 H ATOM 9135 H2 TIP3 2133 7.737 8.398 -6.516 1.00 0.00 WT1 H ATOM 9136 OH2 TIP3 2134 0.808 3.991 -1.163 1.00 0.00 WT1 O ATOM 9137 H1 TIP3 2134 -4.320 3.056 -17.368 1.00 0.00 WT1 H ATOM 9138 H2 TIP3 2134 3.324 21.843 -1.023 1.00 0.00 WT1 H ATOM 9139 OH2 TIP3 2135 5.300 -5.494 0.941 1.00 0.00 WT1 O ATOM 9140 H1 TIP3 2135 2.700 -2.247 -4.535 1.00 0.00 WT1 H ATOM 9141 H2 TIP3 2135 10.330 -8.079 23.675 1.00 0.00 WT1 H ATOM 9142 OH2 TIP3 2136 1.192 -3.564 -0.099 1.00 0.00 WT1 O ATOM 9143 H1 TIP3 2136 -2.217 -15.489 4.242 1.00 0.00 WT1 H ATOM 9144 H2 TIP3 2136 0.763 -1.639 7.181 1.00 0.00 WT1 H ATOM 9145 OH2 TIP3 2137 4.530 3.452 -4.477 1.00 0.00 WT1 O ATOM 9146 H1 TIP3 2137 9.870 11.867 13.950 1.00 0.00 WT1 H ATOM 9147 H2 TIP3 2137 0.512 -22.276 17.582 1.00 0.00 WT1 H ATOM 9148 OH2 TIP3 2138 7.208 2.387 4.700 1.00 0.00 WT1 O ATOM 9149 H1 TIP3 2138 5.196 5.075 7.496 1.00 0.00 WT1 H ATOM 9150 H2 TIP3 2138 4.735 10.746 13.716 1.00 0.00 WT1 H ATOM 9151 OH2 TIP3 2139 -3.426 -2.232 -2.475 1.00 0.00 WT1 O ATOM 9152 H1 TIP3 2139 -17.151 4.902 -11.520 1.00 0.00 WT1 H ATOM 9153 H2 TIP3 2139 -1.215 -9.394 -11.903 1.00 0.00 WT1 H ATOM 9154 OH2 TIP3 2140 -2.587 1.372 -3.802 1.00 0.00 WT1 O ATOM 9155 H1 TIP3 2140 -6.640 4.276 13.396 1.00 0.00 WT1 H ATOM 9156 H2 TIP3 2140 3.731 -0.985 10.484 1.00 0.00 WT1 H ATOM 9157 OH2 TIP3 2141 0.597 -2.269 -3.198 1.00 0.00 WT1 O ATOM 9158 H1 TIP3 2141 20.878 4.920 -18.656 1.00 0.00 WT1 H ATOM 9159 H2 TIP3 2141 -0.104 -6.947 -1.888 1.00 0.00 WT1 H ATOM 9160 OH2 TIP3 2143 -1.970 -1.388 -2.988 1.00 0.00 WT1 O ATOM 9161 H1 TIP3 2143 1.813 9.050 14.927 1.00 0.00 WT1 H ATOM 9162 H2 TIP3 2143 -4.692 23.666 8.425 1.00 0.00 WT1 H ATOM 9163 OH2 TIP3 2144 -2.278 1.961 -1.521 1.00 0.00 WT1 O ATOM 9164 H1 TIP3 2144 -16.630 0.068 0.740 1.00 0.00 WT1 H ATOM 9165 H2 TIP3 2144 1.247 10.359 -11.150 1.00 0.00 WT1 H ATOM 9166 OH2 TIP3 2145 1.434 1.082 -1.000 1.00 0.00 WT1 O ATOM 9167 H1 TIP3 2145 7.885 8.171 14.702 1.00 0.00 WT1 H ATOM 9168 H2 TIP3 2145 -6.893 12.535 -9.603 1.00 0.00 WT1 H ATOM 9169 OH2 TIP3 2146 -6.403 -3.117 5.960 1.00 0.00 WT1 O ATOM 9170 H1 TIP3 2146 7.901 20.273 7.929 1.00 0.00 WT1 H ATOM 9171 H2 TIP3 2146 -26.427 0.358 -9.757 1.00 0.00 WT1 H ATOM 9172 OH2 TIP3 2147 -8.003 2.428 0.606 1.00 0.00 WT1 O ATOM 9173 H1 TIP3 2147 -4.966 6.090 9.141 1.00 0.00 WT1 H ATOM 9174 H2 TIP3 2147 -12.494 -8.228 -16.091 1.00 0.00 WT1 H ATOM 9175 OH2 TIP3 2148 -6.143 -0.028 2.907 1.00 0.00 WT1 O ATOM 9176 H1 TIP3 2148 -6.343 -17.666 3.623 1.00 0.00 WT1 H ATOM 9177 H2 TIP3 2148 1.483 31.884 2.139 1.00 0.00 WT1 H ATOM 9178 OH2 TIP3 2149 -0.851 0.789 5.532 1.00 0.00 WT1 O ATOM 9179 H1 TIP3 2149 -1.173 0.266 8.412 1.00 0.00 WT1 H ATOM 9180 H2 TIP3 2149 0.208 -0.811 13.569 1.00 0.00 WT1 H ATOM 9181 OH2 TIP3 2150 -3.494 -2.244 -1.476 1.00 0.00 WT1 O ATOM 9182 H1 TIP3 2150 30.106 -8.891 1.277 1.00 0.00 WT1 H ATOM 9183 H2 TIP3 2150 -5.643 24.984 5.703 1.00 0.00 WT1 H ATOM 9184 OH2 TIP3 2151 2.007 0.153 0.834 1.00 0.00 WT1 O ATOM 9185 H1 TIP3 2151 5.606 27.559 -13.460 1.00 0.00 WT1 H ATOM 9186 H2 TIP3 2151 -18.433 4.407 0.466 1.00 0.00 WT1 H ATOM 9187 OH2 TIP3 2152 0.957 4.319 -2.813 1.00 0.00 WT1 O ATOM 9188 H1 TIP3 2152 -11.778 2.285 -6.787 1.00 0.00 WT1 H ATOM 9189 H2 TIP3 2152 22.579 8.394 9.496 1.00 0.00 WT1 H ATOM 9190 OH2 TIP3 2153 -9.293 -2.855 -8.747 1.00 0.00 WT1 O ATOM 9191 H1 TIP3 2153 3.314 -21.046 -10.550 1.00 0.00 WT1 H ATOM 9192 H2 TIP3 2153 -13.589 2.634 -6.998 1.00 0.00 WT1 H ATOM 9193 OH2 TIP3 2154 -4.548 5.750 5.292 1.00 0.00 WT1 O ATOM 9194 H1 TIP3 2154 -10.065 -2.993 -4.465 1.00 0.00 WT1 H ATOM 9195 H2 TIP3 2154 17.591 -16.371 -0.664 1.00 0.00 WT1 H ATOM 9196 OH2 TIP3 2155 -5.515 -1.651 2.594 1.00 0.00 WT1 O ATOM 9197 H1 TIP3 2155 3.065 -3.420 5.420 1.00 0.00 WT1 H ATOM 9198 H2 TIP3 2155 -14.060 8.458 14.466 1.00 0.00 WT1 H ATOM 9199 OH2 TIP3 2156 6.392 -2.728 -1.507 1.00 0.00 WT1 O ATOM 9200 H1 TIP3 2156 21.639 -16.106 11.963 1.00 0.00 WT1 H ATOM 9201 H2 TIP3 2156 -2.733 4.514 -16.206 1.00 0.00 WT1 H ATOM 9202 OH2 TIP3 2157 -1.229 -0.030 2.558 1.00 0.00 WT1 O ATOM 9203 H1 TIP3 2157 -6.327 15.042 -10.784 1.00 0.00 WT1 H ATOM 9204 H2 TIP3 2157 3.781 -2.717 -27.649 1.00 0.00 WT1 H ATOM 9205 OH2 TIP3 2158 -2.540 -5.779 -3.166 1.00 0.00 WT1 O ATOM 9206 H1 TIP3 2158 -19.431 7.994 0.140 1.00 0.00 WT1 H ATOM 9207 H2 TIP3 2158 8.706 -3.445 0.701 1.00 0.00 WT1 H ATOM 9208 OH2 TIP3 2160 0.097 5.094 1.044 1.00 0.00 WT1 O ATOM 9209 H1 TIP3 2160 -10.792 0.540 -24.801 1.00 0.00 WT1 H ATOM 9210 H2 TIP3 2160 2.621 4.417 7.174 1.00 0.00 WT1 H ATOM 9211 OH2 TIP3 2161 -3.117 -2.234 0.232 1.00 0.00 WT1 O ATOM 9212 H1 TIP3 2161 1.334 20.777 -22.610 1.00 0.00 WT1 H ATOM 9213 H2 TIP3 2161 -5.273 0.724 -0.825 1.00 0.00 WT1 H ATOM 9214 OH2 TIP3 2162 5.051 -2.901 1.715 1.00 0.00 WT1 O ATOM 9215 H1 TIP3 2162 8.091 -1.182 7.840 1.00 0.00 WT1 H ATOM 9216 H2 TIP3 2162 11.963 -5.074 -0.553 1.00 0.00 WT1 H ATOM 9217 OH2 TIP3 2163 -5.734 5.934 4.976 1.00 0.00 WT1 O ATOM 9218 H1 TIP3 2163 -4.794 -17.696 29.875 1.00 0.00 WT1 H ATOM 9219 H2 TIP3 2163 -11.836 -27.018 6.000 1.00 0.00 WT1 H ATOM 9220 OH2 TIP3 2165 -2.249 0.121 2.733 1.00 0.00 WT1 O ATOM 9221 H1 TIP3 2165 -2.717 1.470 -8.364 1.00 0.00 WT1 H ATOM 9222 H2 TIP3 2165 -9.201 -3.946 11.515 1.00 0.00 WT1 H ATOM 9223 OH2 TIP3 2166 1.222 3.323 -0.866 1.00 0.00 WT1 O ATOM 9224 H1 TIP3 2166 22.845 2.023 8.923 1.00 0.00 WT1 H ATOM 9225 H2 TIP3 2166 -7.681 6.605 9.047 1.00 0.00 WT1 H ATOM 9226 OH2 TIP3 2167 -2.803 -3.552 1.095 1.00 0.00 WT1 O ATOM 9227 H1 TIP3 2167 -2.175 -9.947 12.535 1.00 0.00 WT1 H ATOM 9228 H2 TIP3 2167 -3.276 -10.567 12.646 1.00 0.00 WT1 H ATOM 9229 OH2 TIP3 2168 1.504 3.974 -1.937 1.00 0.00 WT1 O ATOM 9230 H1 TIP3 2168 2.253 -3.150 -0.090 1.00 0.00 WT1 H ATOM 9231 H2 TIP3 2168 -3.606 15.477 1.686 1.00 0.00 WT1 H ATOM 9232 OH2 TIP3 2169 -4.750 -0.279 0.496 1.00 0.00 WT1 O ATOM 9233 H1 TIP3 2169 -8.002 -11.236 5.578 1.00 0.00 WT1 H ATOM 9234 H2 TIP3 2169 -13.190 4.904 -2.863 1.00 0.00 WT1 H ATOM 9235 OH2 TIP3 2170 1.545 0.814 -1.983 1.00 0.00 WT1 O ATOM 9236 H1 TIP3 2170 6.785 -0.033 3.149 1.00 0.00 WT1 H ATOM 9237 H2 TIP3 2170 -8.675 6.620 11.077 1.00 0.00 WT1 H ATOM 9238 OH2 TIP3 2171 4.346 -2.537 -1.141 1.00 0.00 WT1 O ATOM 9239 H1 TIP3 2171 -0.943 -26.081 -6.718 1.00 0.00 WT1 H ATOM 9240 H2 TIP3 2171 -6.217 -12.123 -25.814 1.00 0.00 WT1 H ATOM 9241 OH2 TIP3 2172 -5.008 3.373 -4.471 1.00 0.00 WT1 O ATOM 9242 H1 TIP3 2172 -5.802 7.018 1.661 1.00 0.00 WT1 H ATOM 9243 H2 TIP3 2172 2.637 2.426 -6.621 1.00 0.00 WT1 H ATOM 9244 OH2 TIP3 2173 0.432 0.573 -1.490 1.00 0.00 WT1 O ATOM 9245 H1 TIP3 2173 -13.420 -26.472 30.454 1.00 0.00 WT1 H ATOM 9246 H2 TIP3 2173 -26.406 29.737 -0.852 1.00 0.00 WT1 H ATOM 9247 OH2 TIP3 2176 6.067 3.009 13.002 1.00 0.00 WT1 O ATOM 9248 H1 TIP3 2176 -7.968 -2.064 16.924 1.00 0.00 WT1 H ATOM 9249 H2 TIP3 2176 23.717 25.741 24.503 1.00 0.00 WT1 H ATOM 9250 OH2 TIP3 2177 2.245 2.671 5.248 1.00 0.00 WT1 O ATOM 9251 H1 TIP3 2177 15.291 8.547 4.137 1.00 0.00 WT1 H ATOM 9252 H2 TIP3 2177 -2.329 10.414 -18.500 1.00 0.00 WT1 H ATOM 9253 OH2 TIP3 2178 4.045 2.561 -0.421 1.00 0.00 WT1 O ATOM 9254 H1 TIP3 2178 -5.058 5.016 2.037 1.00 0.00 WT1 H ATOM 9255 H2 TIP3 2178 -2.122 7.597 -10.523 1.00 0.00 WT1 H ATOM 9256 OH2 TIP3 2180 3.669 -1.248 -4.541 1.00 0.00 WT1 O ATOM 9257 H1 TIP3 2180 7.825 14.815 1.661 1.00 0.00 WT1 H ATOM 9258 H2 TIP3 2180 3.786 -0.714 -3.344 1.00 0.00 WT1 H ATOM 9259 OH2 TIP3 2181 -0.005 1.332 -5.522 1.00 0.00 WT1 O ATOM 9260 H1 TIP3 2181 -5.180 -8.731 2.119 1.00 0.00 WT1 H ATOM 9261 H2 TIP3 2181 -2.127 5.791 -6.924 1.00 0.00 WT1 H ATOM 9262 OH2 TIP3 2182 -3.240 3.107 5.499 1.00 0.00 WT1 O ATOM 9263 H1 TIP3 2182 -0.918 12.051 -11.312 1.00 0.00 WT1 H ATOM 9264 H2 TIP3 2182 10.712 -17.557 20.635 1.00 0.00 WT1 H ATOM 9265 OH2 TIP3 2183 -4.794 3.379 -2.582 1.00 0.00 WT1 O ATOM 9266 H1 TIP3 2183 0.458 13.307 -6.642 1.00 0.00 WT1 H ATOM 9267 H2 TIP3 2183 -7.884 -2.671 -12.552 1.00 0.00 WT1 H ATOM 9268 OH2 TIP3 2184 6.521 -2.773 -0.043 1.00 0.00 WT1 O ATOM 9269 H1 TIP3 2184 2.281 18.801 -7.421 1.00 0.00 WT1 H ATOM 9270 H2 TIP3 2184 16.291 -6.625 -14.312 1.00 0.00 WT1 H ATOM 9271 OH2 TIP3 2185 -2.374 5.586 1.265 1.00 0.00 WT1 O ATOM 9272 H1 TIP3 2185 10.822 17.638 18.561 1.00 0.00 WT1 H ATOM 9273 H2 TIP3 2185 12.485 0.501 -6.374 1.00 0.00 WT1 H ATOM 9274 OH2 TIP3 2186 -0.425 14.918 -2.631 1.00 0.00 WT1 O ATOM 9275 H1 TIP3 2186 16.641 6.671 -5.317 1.00 0.00 WT1 H ATOM 9276 H2 TIP3 2186 -3.463 17.909 -1.219 1.00 0.00 WT1 H ATOM 9277 OH2 TIP3 2187 -4.423 3.117 -3.295 1.00 0.00 WT1 O ATOM 9278 H1 TIP3 2187 -3.440 3.135 -1.131 1.00 0.00 WT1 H ATOM 9279 H2 TIP3 2187 -22.038 -25.437 1.399 1.00 0.00 WT1 H ATOM 9280 OH2 TIP3 2188 1.204 2.969 -7.226 1.00 0.00 WT1 O ATOM 9281 H1 TIP3 2188 2.426 -18.611 10.387 1.00 0.00 WT1 H ATOM 9282 H2 TIP3 2188 13.356 -10.946 11.703 1.00 0.00 WT1 H ATOM 9283 OH2 TIP3 2189 -0.992 0.642 2.367 1.00 0.00 WT1 O ATOM 9284 H1 TIP3 2189 -5.876 -3.993 8.570 1.00 0.00 WT1 H ATOM 9285 H2 TIP3 2189 2.458 -1.955 16.281 1.00 0.00 WT1 H ATOM 9286 OH2 TIP3 2190 4.081 -4.610 -5.740 1.00 0.00 WT1 O ATOM 9287 H1 TIP3 2190 2.793 -16.193 11.481 1.00 0.00 WT1 H ATOM 9288 H2 TIP3 2190 16.339 7.094 -26.120 1.00 0.00 WT1 H ATOM 9289 OH2 TIP3 2191 8.267 0.315 -0.391 1.00 0.00 WT1 O ATOM 9290 H1 TIP3 2191 -1.156 22.236 2.185 1.00 0.00 WT1 H ATOM 9291 H2 TIP3 2191 -4.808 -15.610 -9.347 1.00 0.00 WT1 H ATOM 9292 OH2 TIP3 2192 1.163 -3.383 -0.608 1.00 0.00 WT1 O ATOM 9293 H1 TIP3 2192 -9.477 1.878 4.652 1.00 0.00 WT1 H ATOM 9294 H2 TIP3 2192 -3.583 3.513 3.742 1.00 0.00 WT1 H ATOM 9295 OH2 TIP3 2193 1.308 -3.633 -3.012 1.00 0.00 WT1 O ATOM 9296 H1 TIP3 2193 2.010 4.235 -6.537 1.00 0.00 WT1 H ATOM 9297 H2 TIP3 2193 18.918 41.026 -16.717 1.00 0.00 WT1 H ATOM 9298 OH2 TIP3 2194 1.248 -1.126 -1.632 1.00 0.00 WT1 O ATOM 9299 H1 TIP3 2194 0.651 6.114 -9.521 1.00 0.00 WT1 H ATOM 9300 H2 TIP3 2194 12.056 13.860 -5.693 1.00 0.00 WT1 H ATOM 9301 OH2 TIP3 2195 3.768 4.500 0.232 1.00 0.00 WT1 O ATOM 9302 H1 TIP3 2195 -11.534 -16.907 -3.738 1.00 0.00 WT1 H ATOM 9303 H2 TIP3 2195 3.873 20.584 7.766 1.00 0.00 WT1 H ATOM 9304 OH2 TIP3 2196 -1.335 -1.385 1.796 1.00 0.00 WT1 O ATOM 9305 H1 TIP3 2196 -2.416 -1.907 2.087 1.00 0.00 WT1 H ATOM 9306 H2 TIP3 2196 3.822 -1.135 1.291 1.00 0.00 WT1 H ATOM 9307 OH2 TIP3 2197 -0.313 -0.713 -2.623 1.00 0.00 WT1 O ATOM 9308 H1 TIP3 2197 -18.367 -19.299 0.296 1.00 0.00 WT1 H ATOM 9309 H2 TIP3 2197 -8.818 18.787 -11.382 1.00 0.00 WT1 H ATOM 9310 OH2 TIP3 2198 -3.296 -1.551 -2.765 1.00 0.00 WT1 O ATOM 9311 H1 TIP3 2198 -3.650 15.501 23.341 1.00 0.00 WT1 H ATOM 9312 H2 TIP3 2198 -5.146 14.525 -8.807 1.00 0.00 WT1 H ATOM 9313 OH2 TIP3 2199 -0.706 -1.279 2.444 1.00 0.00 WT1 O ATOM 9314 H1 TIP3 2199 3.989 -8.165 18.581 1.00 0.00 WT1 H ATOM 9315 H2 TIP3 2199 -10.154 -5.427 -7.710 1.00 0.00 WT1 H ATOM 9316 OH2 TIP3 2200 -2.915 5.030 -4.553 1.00 0.00 WT1 O ATOM 9317 H1 TIP3 2200 16.006 6.752 0.080 1.00 0.00 WT1 H ATOM 9318 H2 TIP3 2200 26.846 -14.295 -5.239 1.00 0.00 WT1 H ATOM 9319 OH2 TIP3 2201 0.856 -3.640 4.083 1.00 0.00 WT1 O ATOM 9320 H1 TIP3 2201 10.962 -7.916 1.265 1.00 0.00 WT1 H ATOM 9321 H2 TIP3 2201 4.369 8.132 2.811 1.00 0.00 WT1 H ATOM 9322 OH2 TIP3 2202 5.330 2.791 -4.651 1.00 0.00 WT1 O ATOM 9323 H1 TIP3 2202 -16.334 7.631 0.870 1.00 0.00 WT1 H ATOM 9324 H2 TIP3 2202 19.348 24.335 21.354 1.00 0.00 WT1 H ATOM 9325 OH2 TIP3 2203 -6.389 -2.529 -0.389 1.00 0.00 WT1 O ATOM 9326 H1 TIP3 2203 10.224 13.238 14.545 1.00 0.00 WT1 H ATOM 9327 H2 TIP3 2203 -7.360 -1.576 11.682 1.00 0.00 WT1 H ATOM 9328 OH2 TIP3 2204 1.484 -0.573 -1.623 1.00 0.00 WT1 O ATOM 9329 H1 TIP3 2204 11.021 4.939 6.432 1.00 0.00 WT1 H ATOM 9330 H2 TIP3 2204 -22.174 -7.134 -26.364 1.00 0.00 WT1 H ATOM 9331 OH2 TIP3 2205 6.120 -5.379 6.366 1.00 0.00 WT1 O ATOM 9332 H1 TIP3 2205 -12.255 4.129 -21.307 1.00 0.00 WT1 H ATOM 9333 H2 TIP3 2205 13.773 -6.354 5.019 1.00 0.00 WT1 H ATOM 9334 OH2 TIP3 2206 7.714 0.582 -3.002 1.00 0.00 WT1 O ATOM 9335 H1 TIP3 2206 -34.484 19.822 -5.917 1.00 0.00 WT1 H ATOM 9336 H2 TIP3 2206 15.158 6.052 -11.442 1.00 0.00 WT1 H ATOM 9337 OH2 TIP3 2207 0.668 2.216 1.396 1.00 0.00 WT1 O ATOM 9338 H1 TIP3 2207 -9.946 -12.554 6.418 1.00 0.00 WT1 H ATOM 9339 H2 TIP3 2207 -0.154 -0.058 2.188 1.00 0.00 WT1 H ATOM 9340 OH2 TIP3 2208 0.039 8.544 5.432 1.00 0.00 WT1 O ATOM 9341 H1 TIP3 2208 3.287 9.051 5.399 1.00 0.00 WT1 H ATOM 9342 H2 TIP3 2208 4.974 9.986 8.258 1.00 0.00 WT1 H ATOM 9343 OH2 TIP3 2209 3.146 -4.367 0.705 1.00 0.00 WT1 O ATOM 9344 H1 TIP3 2209 5.360 8.072 -3.101 1.00 0.00 WT1 H ATOM 9345 H2 TIP3 2209 0.812 -7.076 8.483 1.00 0.00 WT1 H ATOM 9346 OH2 TIP3 2210 0.293 -2.732 5.737 1.00 0.00 WT1 O ATOM 9347 H1 TIP3 2210 5.066 -3.021 4.914 1.00 0.00 WT1 H ATOM 9348 H2 TIP3 2210 9.775 -25.650 -7.526 1.00 0.00 WT1 H ATOM 9349 OH2 TIP3 2211 -1.618 -6.595 1.831 1.00 0.00 WT1 O ATOM 9350 H1 TIP3 2211 8.237 3.232 -0.819 1.00 0.00 WT1 H ATOM 9351 H2 TIP3 2211 -4.943 -1.863 15.678 1.00 0.00 WT1 H ATOM 9352 OH2 TIP3 2213 1.839 -0.669 2.286 1.00 0.00 WT1 O ATOM 9353 H1 TIP3 2213 -12.137 -29.913 -0.507 1.00 0.00 WT1 H ATOM 9354 H2 TIP3 2213 -6.114 -15.636 1.911 1.00 0.00 WT1 H ATOM 9355 OH2 TIP3 2214 -4.972 -1.431 1.596 1.00 0.00 WT1 O ATOM 9356 H1 TIP3 2214 -11.120 -7.394 2.810 1.00 0.00 WT1 H ATOM 9357 H2 TIP3 2214 0.450 7.374 1.554 1.00 0.00 WT1 H ATOM 9358 OH2 TIP3 2215 4.880 -2.513 -1.986 1.00 0.00 WT1 O ATOM 9359 H1 TIP3 2215 4.373 0.116 4.763 1.00 0.00 WT1 H ATOM 9360 H2 TIP3 2215 -25.788 7.408 -12.784 1.00 0.00 WT1 H ATOM 9361 OH2 TIP3 2216 -2.113 0.036 -6.308 1.00 0.00 WT1 O ATOM 9362 H1 TIP3 2216 -15.465 22.700 -5.078 1.00 0.00 WT1 H ATOM 9363 H2 TIP3 2216 8.194 2.249 18.775 1.00 0.00 WT1 H ATOM 9364 OH2 TIP3 2217 5.666 2.331 0.898 1.00 0.00 WT1 O ATOM 9365 H1 TIP3 2217 15.485 -11.144 3.366 1.00 0.00 WT1 H ATOM 9366 H2 TIP3 2217 -1.290 32.508 3.841 1.00 0.00 WT1 H ATOM 9367 OH2 TIP3 2218 2.779 -8.217 1.123 1.00 0.00 WT1 O ATOM 9368 H1 TIP3 2218 7.575 -5.197 28.711 1.00 0.00 WT1 H ATOM 9369 H2 TIP3 2218 -22.876 -26.542 8.329 1.00 0.00 WT1 H ATOM 9370 OH2 TIP3 2219 6.169 3.432 -3.745 1.00 0.00 WT1 O ATOM 9371 H1 TIP3 2219 -1.212 -2.854 3.057 1.00 0.00 WT1 H ATOM 9372 H2 TIP3 2219 9.701 14.126 -15.954 1.00 0.00 WT1 H ATOM 9373 OH2 TIP3 2220 1.711 -3.651 -0.123 1.00 0.00 WT1 O ATOM 9374 H1 TIP3 2220 -8.924 -9.814 2.008 1.00 0.00 WT1 H ATOM 9375 H2 TIP3 2220 -7.028 -11.547 0.900 1.00 0.00 WT1 H ATOM 9376 OH2 TIP3 2221 -3.697 -3.664 -5.752 1.00 0.00 WT1 O ATOM 9377 H1 TIP3 2221 4.884 -4.709 -3.928 1.00 0.00 WT1 H ATOM 9378 H2 TIP3 2221 -4.683 -0.161 -1.044 1.00 0.00 WT1 H ATOM 9379 OH2 TIP3 2223 -0.348 -5.071 1.174 1.00 0.00 WT1 O ATOM 9380 H1 TIP3 2223 -9.719 7.068 -12.005 1.00 0.00 WT1 H ATOM 9381 H2 TIP3 2223 13.776 -8.213 0.062 1.00 0.00 WT1 H ATOM 9382 OH2 TIP3 2224 3.194 2.503 1.985 1.00 0.00 WT1 O ATOM 9383 H1 TIP3 2224 5.451 -4.006 25.830 1.00 0.00 WT1 H ATOM 9384 H2 TIP3 2224 -18.287 17.038 10.638 1.00 0.00 WT1 H ATOM 9385 OH2 TIP3 2225 -3.316 -2.013 1.716 1.00 0.00 WT1 O ATOM 9386 H1 TIP3 2225 9.745 1.753 1.424 1.00 0.00 WT1 H ATOM 9387 H2 TIP3 2225 2.378 6.708 5.223 1.00 0.00 WT1 H ATOM 9388 OH2 TIP3 2226 -4.477 1.417 1.918 1.00 0.00 WT1 O ATOM 9389 H1 TIP3 2226 7.056 1.004 9.127 1.00 0.00 WT1 H ATOM 9390 H2 TIP3 2226 26.878 -1.444 28.169 1.00 0.00 WT1 H ATOM 9391 OH2 TIP3 2227 -1.284 4.096 -1.340 1.00 0.00 WT1 O ATOM 9392 H1 TIP3 2227 -4.303 0.416 -2.715 1.00 0.00 WT1 H ATOM 9393 H2 TIP3 2227 0.227 5.640 1.670 1.00 0.00 WT1 H ATOM 9394 OH2 TIP3 2228 0.610 -0.708 -0.248 1.00 0.00 WT1 O ATOM 9395 H1 TIP3 2228 -6.043 -16.174 5.563 1.00 0.00 WT1 H ATOM 9396 H2 TIP3 2228 -0.691 -5.670 -11.979 1.00 0.00 WT1 H ATOM 9397 OH2 TIP3 2229 -1.728 -2.662 -5.408 1.00 0.00 WT1 O ATOM 9398 H1 TIP3 2229 -4.963 -2.173 -12.022 1.00 0.00 WT1 H ATOM 9399 H2 TIP3 2229 12.586 -7.479 9.667 1.00 0.00 WT1 H ATOM 9400 OH2 TIP3 2231 -0.917 4.921 2.093 1.00 0.00 WT1 O ATOM 9401 H1 TIP3 2231 -14.907 30.207 10.807 1.00 0.00 WT1 H ATOM 9402 H2 TIP3 2231 -19.883 13.091 -1.487 1.00 0.00 WT1 H ATOM 9403 OH2 TIP3 2232 -4.031 -9.938 1.920 1.00 0.00 WT1 O ATOM 9404 H1 TIP3 2232 23.044 -12.369 17.937 1.00 0.00 WT1 H ATOM 9405 H2 TIP3 2232 -1.910 -12.120 1.209 1.00 0.00 WT1 H ATOM 9406 OH2 TIP3 2233 3.961 -3.469 7.133 1.00 0.00 WT1 O ATOM 9407 H1 TIP3 2233 -13.091 -8.041 -3.627 1.00 0.00 WT1 H ATOM 9408 H2 TIP3 2233 5.599 -18.043 21.227 1.00 0.00 WT1 H ATOM 9409 OH2 TIP3 2234 -3.349 4.848 0.975 1.00 0.00 WT1 O ATOM 9410 H1 TIP3 2234 3.179 -2.298 0.032 1.00 0.00 WT1 H ATOM 9411 H2 TIP3 2234 -4.361 8.620 15.667 1.00 0.00 WT1 H ATOM 9412 OH2 TIP3 2235 -4.688 2.982 2.628 1.00 0.00 WT1 O ATOM 9413 H1 TIP3 2235 -4.726 11.572 16.432 1.00 0.00 WT1 H ATOM 9414 H2 TIP3 2235 -16.958 -2.643 1.909 1.00 0.00 WT1 H ATOM 9415 OH2 TIP3 2236 1.421 4.630 -0.743 1.00 0.00 WT1 O ATOM 9416 H1 TIP3 2236 2.714 9.338 -29.268 1.00 0.00 WT1 H ATOM 9417 H2 TIP3 2236 -12.917 -11.452 3.475 1.00 0.00 WT1 H ATOM 9418 OH2 TIP3 2237 7.960 -4.440 -0.280 1.00 0.00 WT1 O ATOM 9419 H1 TIP3 2237 22.805 -5.140 -4.073 1.00 0.00 WT1 H ATOM 9420 H2 TIP3 2237 -10.205 -7.485 -21.198 1.00 0.00 WT1 H ATOM 9421 OH2 TIP3 2238 -3.831 -0.964 3.429 1.00 0.00 WT1 O ATOM 9422 H1 TIP3 2238 -15.884 10.075 -16.968 1.00 0.00 WT1 H ATOM 9423 H2 TIP3 2238 -29.298 25.157 -46.611 1.00 0.00 WT1 H ATOM 9424 OH2 TIP3 2240 0.454 2.493 -2.252 1.00 0.00 WT1 O ATOM 9425 H1 TIP3 2240 1.685 3.722 2.348 1.00 0.00 WT1 H ATOM 9426 H2 TIP3 2240 -10.287 9.891 -9.317 1.00 0.00 WT1 H ATOM 9427 OH2 TIP3 2241 -4.430 1.513 2.776 1.00 0.00 WT1 O ATOM 9428 H1 TIP3 2241 -7.430 0.701 8.827 1.00 0.00 WT1 H ATOM 9429 H2 TIP3 2241 -9.063 -16.405 24.813 1.00 0.00 WT1 H ATOM 9430 OH2 TIP3 2242 4.824 -0.020 -3.233 1.00 0.00 WT1 O ATOM 9431 H1 TIP3 2242 10.531 0.585 7.023 1.00 0.00 WT1 H ATOM 9432 H2 TIP3 2242 12.369 -0.475 10.993 1.00 0.00 WT1 H ATOM 9433 OH2 TIP3 2243 -2.647 -2.162 3.871 1.00 0.00 WT1 O ATOM 9434 H1 TIP3 2243 6.085 -18.678 -2.468 1.00 0.00 WT1 H ATOM 9435 H2 TIP3 2243 -3.840 4.922 -1.228 1.00 0.00 WT1 H ATOM 9436 OH2 TIP3 2244 5.378 6.469 0.859 1.00 0.00 WT1 O ATOM 9437 H1 TIP3 2244 -17.102 -2.594 -8.512 1.00 0.00 WT1 H ATOM 9438 H2 TIP3 2244 -20.992 0.683 4.679 1.00 0.00 WT1 H ATOM 9439 OH2 TIP3 2245 -1.632 -1.777 5.416 1.00 0.00 WT1 O ATOM 9440 H1 TIP3 2245 -8.332 0.924 6.490 1.00 0.00 WT1 H ATOM 9441 H2 TIP3 2245 -3.493 5.488 5.165 1.00 0.00 WT1 H ATOM 9442 OH2 TIP3 2246 -0.447 2.640 1.439 1.00 0.00 WT1 O ATOM 9443 H1 TIP3 2246 -10.460 -20.964 -32.929 1.00 0.00 WT1 H ATOM 9444 H2 TIP3 2246 10.171 -1.130 5.799 1.00 0.00 WT1 H ATOM 9445 OH2 TIP3 2247 -2.173 -0.353 4.646 1.00 0.00 WT1 O ATOM 9446 H1 TIP3 2247 -9.640 -16.920 3.999 1.00 0.00 WT1 H ATOM 9447 H2 TIP3 2247 24.136 32.036 10.705 1.00 0.00 WT1 H ATOM 9448 OH2 TIP3 2248 -1.996 1.995 1.537 1.00 0.00 WT1 O ATOM 9449 H1 TIP3 2248 -6.988 9.892 0.002 1.00 0.00 WT1 H ATOM 9450 H2 TIP3 2248 3.156 -13.451 -1.962 1.00 0.00 WT1 H ATOM 9451 OH2 TIP3 2249 -8.819 7.381 0.025 1.00 0.00 WT1 O ATOM 9452 H1 TIP3 2249 15.805 -9.830 13.321 1.00 0.00 WT1 H ATOM 9453 H2 TIP3 2249 -31.090 8.655 -6.062 1.00 0.00 WT1 H ATOM 9454 OH2 TIP3 2250 1.647 -5.766 4.409 1.00 0.00 WT1 O ATOM 9455 H1 TIP3 2250 -2.124 -5.731 -2.889 1.00 0.00 WT1 H ATOM 9456 H2 TIP3 2250 9.945 -4.490 2.716 1.00 0.00 WT1 H ATOM 9457 OH2 TIP3 2251 3.070 1.613 2.210 1.00 0.00 WT1 O ATOM 9458 H1 TIP3 2251 -28.673 -6.040 12.943 1.00 0.00 WT1 H ATOM 9459 H2 TIP3 2251 15.908 8.945 -4.114 1.00 0.00 WT1 H ATOM 9460 OH2 TIP3 2252 2.387 -5.417 0.634 1.00 0.00 WT1 O ATOM 9461 H1 TIP3 2252 0.833 -4.996 4.109 1.00 0.00 WT1 H ATOM 9462 H2 TIP3 2252 -9.577 -7.069 -3.059 1.00 0.00 WT1 H ATOM 9463 OH2 TIP3 2253 -2.138 0.897 -1.307 1.00 0.00 WT1 O ATOM 9464 H1 TIP3 2253 7.580 5.423 22.849 1.00 0.00 WT1 H ATOM 9465 H2 TIP3 2253 -29.729 0.152 16.169 1.00 0.00 WT1 H ATOM 9466 OH2 TIP3 2254 9.327 0.493 1.332 1.00 0.00 WT1 O ATOM 9467 H1 TIP3 2254 6.620 -13.213 -14.264 1.00 0.00 WT1 H ATOM 9468 H2 TIP3 2254 8.388 5.850 12.283 1.00 0.00 WT1 H ATOM 9469 OH2 TIP3 2255 7.036 -2.108 -5.857 1.00 0.00 WT1 O ATOM 9470 H1 TIP3 2255 6.343 4.881 6.278 1.00 0.00 WT1 H ATOM 9471 H2 TIP3 2255 -6.141 -8.785 -6.477 1.00 0.00 WT1 H ATOM 9472 OH2 TIP3 2256 3.289 0.637 1.790 1.00 0.00 WT1 O ATOM 9473 H1 TIP3 2256 -5.286 -8.051 -0.029 1.00 0.00 WT1 H ATOM 9474 H2 TIP3 2256 -5.825 -6.435 1.075 1.00 0.00 WT1 H ATOM 9475 OH2 TIP3 2257 2.343 -3.360 1.183 1.00 0.00 WT1 O ATOM 9476 H1 TIP3 2257 0.422 -9.346 1.098 1.00 0.00 WT1 H ATOM 9477 H2 TIP3 2257 -23.380 -23.441 3.448 1.00 0.00 WT1 H ATOM 9478 OH2 TIP3 2258 -0.500 -1.373 1.326 1.00 0.00 WT1 O ATOM 9479 H1 TIP3 2258 5.173 -6.950 -1.541 1.00 0.00 WT1 H ATOM 9480 H2 TIP3 2258 20.314 -16.244 -3.563 1.00 0.00 WT1 H ATOM 9481 OH2 TIP3 2259 1.157 5.002 5.204 1.00 0.00 WT1 O ATOM 9482 H1 TIP3 2259 15.662 8.249 -9.709 1.00 0.00 WT1 H ATOM 9483 H2 TIP3 2259 35.832 9.947 -18.358 1.00 0.00 WT1 H ATOM 9484 OH2 TIP3 2260 5.461 -3.553 1.527 1.00 0.00 WT1 O ATOM 9485 H1 TIP3 2260 12.410 9.814 10.229 1.00 0.00 WT1 H ATOM 9486 H2 TIP3 2260 19.786 -9.354 -5.774 1.00 0.00 WT1 H ATOM 9487 OH2 TIP3 2261 -2.674 -3.279 -0.005 1.00 0.00 WT1 O ATOM 9488 H1 TIP3 2261 17.531 -8.155 -23.022 1.00 0.00 WT1 H ATOM 9489 H2 TIP3 2261 3.669 4.985 13.782 1.00 0.00 WT1 H ATOM 9490 OH2 TIP3 2263 -0.763 -2.465 5.138 1.00 0.00 WT1 O ATOM 9491 H1 TIP3 2263 -6.171 -4.491 -5.255 1.00 0.00 WT1 H ATOM 9492 H2 TIP3 2263 -14.581 -11.507 21.839 1.00 0.00 WT1 H ATOM 9493 OH2 TIP3 2264 5.675 1.727 -1.906 1.00 0.00 WT1 O ATOM 9494 H1 TIP3 2264 8.337 2.045 -1.385 1.00 0.00 WT1 H ATOM 9495 H2 TIP3 2264 6.443 3.742 9.381 1.00 0.00 WT1 H ATOM 9496 OH2 TIP3 2265 0.712 5.616 -0.124 1.00 0.00 WT1 O ATOM 9497 H1 TIP3 2265 -2.015 2.196 -3.158 1.00 0.00 WT1 H ATOM 9498 H2 TIP3 2265 -17.657 25.221 13.691 1.00 0.00 WT1 H ATOM 9499 OH2 TIP3 2266 -0.046 -3.262 8.884 1.00 0.00 WT1 O ATOM 9500 H1 TIP3 2266 0.534 0.143 6.753 1.00 0.00 WT1 H ATOM 9501 H2 TIP3 2266 6.093 15.478 5.785 1.00 0.00 WT1 H ATOM 9502 OH2 TIP3 2267 -5.563 -0.112 -0.408 1.00 0.00 WT1 O ATOM 9503 H1 TIP3 2267 -4.586 2.719 2.004 1.00 0.00 WT1 H ATOM 9504 H2 TIP3 2267 -5.091 -1.808 1.282 1.00 0.00 WT1 H ATOM 9505 OH2 TIP3 2268 1.888 4.981 -0.766 1.00 0.00 WT1 O ATOM 9506 H1 TIP3 2268 -12.063 5.638 -9.764 1.00 0.00 WT1 H ATOM 9507 H2 TIP3 2268 -1.438 6.532 -2.179 1.00 0.00 WT1 H ATOM 9508 OH2 TIP3 2269 4.404 -3.008 7.326 1.00 0.00 WT1 O ATOM 9509 H1 TIP3 2269 6.161 -10.598 8.382 1.00 0.00 WT1 H ATOM 9510 H2 TIP3 2269 -1.902 -5.174 5.146 1.00 0.00 WT1 H ATOM 9511 OH2 TIP3 2270 -0.751 4.406 2.229 1.00 0.00 WT1 O ATOM 9512 H1 TIP3 2270 7.000 4.615 13.411 1.00 0.00 WT1 H ATOM 9513 H2 TIP3 2270 10.357 -1.776 9.365 1.00 0.00 WT1 H ATOM 9514 OH2 TIP3 2271 1.916 4.832 3.094 1.00 0.00 WT1 O ATOM 9515 H1 TIP3 2271 -6.142 20.167 -14.096 1.00 0.00 WT1 H ATOM 9516 H2 TIP3 2271 -1.665 -14.712 -9.079 1.00 0.00 WT1 H ATOM 9517 OH2 TIP3 2272 -1.230 -3.402 6.214 1.00 0.00 WT1 O ATOM 9518 H1 TIP3 2272 -2.328 -3.033 -3.989 1.00 0.00 WT1 H ATOM 9519 H2 TIP3 2272 -1.659 -4.054 34.596 1.00 0.00 WT1 H ATOM 9520 OH2 TIP3 2273 -2.689 0.314 7.014 1.00 0.00 WT1 O ATOM 9521 H1 TIP3 2273 4.957 0.966 9.803 1.00 0.00 WT1 H ATOM 9522 H2 TIP3 2273 -7.103 -2.206 6.772 1.00 0.00 WT1 H ATOM 9523 OH2 TIP3 2274 1.335 3.026 -4.986 1.00 0.00 WT1 O ATOM 9524 H1 TIP3 2274 -8.483 1.572 -14.136 1.00 0.00 WT1 H ATOM 9525 H2 TIP3 2274 16.867 4.172 5.942 1.00 0.00 WT1 H ATOM 9526 OH2 TIP3 2275 -1.688 -1.488 -4.084 1.00 0.00 WT1 O ATOM 9527 H1 TIP3 2275 -0.748 5.228 -15.457 1.00 0.00 WT1 H ATOM 9528 H2 TIP3 2275 0.084 7.209 5.695 1.00 0.00 WT1 H ATOM 9529 OH2 TIP3 2276 -2.827 4.814 5.934 1.00 0.00 WT1 O ATOM 9530 H1 TIP3 2276 10.762 9.843 9.805 1.00 0.00 WT1 H ATOM 9531 H2 TIP3 2276 -2.641 5.663 -9.478 1.00 0.00 WT1 H ATOM 9532 OH2 TIP3 2277 -9.423 -3.641 1.552 1.00 0.00 WT1 O ATOM 9533 H1 TIP3 2277 -9.221 -4.021 5.586 1.00 0.00 WT1 H ATOM 9534 H2 TIP3 2277 -17.551 -5.105 -0.041 1.00 0.00 WT1 H ATOM 9535 OH2 TIP3 2278 1.623 -1.065 1.932 1.00 0.00 WT1 O ATOM 9536 H1 TIP3 2278 7.383 -11.071 9.794 1.00 0.00 WT1 H ATOM 9537 H2 TIP3 2278 -2.489 -7.465 12.054 1.00 0.00 WT1 H ATOM 9538 OH2 TIP3 2279 2.000 1.033 -1.940 1.00 0.00 WT1 O ATOM 9539 H1 TIP3 2279 -12.053 6.599 -4.013 1.00 0.00 WT1 H ATOM 9540 H2 TIP3 2279 21.274 -5.425 1.794 1.00 0.00 WT1 H ATOM 9541 OH2 TIP3 2280 0.634 1.758 4.757 1.00 0.00 WT1 O ATOM 9542 H1 TIP3 2280 -5.928 2.187 0.691 1.00 0.00 WT1 H ATOM 9543 H2 TIP3 2280 15.845 16.803 -4.339 1.00 0.00 WT1 H ATOM 9544 OH2 TIP3 2281 5.884 -3.776 0.252 1.00 0.00 WT1 O ATOM 9545 H1 TIP3 2281 28.211 -6.923 -17.323 1.00 0.00 WT1 H ATOM 9546 H2 TIP3 2281 -9.406 24.066 -17.323 1.00 0.00 WT1 H ATOM 9547 OH2 TIP3 2282 1.091 -4.363 1.679 1.00 0.00 WT1 O ATOM 9548 H1 TIP3 2282 -1.240 -7.644 4.203 1.00 0.00 WT1 H ATOM 9549 H2 TIP3 2282 -14.669 5.257 0.753 1.00 0.00 WT1 H ATOM 9550 OH2 TIP3 2283 2.374 -5.618 -4.559 1.00 0.00 WT1 O ATOM 9551 H1 TIP3 2283 7.018 -11.964 4.240 1.00 0.00 WT1 H ATOM 9552 H2 TIP3 2283 -0.385 6.701 -4.919 1.00 0.00 WT1 H ATOM 9553 OH2 TIP3 2284 -0.152 7.201 -2.982 1.00 0.00 WT1 O ATOM 9554 H1 TIP3 2284 -28.100 -6.560 -17.660 1.00 0.00 WT1 H ATOM 9555 H2 TIP3 2284 9.946 3.450 16.203 1.00 0.00 WT1 H ATOM 9556 OH2 TIP3 2285 5.704 3.430 -4.314 1.00 0.00 WT1 O ATOM 9557 H1 TIP3 2285 8.202 6.363 -5.617 1.00 0.00 WT1 H ATOM 9558 H2 TIP3 2285 -12.078 8.202 -0.579 1.00 0.00 WT1 H ATOM 9559 OH2 TIP3 2286 1.436 -4.938 0.564 1.00 0.00 WT1 O ATOM 9560 H1 TIP3 2286 -2.253 -5.621 3.064 1.00 0.00 WT1 H ATOM 9561 H2 TIP3 2286 24.885 -5.945 -11.475 1.00 0.00 WT1 H ATOM 9562 OH2 TIP3 2287 1.009 1.545 5.595 1.00 0.00 WT1 O ATOM 9563 H1 TIP3 2287 2.035 5.582 3.708 1.00 0.00 WT1 H ATOM 9564 H2 TIP3 2287 7.748 2.308 8.522 1.00 0.00 WT1 H ATOM 9565 OH2 TIP3 2288 -0.824 0.405 2.039 1.00 0.00 WT1 O ATOM 9566 H1 TIP3 2288 0.756 11.202 -19.826 1.00 0.00 WT1 H ATOM 9567 H2 TIP3 2288 -8.591 4.052 -2.262 1.00 0.00 WT1 H ATOM 9568 OH2 TIP3 2289 2.122 -1.122 2.791 1.00 0.00 WT1 O ATOM 9569 H1 TIP3 2289 4.433 -4.424 3.314 1.00 0.00 WT1 H ATOM 9570 H2 TIP3 2289 0.598 -2.887 -1.737 1.00 0.00 WT1 H ATOM 9571 OH2 TIP3 2290 3.900 -12.499 -2.046 1.00 0.00 WT1 O ATOM 9572 H1 TIP3 2290 -1.576 -23.369 3.111 1.00 0.00 WT1 H ATOM 9573 H2 TIP3 2290 5.844 8.071 -7.053 1.00 0.00 WT1 H ATOM 9574 OH2 TIP3 2291 3.424 -0.707 -0.076 1.00 0.00 WT1 O ATOM 9575 H1 TIP3 2291 7.304 5.563 33.780 1.00 0.00 WT1 H ATOM 9576 H2 TIP3 2291 -0.261 0.625 16.119 1.00 0.00 WT1 H ATOM 9577 OH2 TIP3 2292 -0.828 -1.635 -0.282 1.00 0.00 WT1 O ATOM 9578 H1 TIP3 2292 20.611 4.720 1.242 1.00 0.00 WT1 H ATOM 9579 H2 TIP3 2292 3.726 -4.780 -1.626 1.00 0.00 WT1 H ATOM 9580 OH2 TIP3 2293 -5.577 0.151 -0.994 1.00 0.00 WT1 O ATOM 9581 H1 TIP3 2293 -25.453 5.131 4.754 1.00 0.00 WT1 H ATOM 9582 H2 TIP3 2293 4.771 8.281 2.396 1.00 0.00 WT1 H ATOM 9583 OH2 TIP3 2294 -2.454 2.323 1.903 1.00 0.00 WT1 O ATOM 9584 H1 TIP3 2294 -3.660 -1.969 9.185 1.00 0.00 WT1 H ATOM 9585 H2 TIP3 2294 -14.365 -1.792 8.170 1.00 0.00 WT1 H ATOM 9586 OH2 TIP3 2295 0.050 -4.587 0.144 1.00 0.00 WT1 O ATOM 9587 H1 TIP3 2295 8.120 -7.892 4.164 1.00 0.00 WT1 H ATOM 9588 H2 TIP3 2295 -13.641 26.950 11.993 1.00 0.00 WT1 H ATOM 9589 OH2 TIP3 2296 0.873 0.439 -5.139 1.00 0.00 WT1 O ATOM 9590 H1 TIP3 2296 -7.590 16.533 16.941 1.00 0.00 WT1 H ATOM 9591 H2 TIP3 2296 -20.689 -7.217 -13.631 1.00 0.00 WT1 H ATOM 9592 OH2 TIP3 2298 2.740 -0.509 5.085 1.00 0.00 WT1 O ATOM 9593 H1 TIP3 2298 4.917 -8.496 5.324 1.00 0.00 WT1 H ATOM 9594 H2 TIP3 2298 3.479 2.740 2.509 1.00 0.00 WT1 H ATOM 9595 OH2 TIP3 2299 -1.322 -3.929 5.158 1.00 0.00 WT1 O ATOM 9596 H1 TIP3 2299 -14.186 5.037 3.580 1.00 0.00 WT1 H ATOM 9597 H2 TIP3 2299 -4.427 -24.617 10.641 1.00 0.00 WT1 H ATOM 9598 OH2 TIP3 2300 3.349 -0.873 -2.170 1.00 0.00 WT1 O ATOM 9599 H1 TIP3 2300 -4.882 7.103 1.578 1.00 0.00 WT1 H ATOM 9600 H2 TIP3 2300 -0.375 -4.497 -13.895 1.00 0.00 WT1 H ATOM 9601 OH2 TIP3 2301 3.797 -1.459 3.654 1.00 0.00 WT1 O ATOM 9602 H1 TIP3 2301 14.471 3.951 -20.766 1.00 0.00 WT1 H ATOM 9603 H2 TIP3 2301 11.943 29.565 12.569 1.00 0.00 WT1 H ATOM 9604 OH2 TIP3 2302 -5.276 3.190 -2.480 1.00 0.00 WT1 O ATOM 9605 H1 TIP3 2302 -0.552 20.663 -15.656 1.00 0.00 WT1 H ATOM 9606 H2 TIP3 2302 13.173 -4.986 17.461 1.00 0.00 WT1 H ATOM 9607 OH2 TIP3 2303 -4.592 -4.097 0.436 1.00 0.00 WT1 O ATOM 9608 H1 TIP3 2303 -2.852 -5.772 -8.929 1.00 0.00 WT1 H ATOM 9609 H2 TIP3 2303 -6.929 -4.350 10.901 1.00 0.00 WT1 H ATOM 9610 OH2 TIP3 2305 0.693 -5.967 -3.384 1.00 0.00 WT1 O ATOM 9611 H1 TIP3 2305 23.169 -2.285 -10.045 1.00 0.00 WT1 H ATOM 9612 H2 TIP3 2305 24.521 -22.675 -0.798 1.00 0.00 WT1 H ATOM 9613 OH2 TIP3 2306 -0.495 5.183 4.134 1.00 0.00 WT1 O ATOM 9614 H1 TIP3 2306 -0.420 0.256 3.980 1.00 0.00 WT1 H ATOM 9615 H2 TIP3 2306 6.760 -15.209 -7.463 1.00 0.00 WT1 H ATOM 9616 OH2 TIP3 2307 -2.239 4.520 -3.053 1.00 0.00 WT1 O ATOM 9617 H1 TIP3 2307 -8.243 -1.278 2.927 1.00 0.00 WT1 H ATOM 9618 H2 TIP3 2307 -7.876 6.469 10.021 1.00 0.00 WT1 H ATOM 9619 OH2 TIP3 2308 6.145 -1.417 -5.239 1.00 0.00 WT1 O ATOM 9620 H1 TIP3 2308 22.250 -30.504 -9.115 1.00 0.00 WT1 H ATOM 9621 H2 TIP3 2308 30.436 4.135 25.234 1.00 0.00 WT1 H ATOM 9622 OH2 TIP3 2309 -0.537 -0.706 8.879 1.00 0.00 WT1 O ATOM 9623 H1 TIP3 2309 22.296 3.539 -7.743 1.00 0.00 WT1 H ATOM 9624 H2 TIP3 2309 -13.182 1.351 18.256 1.00 0.00 WT1 H ATOM 9625 OH2 TIP3 2310 -6.456 -5.545 6.740 1.00 0.00 WT1 O ATOM 9626 H1 TIP3 2310 -3.375 -12.165 1.467 1.00 0.00 WT1 H ATOM 9627 H2 TIP3 2310 -4.963 -7.128 5.121 1.00 0.00 WT1 H ATOM 9628 OH2 TIP3 2311 -3.837 3.221 -3.446 1.00 0.00 WT1 O ATOM 9629 H1 TIP3 2311 3.754 -12.047 23.215 1.00 0.00 WT1 H ATOM 9630 H2 TIP3 2311 -2.536 -1.017 -12.497 1.00 0.00 WT1 H ATOM 9631 OH2 TIP3 2313 -3.608 -2.913 5.219 1.00 0.00 WT1 O ATOM 9632 H1 TIP3 2313 0.972 -2.282 3.857 1.00 0.00 WT1 H ATOM 9633 H2 TIP3 2313 -13.871 -4.586 7.026 1.00 0.00 WT1 H ATOM 9634 OH2 TIP3 2314 -1.602 -3.236 -8.621 1.00 0.00 WT1 O ATOM 9635 H1 TIP3 2314 9.130 -1.215 1.129 1.00 0.00 WT1 H ATOM 9636 H2 TIP3 2314 8.480 -7.064 -16.584 1.00 0.00 WT1 H ATOM 9637 OH2 TIP3 2315 0.074 6.861 -5.533 1.00 0.00 WT1 O ATOM 9638 H1 TIP3 2315 -4.174 4.838 2.523 1.00 0.00 WT1 H ATOM 9639 H2 TIP3 2315 -21.463 -3.059 -1.171 1.00 0.00 WT1 H ATOM 9640 OH2 TIP3 2316 1.576 -3.420 5.648 1.00 0.00 WT1 O ATOM 9641 H1 TIP3 2316 5.984 -3.117 15.410 1.00 0.00 WT1 H ATOM 9642 H2 TIP3 2316 9.116 12.314 8.486 1.00 0.00 WT1 H ATOM 9643 OH2 TIP3 2317 -0.186 -1.104 -0.500 1.00 0.00 WT1 O ATOM 9644 H1 TIP3 2317 7.332 -13.319 2.479 1.00 0.00 WT1 H ATOM 9645 H2 TIP3 2317 20.410 -3.304 1.345 1.00 0.00 WT1 H ATOM 9646 OH2 TIP3 2318 0.847 3.633 -5.543 1.00 0.00 WT1 O ATOM 9647 H1 TIP3 2318 4.927 9.503 -8.100 1.00 0.00 WT1 H ATOM 9648 H2 TIP3 2318 -2.159 6.428 -1.504 1.00 0.00 WT1 H ATOM 9649 OH2 TIP3 2319 3.622 -0.625 1.434 1.00 0.00 WT1 O ATOM 9650 H1 TIP3 2319 2.988 -14.870 -3.921 1.00 0.00 WT1 H ATOM 9651 H2 TIP3 2319 -5.543 -1.121 13.246 1.00 0.00 WT1 H ATOM 9652 OH2 TIP3 2320 -3.440 3.339 -0.492 1.00 0.00 WT1 O ATOM 9653 H1 TIP3 2320 5.122 -20.211 -10.663 1.00 0.00 WT1 H ATOM 9654 H2 TIP3 2320 -5.295 1.962 1.162 1.00 0.00 WT1 H ATOM 9655 OH2 TIP3 2321 -2.038 1.269 8.338 1.00 0.00 WT1 O ATOM 9656 H1 TIP3 2321 -0.501 0.705 2.412 1.00 0.00 WT1 H ATOM 9657 H2 TIP3 2321 2.051 -1.968 10.963 1.00 0.00 WT1 H ATOM 9658 OH2 TIP3 2322 0.166 -4.251 -1.585 1.00 0.00 WT1 O ATOM 9659 H1 TIP3 2322 -0.265 4.849 8.797 1.00 0.00 WT1 H ATOM 9660 H2 TIP3 2322 1.892 -17.321 5.563 1.00 0.00 WT1 H ATOM 9661 OH2 TIP3 2323 -0.625 2.404 -2.478 1.00 0.00 WT1 O ATOM 9662 H1 TIP3 2323 -2.421 1.399 -16.815 1.00 0.00 WT1 H ATOM 9663 H2 TIP3 2323 6.274 14.414 -2.779 1.00 0.00 WT1 H ATOM 9664 OH2 TIP3 2324 -1.459 -4.128 -2.538 1.00 0.00 WT1 O ATOM 9665 H1 TIP3 2324 19.465 -0.227 4.185 1.00 0.00 WT1 H ATOM 9666 H2 TIP3 2324 -13.940 -4.119 4.249 1.00 0.00 WT1 H ATOM 9667 OH2 TIP3 2326 -0.992 1.198 -4.267 1.00 0.00 WT1 O ATOM 9668 H1 TIP3 2326 3.777 -22.894 -5.602 1.00 0.00 WT1 H ATOM 9669 H2 TIP3 2326 24.252 -6.387 -19.019 1.00 0.00 WT1 H ATOM 9670 OH2 TIP3 2327 -0.209 4.640 1.596 1.00 0.00 WT1 O ATOM 9671 H1 TIP3 2327 -20.855 -12.978 8.075 1.00 0.00 WT1 H ATOM 9672 H2 TIP3 2327 8.841 13.186 6.212 1.00 0.00 WT1 H ATOM 9673 OH2 TIP3 2329 4.601 4.147 -9.642 1.00 0.00 WT1 O ATOM 9674 H1 TIP3 2329 10.231 8.734 -0.858 1.00 0.00 WT1 H ATOM 9675 H2 TIP3 2329 24.619 -3.225 -7.882 1.00 0.00 WT1 H ATOM 9676 OH2 TIP3 2330 2.973 2.099 4.850 1.00 0.00 WT1 O ATOM 9677 H1 TIP3 2330 8.032 18.134 6.453 1.00 0.00 WT1 H ATOM 9678 H2 TIP3 2330 5.205 -4.371 -3.252 1.00 0.00 WT1 H ATOM 9679 OH2 TIP3 2331 4.624 1.677 4.270 1.00 0.00 WT1 O ATOM 9680 H1 TIP3 2331 -14.619 -13.717 -10.096 1.00 0.00 WT1 H ATOM 9681 H2 TIP3 2331 4.755 -5.945 -18.276 1.00 0.00 WT1 H ATOM 9682 OH2 TIP3 2332 6.305 1.819 3.806 1.00 0.00 WT1 O ATOM 9683 H1 TIP3 2332 13.478 -21.652 4.794 1.00 0.00 WT1 H ATOM 9684 H2 TIP3 2332 11.126 3.345 1.536 1.00 0.00 WT1 H ATOM 9685 OH2 TIP3 2333 -2.428 -1.702 -0.589 1.00 0.00 WT1 O ATOM 9686 H1 TIP3 2333 -26.745 7.628 12.948 1.00 0.00 WT1 H ATOM 9687 H2 TIP3 2333 3.766 -7.734 5.282 1.00 0.00 WT1 H ATOM 9688 OH2 TIP3 2334 9.571 3.799 1.266 1.00 0.00 WT1 O ATOM 9689 H1 TIP3 2334 5.215 -10.574 -21.384 1.00 0.00 WT1 H ATOM 9690 H2 TIP3 2334 -17.327 2.658 9.281 1.00 0.00 WT1 H ATOM 9691 OH2 TIP3 2335 3.906 3.561 6.414 1.00 0.00 WT1 O ATOM 9692 H1 TIP3 2335 7.810 0.386 -0.153 1.00 0.00 WT1 H ATOM 9693 H2 TIP3 2335 24.027 -19.951 -30.556 1.00 0.00 WT1 H ATOM 9694 OH2 TIP3 2336 -5.533 -1.079 3.488 1.00 0.00 WT1 O ATOM 9695 H1 TIP3 2336 19.805 -3.969 5.379 1.00 0.00 WT1 H ATOM 9696 H2 TIP3 2336 -29.099 0.289 -3.054 1.00 0.00 WT1 H ATOM 9697 OH2 TIP3 2337 -1.616 -5.805 0.427 1.00 0.00 WT1 O ATOM 9698 H1 TIP3 2337 -17.042 -11.127 29.403 1.00 0.00 WT1 H ATOM 9699 H2 TIP3 2337 1.329 8.382 5.335 1.00 0.00 WT1 H ATOM 9700 OH2 TIP3 2338 -1.841 -3.792 -1.208 1.00 0.00 WT1 O ATOM 9701 H1 TIP3 2338 5.868 -15.985 -18.596 1.00 0.00 WT1 H ATOM 9702 H2 TIP3 2338 -5.017 -4.303 -16.030 1.00 0.00 WT1 H ATOM 9703 OH2 TIP3 2339 1.620 3.073 -2.232 1.00 0.00 WT1 O ATOM 9704 H1 TIP3 2339 -26.224 24.570 -22.824 1.00 0.00 WT1 H ATOM 9705 H2 TIP3 2339 21.308 -28.276 21.567 1.00 0.00 WT1 H ATOM 9706 OH2 TIP3 2340 3.945 0.535 1.173 1.00 0.00 WT1 O ATOM 9707 H1 TIP3 2340 -19.102 -3.232 15.544 1.00 0.00 WT1 H ATOM 9708 H2 TIP3 2340 6.739 6.281 4.154 1.00 0.00 WT1 H ATOM 9709 OH2 TIP3 2341 -0.662 1.407 1.828 1.00 0.00 WT1 O ATOM 9710 H1 TIP3 2341 -27.971 -4.920 10.775 1.00 0.00 WT1 H ATOM 9711 H2 TIP3 2341 -4.799 0.708 3.416 1.00 0.00 WT1 H ATOM 9712 OH2 TIP3 2342 0.725 -3.379 -3.692 1.00 0.00 WT1 O ATOM 9713 H1 TIP3 2342 17.383 -15.159 -17.290 1.00 0.00 WT1 H ATOM 9714 H2 TIP3 2342 -20.046 11.254 13.293 1.00 0.00 WT1 H ATOM 9715 OH2 TIP3 2344 -7.180 2.626 7.480 1.00 0.00 WT1 O ATOM 9716 H1 TIP3 2344 -9.439 10.025 1.679 1.00 0.00 WT1 H ATOM 9717 H2 TIP3 2344 3.085 -2.623 12.778 1.00 0.00 WT1 H ATOM 9718 OH2 TIP3 2345 0.055 -7.006 6.044 1.00 0.00 WT1 O ATOM 9719 H1 TIP3 2345 -6.885 -30.199 11.496 1.00 0.00 WT1 H ATOM 9720 H2 TIP3 2345 12.523 8.923 -9.454 1.00 0.00 WT1 H ATOM 9721 OH2 TIP3 2346 0.084 4.067 3.344 1.00 0.00 WT1 O ATOM 9722 H1 TIP3 2346 -23.653 -8.904 22.288 1.00 0.00 WT1 H ATOM 9723 H2 TIP3 2346 0.380 30.995 -6.109 1.00 0.00 WT1 H ATOM 9724 OH2 TIP3 2347 2.355 -0.362 4.806 1.00 0.00 WT1 O ATOM 9725 H1 TIP3 2347 6.195 -2.490 -2.420 1.00 0.00 WT1 H ATOM 9726 H2 TIP3 2347 -7.409 1.753 5.814 1.00 0.00 WT1 H ATOM 9727 OH2 TIP3 2348 -3.599 -2.834 -2.910 1.00 0.00 WT1 O ATOM 9728 H1 TIP3 2348 24.624 17.576 4.478 1.00 0.00 WT1 H ATOM 9729 H2 TIP3 2348 0.906 8.543 4.258 1.00 0.00 WT1 H ATOM 9730 OH2 TIP3 2349 -0.800 -0.940 -0.684 1.00 0.00 WT1 O ATOM 9731 H1 TIP3 2349 -4.450 -12.906 21.271 1.00 0.00 WT1 H ATOM 9732 H2 TIP3 2349 1.726 2.244 -5.311 1.00 0.00 WT1 H ATOM 9733 OH2 TIP3 2350 4.638 0.850 3.129 1.00 0.00 WT1 O ATOM 9734 H1 TIP3 2350 9.006 20.622 13.865 1.00 0.00 WT1 H ATOM 9735 H2 TIP3 2350 24.546 -24.597 -3.927 1.00 0.00 WT1 H ATOM 9736 OH2 TIP3 2351 -0.092 -4.950 -10.461 1.00 0.00 WT1 O ATOM 9737 H1 TIP3 2351 2.224 0.412 -13.499 1.00 0.00 WT1 H ATOM 9738 H2 TIP3 2351 -1.026 -10.183 -9.971 1.00 0.00 WT1 H ATOM 9739 OH2 TIP3 2352 3.561 2.586 0.998 1.00 0.00 WT1 O ATOM 9740 H1 TIP3 2352 -2.151 2.787 6.891 1.00 0.00 WT1 H ATOM 9741 H2 TIP3 2352 4.685 -0.785 -1.855 1.00 0.00 WT1 H ATOM 9742 OH2 TIP3 2353 -5.270 3.959 1.106 1.00 0.00 WT1 O ATOM 9743 H1 TIP3 2353 -4.191 -4.180 -0.829 1.00 0.00 WT1 H ATOM 9744 H2 TIP3 2353 27.120 30.893 2.637 1.00 0.00 WT1 H ATOM 9745 OH2 TIP3 2354 4.771 -2.745 -7.812 1.00 0.00 WT1 O ATOM 9746 H1 TIP3 2354 0.419 0.629 -3.332 1.00 0.00 WT1 H ATOM 9747 H2 TIP3 2354 -0.080 -9.858 -2.883 1.00 0.00 WT1 H ATOM 9748 OH2 TIP3 2355 -2.758 1.613 3.192 1.00 0.00 WT1 O ATOM 9749 H1 TIP3 2355 20.001 1.403 -26.646 1.00 0.00 WT1 H ATOM 9750 H2 TIP3 2355 -13.956 -18.853 12.725 1.00 0.00 WT1 H ATOM 9751 OH2 TIP3 2356 -1.269 -10.031 -7.724 1.00 0.00 WT1 O ATOM 9752 H1 TIP3 2356 14.992 9.137 -12.365 1.00 0.00 WT1 H ATOM 9753 H2 TIP3 2356 -3.043 -5.574 6.283 1.00 0.00 WT1 H ATOM 9754 OH2 TIP3 2357 0.912 -5.068 -4.811 1.00 0.00 WT1 O ATOM 9755 H1 TIP3 2357 -10.843 -5.362 9.089 1.00 0.00 WT1 H ATOM 9756 H2 TIP3 2357 15.405 6.797 5.897 1.00 0.00 WT1 H ATOM 9757 OH2 TIP3 2358 -0.362 1.484 -2.629 1.00 0.00 WT1 O ATOM 9758 H1 TIP3 2358 -23.472 -16.183 9.165 1.00 0.00 WT1 H ATOM 9759 H2 TIP3 2358 -13.805 -0.138 0.657 1.00 0.00 WT1 H ATOM 9760 OH2 TIP3 2359 -1.094 2.260 -1.795 1.00 0.00 WT1 O ATOM 9761 H1 TIP3 2359 23.841 8.365 -7.149 1.00 0.00 WT1 H ATOM 9762 H2 TIP3 2359 -6.835 13.721 26.768 1.00 0.00 WT1 H ATOM 9763 OH2 TIP3 2360 -1.196 -0.679 -1.739 1.00 0.00 WT1 O ATOM 9764 H1 TIP3 2360 10.476 3.645 2.382 1.00 0.00 WT1 H ATOM 9765 H2 TIP3 2360 -7.734 -2.701 12.021 1.00 0.00 WT1 H ATOM 9766 OH2 TIP3 2361 6.881 3.708 3.363 1.00 0.00 WT1 O ATOM 9767 H1 TIP3 2361 3.395 -5.450 -19.648 1.00 0.00 WT1 H ATOM 9768 H2 TIP3 2361 9.229 13.109 -0.565 1.00 0.00 WT1 H ATOM 9769 OH2 TIP3 2362 -2.147 0.852 1.112 1.00 0.00 WT1 O ATOM 9770 H1 TIP3 2362 -5.663 -3.637 -5.617 1.00 0.00 WT1 H ATOM 9771 H2 TIP3 2362 -7.052 -1.795 7.958 1.00 0.00 WT1 H ATOM 9772 OH2 TIP3 2363 4.657 -4.619 -3.312 1.00 0.00 WT1 O ATOM 9773 H1 TIP3 2363 -3.014 -5.044 -5.684 1.00 0.00 WT1 H ATOM 9774 H2 TIP3 2363 11.471 -3.945 -11.908 1.00 0.00 WT1 H ATOM 9775 OH2 TIP3 2367 3.397 -1.097 -3.564 1.00 0.00 WT1 O ATOM 9776 H1 TIP3 2367 5.347 1.080 2.569 1.00 0.00 WT1 H ATOM 9777 H2 TIP3 2367 -11.050 -4.679 16.153 1.00 0.00 WT1 H ATOM 9778 OH2 TIP3 2369 2.109 -2.321 -3.799 1.00 0.00 WT1 O ATOM 9779 H1 TIP3 2369 8.082 -18.909 -22.563 1.00 0.00 WT1 H ATOM 9780 H2 TIP3 2369 -2.769 23.350 7.481 1.00 0.00 WT1 H ATOM 9781 OH2 TIP3 2370 6.571 7.439 -0.835 1.00 0.00 WT1 O ATOM 9782 H1 TIP3 2370 19.994 -0.701 12.154 1.00 0.00 WT1 H ATOM 9783 H2 TIP3 2370 13.400 29.465 0.069 1.00 0.00 WT1 H ATOM 9784 OH2 TIP3 2371 3.888 -3.331 -7.832 1.00 0.00 WT1 O ATOM 9785 H1 TIP3 2371 -7.235 -11.667 4.957 1.00 0.00 WT1 H ATOM 9786 H2 TIP3 2371 -5.967 -20.252 0.592 1.00 0.00 WT1 H ATOM 9787 OH2 TIP3 2372 1.556 5.880 -2.285 1.00 0.00 WT1 O ATOM 9788 H1 TIP3 2372 3.906 -12.288 -10.432 1.00 0.00 WT1 H ATOM 9789 H2 TIP3 2372 -14.221 13.363 -11.359 1.00 0.00 WT1 H ATOM 9790 OH2 TIP3 2373 2.425 -4.749 -5.362 1.00 0.00 WT1 O ATOM 9791 H1 TIP3 2373 6.302 -3.627 -28.775 1.00 0.00 WT1 H ATOM 9792 H2 TIP3 2373 -12.101 -22.236 3.327 1.00 0.00 WT1 H ATOM 9793 OH2 TIP3 2374 0.598 3.147 2.852 1.00 0.00 WT1 O ATOM 9794 H1 TIP3 2374 -4.312 12.380 0.013 1.00 0.00 WT1 H ATOM 9795 H2 TIP3 2374 6.303 -13.978 7.507 1.00 0.00 WT1 H ATOM 9796 OH2 TIP3 2375 -1.272 -1.430 -1.009 1.00 0.00 WT1 O ATOM 9797 H1 TIP3 2375 2.628 -2.820 0.830 1.00 0.00 WT1 H ATOM 9798 H2 TIP3 2375 -25.613 4.885 3.363 1.00 0.00 WT1 H ATOM 9799 OH2 TIP3 2376 -0.023 -6.492 0.584 1.00 0.00 WT1 O ATOM 9800 H1 TIP3 2376 -10.591 1.097 6.218 1.00 0.00 WT1 H ATOM 9801 H2 TIP3 2376 0.482 -3.281 8.445 1.00 0.00 WT1 H ATOM 9802 OH2 TIP3 2377 -0.201 2.434 5.375 1.00 0.00 WT1 O ATOM 9803 H1 TIP3 2377 1.310 2.891 3.003 1.00 0.00 WT1 H ATOM 9804 H2 TIP3 2377 -22.454 15.655 31.614 1.00 0.00 WT1 H ATOM 9805 OH2 TIP3 2379 0.681 -0.001 3.255 1.00 0.00 WT1 O ATOM 9806 H1 TIP3 2379 4.799 6.089 -0.232 1.00 0.00 WT1 H ATOM 9807 H2 TIP3 2379 0.317 2.253 3.930 1.00 0.00 WT1 H ATOM 9808 OH2 TIP3 2380 -0.939 -0.001 -0.279 1.00 0.00 WT1 O ATOM 9809 H1 TIP3 2380 -7.510 15.916 5.503 1.00 0.00 WT1 H ATOM 9810 H2 TIP3 2380 -8.398 13.371 -15.270 1.00 0.00 WT1 H ATOM 9811 OH2 TIP3 2381 -5.901 -2.531 1.212 1.00 0.00 WT1 O ATOM 9812 H1 TIP3 2381 -27.079 -20.972 -21.928 1.00 0.00 WT1 H ATOM 9813 H2 TIP3 2381 9.390 9.021 -13.127 1.00 0.00 WT1 H ATOM 9814 OH2 TIP3 2382 -2.491 -1.684 2.708 1.00 0.00 WT1 O ATOM 9815 H1 TIP3 2382 6.274 -10.482 0.395 1.00 0.00 WT1 H ATOM 9816 H2 TIP3 2382 -5.782 0.850 3.587 1.00 0.00 WT1 H ATOM 9817 OH2 TIP3 2383 -0.787 4.574 6.571 1.00 0.00 WT1 O ATOM 9818 H1 TIP3 2383 1.364 -4.940 4.084 1.00 0.00 WT1 H ATOM 9819 H2 TIP3 2383 -8.778 -3.681 13.263 1.00 0.00 WT1 H ATOM 9820 OH2 TIP3 2384 2.000 1.147 -6.467 1.00 0.00 WT1 O ATOM 9821 H1 TIP3 2384 1.790 -5.619 -4.110 1.00 0.00 WT1 H ATOM 9822 H2 TIP3 2384 4.130 7.066 -13.213 1.00 0.00 WT1 H ATOM 9823 OH2 TIP3 2385 3.325 6.414 5.577 1.00 0.00 WT1 O ATOM 9824 H1 TIP3 2385 7.240 -5.859 -18.337 1.00 0.00 WT1 H ATOM 9825 H2 TIP3 2385 2.176 -8.238 10.497 1.00 0.00 WT1 H ATOM 9826 OH2 TIP3 2386 -4.203 -2.678 1.177 1.00 0.00 WT1 O ATOM 9827 H1 TIP3 2386 -18.429 -11.273 -7.993 1.00 0.00 WT1 H ATOM 9828 H2 TIP3 2386 0.031 5.332 9.220 1.00 0.00 WT1 H ATOM 9829 OH2 TIP3 2387 -7.021 -1.491 -1.708 1.00 0.00 WT1 O ATOM 9830 H1 TIP3 2387 -7.888 -6.591 11.731 1.00 0.00 WT1 H ATOM 9831 H2 TIP3 2387 -4.793 -3.240 -1.738 1.00 0.00 WT1 H ATOM 9832 OH2 TIP3 2389 5.043 -2.979 2.714 1.00 0.00 WT1 O ATOM 9833 H1 TIP3 2389 7.624 7.887 -0.818 1.00 0.00 WT1 H ATOM 9834 H2 TIP3 2389 6.699 -6.586 3.641 1.00 0.00 WT1 H ATOM 9835 OH2 TIP3 2390 6.222 -1.895 -5.299 1.00 0.00 WT1 O ATOM 9836 H1 TIP3 2390 -15.420 15.370 9.784 1.00 0.00 WT1 H ATOM 9837 H2 TIP3 2390 -6.120 9.788 12.447 1.00 0.00 WT1 H ATOM 9838 OH2 TIP3 2391 6.864 -0.852 -1.464 1.00 0.00 WT1 O ATOM 9839 H1 TIP3 2391 24.154 8.646 2.140 1.00 0.00 WT1 H ATOM 9840 H2 TIP3 2391 2.509 -0.134 -14.659 1.00 0.00 WT1 H ATOM 9841 OH2 TIP3 2392 -1.995 -2.813 3.682 1.00 0.00 WT1 O ATOM 9842 H1 TIP3 2392 -3.607 -4.794 -16.050 1.00 0.00 WT1 H ATOM 9843 H2 TIP3 2392 16.998 -1.314 13.746 1.00 0.00 WT1 H ATOM 9844 OH2 TIP3 2393 2.823 1.799 -5.124 1.00 0.00 WT1 O ATOM 9845 H1 TIP3 2393 4.352 0.325 -1.274 1.00 0.00 WT1 H ATOM 9846 H2 TIP3 2393 -4.602 -3.903 16.137 1.00 0.00 WT1 H ATOM 9847 OH2 TIP3 2394 -5.034 -4.299 -0.979 1.00 0.00 WT1 O ATOM 9848 H1 TIP3 2394 -4.380 4.535 1.321 1.00 0.00 WT1 H ATOM 9849 H2 TIP3 2394 -2.346 0.190 -2.184 1.00 0.00 WT1 H ATOM 9850 OH2 TIP3 2395 -1.439 -5.506 -2.172 1.00 0.00 WT1 O ATOM 9851 H1 TIP3 2395 7.072 -14.588 4.962 1.00 0.00 WT1 H ATOM 9852 H2 TIP3 2395 -3.212 0.368 -14.596 1.00 0.00 WT1 H ATOM 9853 OH2 TIP3 2396 -3.081 2.509 -0.786 1.00 0.00 WT1 O ATOM 9854 H1 TIP3 2396 7.396 6.403 1.595 1.00 0.00 WT1 H ATOM 9855 H2 TIP3 2396 7.553 19.875 0.734 1.00 0.00 WT1 H ATOM 9856 OH2 TIP3 2397 3.027 9.952 -5.531 1.00 0.00 WT1 O ATOM 9857 H1 TIP3 2397 1.876 9.794 -17.849 1.00 0.00 WT1 H ATOM 9858 H2 TIP3 2397 6.931 19.461 -7.436 1.00 0.00 WT1 H ATOM 9859 OH2 TIP3 2398 6.157 1.642 7.525 1.00 0.00 WT1 O ATOM 9860 H1 TIP3 2398 30.934 -17.807 4.075 1.00 0.00 WT1 H ATOM 9861 H2 TIP3 2398 -12.956 -10.145 -8.406 1.00 0.00 WT1 H ATOM 9862 OH2 TIP3 2399 -2.028 -4.572 -7.806 1.00 0.00 WT1 O ATOM 9863 H1 TIP3 2399 6.278 -15.823 25.134 1.00 0.00 WT1 H ATOM 9864 H2 TIP3 2399 15.891 -38.631 7.107 1.00 0.00 WT1 H ATOM 9865 OH2 TIP3 2400 -3.187 -1.942 4.233 1.00 0.00 WT1 O ATOM 9866 H1 TIP3 2400 -4.099 -0.827 0.803 1.00 0.00 WT1 H ATOM 9867 H2 TIP3 2400 -4.278 -2.720 5.627 1.00 0.00 WT1 H ATOM 9868 OH2 TIP3 2401 1.504 -7.575 -0.008 1.00 0.00 WT1 O ATOM 9869 H1 TIP3 2401 1.918 -7.805 5.946 1.00 0.00 WT1 H ATOM 9870 H2 TIP3 2401 -7.213 7.817 0.802 1.00 0.00 WT1 H ATOM 9871 OH2 TIP3 2402 -12.940 -4.611 -1.090 1.00 0.00 WT1 O ATOM 9872 H1 TIP3 2402 -17.076 -12.777 -23.433 1.00 0.00 WT1 H ATOM 9873 H2 TIP3 2402 11.989 3.947 -0.673 1.00 0.00 WT1 H ATOM 9874 OH2 TIP3 2403 -8.281 0.282 7.825 1.00 0.00 WT1 O ATOM 9875 H1 TIP3 2403 -16.097 2.392 6.033 1.00 0.00 WT1 H ATOM 9876 H2 TIP3 2403 -16.814 2.354 -0.229 1.00 0.00 WT1 H ATOM 9877 OH2 TIP3 2404 -8.693 1.117 1.380 1.00 0.00 WT1 O ATOM 9878 H1 TIP3 2404 -33.197 27.591 -2.384 1.00 0.00 WT1 H ATOM 9879 H2 TIP3 2404 10.658 8.341 25.905 1.00 0.00 WT1 H ATOM 9880 OH2 TIP3 2405 0.594 -2.156 -5.454 1.00 0.00 WT1 O ATOM 9881 H1 TIP3 2405 9.616 -9.112 7.805 1.00 0.00 WT1 H ATOM 9882 H2 TIP3 2405 -0.709 -0.391 -1.195 1.00 0.00 WT1 H ATOM 9883 OH2 TIP3 2406 -2.275 0.789 2.421 1.00 0.00 WT1 O ATOM 9884 H1 TIP3 2406 -4.425 -11.478 4.067 1.00 0.00 WT1 H ATOM 9885 H2 TIP3 2406 -6.027 -2.625 0.848 1.00 0.00 WT1 H ATOM 9886 OH2 TIP3 2407 -0.633 1.915 -0.719 1.00 0.00 WT1 O ATOM 9887 H1 TIP3 2407 -14.121 11.843 5.272 1.00 0.00 WT1 H ATOM 9888 H2 TIP3 2407 -8.812 -4.699 5.704 1.00 0.00 WT1 H ATOM 9889 OH2 TIP3 2408 4.941 1.755 -6.033 1.00 0.00 WT1 O ATOM 9890 H1 TIP3 2408 5.883 -8.763 -2.877 1.00 0.00 WT1 H ATOM 9891 H2 TIP3 2408 7.704 -13.302 -14.430 1.00 0.00 WT1 H ATOM 9892 OH2 TIP3 2409 1.922 1.712 -0.026 1.00 0.00 WT1 O ATOM 9893 H1 TIP3 2409 -0.562 -15.419 -14.103 1.00 0.00 WT1 H ATOM 9894 H2 TIP3 2409 20.532 -1.392 8.721 1.00 0.00 WT1 H ATOM 9895 OH2 TIP3 2410 -0.682 10.967 2.083 1.00 0.00 WT1 O ATOM 9896 H1 TIP3 2410 -1.534 -3.480 7.017 1.00 0.00 WT1 H ATOM 9897 H2 TIP3 2410 2.082 4.475 -2.032 1.00 0.00 WT1 H ATOM 9898 OH2 TIP3 2411 4.794 3.090 -0.618 1.00 0.00 WT1 O ATOM 9899 H1 TIP3 2411 6.516 -5.110 -7.511 1.00 0.00 WT1 H ATOM 9900 H2 TIP3 2411 6.993 0.897 1.603 1.00 0.00 WT1 H ATOM 9901 OH2 TIP3 2412 -0.087 1.376 -7.236 1.00 0.00 WT1 O ATOM 9902 H1 TIP3 2412 19.963 19.953 -17.303 1.00 0.00 WT1 H ATOM 9903 H2 TIP3 2412 6.486 6.730 -9.718 1.00 0.00 WT1 H ATOM 9904 OH2 TIP3 2413 -0.562 -2.736 -0.430 1.00 0.00 WT1 O ATOM 9905 H1 TIP3 2413 -9.598 9.886 -0.098 1.00 0.00 WT1 H ATOM 9906 H2 TIP3 2413 0.392 -6.736 -14.132 1.00 0.00 WT1 H ATOM 9907 OH2 TIP3 2414 6.632 6.398 -0.120 1.00 0.00 WT1 O ATOM 9908 H1 TIP3 2414 21.642 -21.412 -15.958 1.00 0.00 WT1 H ATOM 9909 H2 TIP3 2414 1.123 -5.928 4.687 1.00 0.00 WT1 H ATOM 9910 OH2 TIP3 2415 0.391 -4.831 -4.463 1.00 0.00 WT1 O ATOM 9911 H1 TIP3 2415 -4.299 14.953 -6.036 1.00 0.00 WT1 H ATOM 9912 H2 TIP3 2415 -7.083 -13.411 -27.903 1.00 0.00 WT1 H ATOM 9913 OH2 TIP3 2416 -0.555 -2.197 7.280 1.00 0.00 WT1 O ATOM 9914 H1 TIP3 2416 0.912 0.651 5.349 1.00 0.00 WT1 H ATOM 9915 H2 TIP3 2416 -0.052 1.328 6.141 1.00 0.00 WT1 H ATOM 9916 OH2 TIP3 2417 -4.360 1.231 -2.836 1.00 0.00 WT1 O ATOM 9917 H1 TIP3 2417 -11.230 -12.257 -8.686 1.00 0.00 WT1 H ATOM 9918 H2 TIP3 2417 -0.384 13.056 5.526 1.00 0.00 WT1 H ATOM 9919 OH2 TIP3 2418 1.291 0.471 5.317 1.00 0.00 WT1 O ATOM 9920 H1 TIP3 2418 13.028 -0.899 -1.666 1.00 0.00 WT1 H ATOM 9921 H2 TIP3 2418 7.246 -0.467 3.141 1.00 0.00 WT1 H ATOM 9922 OH2 TIP3 2419 -7.568 1.903 -2.281 1.00 0.00 WT1 O ATOM 9923 H1 TIP3 2419 7.090 -2.843 12.421 1.00 0.00 WT1 H ATOM 9924 H2 TIP3 2419 -5.431 22.200 -7.832 1.00 0.00 WT1 H ATOM 9925 OH2 TIP3 2420 0.514 2.299 -4.434 1.00 0.00 WT1 O ATOM 9926 H1 TIP3 2420 8.169 5.381 -0.970 1.00 0.00 WT1 H ATOM 9927 H2 TIP3 2420 0.689 -0.958 -10.659 1.00 0.00 WT1 H ATOM 9928 OH2 TIP3 2421 -9.062 10.029 -5.557 1.00 0.00 WT1 O ATOM 9929 H1 TIP3 2421 -12.112 -7.122 -1.963 1.00 0.00 WT1 H ATOM 9930 H2 TIP3 2421 -6.935 10.997 -8.958 1.00 0.00 WT1 H ATOM 9931 OH2 TIP3 2422 -3.404 0.946 0.657 1.00 0.00 WT1 O ATOM 9932 H1 TIP3 2422 3.108 5.836 -22.643 1.00 0.00 WT1 H ATOM 9933 H2 TIP3 2422 -13.955 -8.702 -0.513 1.00 0.00 WT1 H ATOM 9934 OH2 TIP3 2423 1.893 2.847 -0.843 1.00 0.00 WT1 O ATOM 9935 H1 TIP3 2423 1.955 7.297 14.068 1.00 0.00 WT1 H ATOM 9936 H2 TIP3 2423 -17.577 10.997 -5.303 1.00 0.00 WT1 H ATOM 9937 OH2 TIP3 2425 -1.476 3.461 -2.587 1.00 0.00 WT1 O ATOM 9938 H1 TIP3 2425 0.640 4.771 -10.379 1.00 0.00 WT1 H ATOM 9939 H2 TIP3 2425 -10.074 2.892 -0.712 1.00 0.00 WT1 H ATOM 9940 OH2 TIP3 2426 1.594 2.370 0.257 1.00 0.00 WT1 O ATOM 9941 H1 TIP3 2426 13.098 2.482 -4.864 1.00 0.00 WT1 H ATOM 9942 H2 TIP3 2426 12.992 -22.983 3.910 1.00 0.00 WT1 H ATOM 9943 OH2 TIP3 2427 -7.675 -6.886 -3.406 1.00 0.00 WT1 O ATOM 9944 H1 TIP3 2427 -6.161 -6.455 -3.482 1.00 0.00 WT1 H ATOM 9945 H2 TIP3 2427 -8.365 -6.106 -1.478 1.00 0.00 WT1 H ATOM 9946 OH2 TIP3 2429 3.204 -0.754 0.717 1.00 0.00 WT1 O ATOM 9947 H1 TIP3 2429 -6.352 4.130 4.833 1.00 0.00 WT1 H ATOM 9948 H2 TIP3 2429 4.269 9.717 4.859 1.00 0.00 WT1 H ATOM 9949 OH2 TIP3 2430 3.179 -0.382 -2.416 1.00 0.00 WT1 O ATOM 9950 H1 TIP3 2430 5.623 17.010 4.428 1.00 0.00 WT1 H ATOM 9951 H2 TIP3 2430 22.139 -16.624 3.400 1.00 0.00 WT1 H ATOM 9952 OH2 TIP3 2431 5.934 -4.919 2.716 1.00 0.00 WT1 O ATOM 9953 H1 TIP3 2431 20.317 4.333 -7.586 1.00 0.00 WT1 H ATOM 9954 H2 TIP3 2431 22.191 7.802 -11.811 1.00 0.00 WT1 H ATOM 9955 OH2 TIP3 2432 1.574 -4.035 1.495 1.00 0.00 WT1 O ATOM 9956 H1 TIP3 2432 0.558 33.655 29.868 1.00 0.00 WT1 H ATOM 9957 H2 TIP3 2432 4.063 -17.284 -13.197 1.00 0.00 WT1 H ATOM 9958 OH2 TIP3 2433 3.609 0.001 -8.062 1.00 0.00 WT1 O ATOM 9959 H1 TIP3 2433 2.747 0.002 -5.960 1.00 0.00 WT1 H ATOM 9960 H2 TIP3 2433 4.132 -5.664 -5.137 1.00 0.00 WT1 H ATOM 9961 OH2 TIP3 2434 -2.599 -0.509 3.176 1.00 0.00 WT1 O ATOM 9962 H1 TIP3 2434 -8.637 13.300 3.804 1.00 0.00 WT1 H ATOM 9963 H2 TIP3 2434 -8.290 -19.447 1.839 1.00 0.00 WT1 H ATOM 9964 OH2 TIP3 2435 -4.927 2.241 5.233 1.00 0.00 WT1 O ATOM 9965 H1 TIP3 2435 -0.371 -17.411 -12.779 1.00 0.00 WT1 H ATOM 9966 H2 TIP3 2435 0.202 -20.561 -21.535 1.00 0.00 WT1 H ATOM 9967 OH2 TIP3 2436 10.051 -2.873 -4.732 1.00 0.00 WT1 O ATOM 9968 H1 TIP3 2436 -14.401 -1.102 -0.976 1.00 0.00 WT1 H ATOM 9969 H2 TIP3 2436 10.714 16.025 -17.146 1.00 0.00 WT1 H ATOM 9970 OH2 TIP3 2437 0.907 -3.161 -0.877 1.00 0.00 WT1 O ATOM 9971 H1 TIP3 2437 35.987 -2.211 -11.005 1.00 0.00 WT1 H ATOM 9972 H2 TIP3 2437 -7.798 -8.765 -18.269 1.00 0.00 WT1 H ATOM 9973 OH2 TIP3 2438 7.773 1.740 0.164 1.00 0.00 WT1 O ATOM 9974 H1 TIP3 2438 -0.949 1.424 1.343 1.00 0.00 WT1 H ATOM 9975 H2 TIP3 2438 10.333 12.992 -7.814 1.00 0.00 WT1 H ATOM 9976 OH2 TIP3 2439 -7.153 0.843 1.814 1.00 0.00 WT1 O ATOM 9977 H1 TIP3 2439 -2.354 -1.525 4.043 1.00 0.00 WT1 H ATOM 9978 H2 TIP3 2439 -21.132 3.241 3.277 1.00 0.00 WT1 H ATOM 9979 OH2 TIP3 2440 7.321 3.345 4.773 1.00 0.00 WT1 O ATOM 9980 H1 TIP3 2440 -7.000 -3.414 -5.360 1.00 0.00 WT1 H ATOM 9981 H2 TIP3 2440 13.663 6.897 8.971 1.00 0.00 WT1 H ATOM 9982 OH2 TIP3 2441 -5.583 1.632 -1.785 1.00 0.00 WT1 O ATOM 9983 H1 TIP3 2441 -0.665 0.520 1.154 1.00 0.00 WT1 H ATOM 9984 H2 TIP3 2441 -14.864 7.065 -9.723 1.00 0.00 WT1 H ATOM 9985 OH2 TIP3 2442 -5.166 4.927 4.588 1.00 0.00 WT1 O ATOM 9986 H1 TIP3 2442 1.876 9.942 -1.822 1.00 0.00 WT1 H ATOM 9987 H2 TIP3 2442 -12.073 12.080 14.025 1.00 0.00 WT1 H ATOM 9988 OH2 TIP3 2443 1.026 3.480 -2.939 1.00 0.00 WT1 O ATOM 9989 H1 TIP3 2443 10.406 15.462 8.738 1.00 0.00 WT1 H ATOM 9990 H2 TIP3 2443 6.170 16.061 11.897 1.00 0.00 WT1 H ATOM 9991 OH2 TIP3 2444 -1.168 2.282 3.745 1.00 0.00 WT1 O ATOM 9992 H1 TIP3 2444 -2.793 -20.216 0.824 1.00 0.00 WT1 H ATOM 9993 H2 TIP3 2444 2.858 12.048 25.247 1.00 0.00 WT1 H ATOM 9994 OH2 TIP3 2447 4.117 -0.416 2.863 1.00 0.00 WT1 O ATOM 9995 H1 TIP3 2447 -0.463 4.141 1.157 1.00 0.00 WT1 H ATOM 9996 H2 TIP3 2447 4.249 -7.569 3.213 1.00 0.00 WT1 H ATOM 9997 OH2 TIP3 2449 5.358 1.317 7.906 1.00 0.00 WT1 O ATOM 9998 H1 TIP3 2449 -13.095 20.609 3.913 1.00 0.00 WT1 H ATOM 9999 H2 TIP3 2449 4.686 2.247 6.697 1.00 0.00 WT1 H ATOM 10000 OH2 TIP3 2451 -5.727 4.939 -3.696 1.00 0.00 WT1 O ATOM 10001 H1 TIP3 2451 -7.063 6.664 -16.649 1.00 0.00 WT1 H ATOM 10002 H2 TIP3 2451 -18.448 -1.698 18.202 1.00 0.00 WT1 H ATOM 10003 OH2 TIP3 2453 2.144 -0.190 8.925 1.00 0.00 WT1 O ATOM 10004 H1 TIP3 2453 -15.040 6.272 36.146 1.00 0.00 WT1 H ATOM 10005 H2 TIP3 2453 -7.037 -20.761 -12.199 1.00 0.00 WT1 H ATOM 10006 OH2 TIP3 2455 -3.401 -5.288 -6.467 1.00 0.00 WT1 O ATOM 10007 H1 TIP3 2455 4.091 10.858 2.760 1.00 0.00 WT1 H ATOM 10008 H2 TIP3 2455 -3.179 -5.244 -21.547 1.00 0.00 WT1 H ATOM 10009 OH2 TIP3 2456 0.748 1.627 2.025 1.00 0.00 WT1 O ATOM 10010 H1 TIP3 2456 -0.908 -16.468 -9.240 1.00 0.00 WT1 H ATOM 10011 H2 TIP3 2456 -18.017 -15.872 30.900 1.00 0.00 WT1 H ATOM 10012 OH2 TIP3 2457 7.479 12.243 1.578 1.00 0.00 WT1 O ATOM 10013 H1 TIP3 2457 -2.668 10.250 -3.397 1.00 0.00 WT1 H ATOM 10014 H2 TIP3 2457 -8.296 2.451 -0.951 1.00 0.00 WT1 H ATOM 10015 OH2 TIP3 2458 -1.151 -7.366 -4.761 1.00 0.00 WT1 O ATOM 10016 H1 TIP3 2458 3.570 14.192 -2.236 1.00 0.00 WT1 H ATOM 10017 H2 TIP3 2458 6.066 7.394 -4.689 1.00 0.00 WT1 H ATOM 10018 OH2 TIP3 2459 2.708 3.192 2.329 1.00 0.00 WT1 O ATOM 10019 H1 TIP3 2459 -10.180 9.686 15.056 1.00 0.00 WT1 H ATOM 10020 H2 TIP3 2459 -8.191 11.297 -2.752 1.00 0.00 WT1 H ATOM 10021 OH2 TIP3 2460 2.551 -2.285 1.694 1.00 0.00 WT1 O ATOM 10022 H1 TIP3 2460 22.386 -2.826 6.099 1.00 0.00 WT1 H ATOM 10023 H2 TIP3 2460 5.958 -3.244 9.422 1.00 0.00 WT1 H ATOM 10024 OH2 TIP3 2461 -2.589 -1.436 -0.432 1.00 0.00 WT1 O ATOM 10025 H1 TIP3 2461 -0.263 -3.951 7.294 1.00 0.00 WT1 H ATOM 10026 H2 TIP3 2461 -7.310 4.666 -0.447 1.00 0.00 WT1 H ATOM 10027 OH2 TIP3 2462 -3.847 2.338 7.604 1.00 0.00 WT1 O ATOM 10028 H1 TIP3 2462 10.252 23.605 3.567 1.00 0.00 WT1 H ATOM 10029 H2 TIP3 2462 4.498 -9.613 -11.698 1.00 0.00 WT1 H ATOM 10030 OH2 TIP3 2463 2.532 -6.366 -0.497 1.00 0.00 WT1 O ATOM 10031 H1 TIP3 2463 -17.876 -6.259 4.499 1.00 0.00 WT1 H ATOM 10032 H2 TIP3 2463 -12.359 -1.256 -13.069 1.00 0.00 WT1 H ATOM 10033 OH2 TIP3 2464 6.161 -3.000 -2.943 1.00 0.00 WT1 O ATOM 10034 H1 TIP3 2464 0.357 0.553 -7.996 1.00 0.00 WT1 H ATOM 10035 H2 TIP3 2464 8.030 -0.867 -4.409 1.00 0.00 WT1 H ATOM 10036 OH2 TIP3 2465 1.557 -9.691 -2.416 1.00 0.00 WT1 O ATOM 10037 H1 TIP3 2465 27.391 -20.221 -15.021 1.00 0.00 WT1 H ATOM 10038 H2 TIP3 2465 -29.692 11.359 -11.087 1.00 0.00 WT1 H ATOM 10039 OH2 TIP3 2467 10.662 -2.720 -0.629 1.00 0.00 WT1 O ATOM 10040 H1 TIP3 2467 11.140 -7.289 -16.322 1.00 0.00 WT1 H ATOM 10041 H2 TIP3 2467 -4.282 -2.753 18.222 1.00 0.00 WT1 H ATOM 10042 OH2 TIP3 2468 -2.285 1.449 0.976 1.00 0.00 WT1 O ATOM 10043 H1 TIP3 2468 -0.221 17.173 -3.329 1.00 0.00 WT1 H ATOM 10044 H2 TIP3 2468 -25.393 11.076 -17.519 1.00 0.00 WT1 H ATOM 10045 OH2 TIP3 2469 -0.170 3.404 1.245 1.00 0.00 WT1 O ATOM 10046 H1 TIP3 2469 -11.744 -5.530 0.227 1.00 0.00 WT1 H ATOM 10047 H2 TIP3 2469 1.858 3.250 18.264 1.00 0.00 WT1 H ATOM 10048 OH2 TIP3 2470 -0.771 8.365 -7.159 1.00 0.00 WT1 O ATOM 10049 H1 TIP3 2470 -7.223 19.502 -9.628 1.00 0.00 WT1 H ATOM 10050 H2 TIP3 2470 -4.932 5.142 5.979 1.00 0.00 WT1 H ATOM 10051 OH2 TIP3 2471 -3.229 3.444 7.598 1.00 0.00 WT1 O ATOM 10052 H1 TIP3 2471 -28.190 -8.887 22.272 1.00 0.00 WT1 H ATOM 10053 H2 TIP3 2471 -20.198 -4.637 12.844 1.00 0.00 WT1 H ATOM 10054 OH2 TIP3 2472 1.335 -0.289 -10.336 1.00 0.00 WT1 O ATOM 10055 H1 TIP3 2472 -18.456 12.311 0.566 1.00 0.00 WT1 H ATOM 10056 H2 TIP3 2472 16.598 28.066 -3.554 1.00 0.00 WT1 H ATOM 10057 OH2 TIP3 2473 1.492 -1.590 5.424 1.00 0.00 WT1 O ATOM 10058 H1 TIP3 2473 -4.316 -21.539 5.086 1.00 0.00 WT1 H ATOM 10059 H2 TIP3 2473 9.645 10.119 2.966 1.00 0.00 WT1 H ATOM 10060 OH2 TIP3 2474 0.475 -3.659 -0.309 1.00 0.00 WT1 O ATOM 10061 H1 TIP3 2474 13.894 10.136 1.839 1.00 0.00 WT1 H ATOM 10062 H2 TIP3 2474 -12.246 -3.720 11.003 1.00 0.00 WT1 H ATOM 10063 OH2 TIP3 2475 -0.145 1.331 3.498 1.00 0.00 WT1 O ATOM 10064 H1 TIP3 2475 10.172 5.834 -3.135 1.00 0.00 WT1 H ATOM 10065 H2 TIP3 2475 -18.241 -13.485 10.902 1.00 0.00 WT1 H ATOM 10066 OH2 TIP3 2476 -0.265 -1.561 7.966 1.00 0.00 WT1 O ATOM 10067 H1 TIP3 2476 9.636 -22.640 7.737 1.00 0.00 WT1 H ATOM 10068 H2 TIP3 2476 -23.424 -8.202 4.329 1.00 0.00 WT1 H ATOM 10069 OH2 TIP3 2479 0.984 -1.360 0.835 1.00 0.00 WT1 O ATOM 10070 H1 TIP3 2479 -1.999 2.885 0.387 1.00 0.00 WT1 H ATOM 10071 H2 TIP3 2479 -7.933 -15.469 6.678 1.00 0.00 WT1 H ATOM 10072 OH2 TIP3 2480 -6.232 4.082 -2.780 1.00 0.00 WT1 O ATOM 10073 H1 TIP3 2480 -1.814 -9.231 17.391 1.00 0.00 WT1 H ATOM 10074 H2 TIP3 2480 -2.800 -1.086 2.589 1.00 0.00 WT1 H ATOM 10075 OH2 TIP3 2481 -1.017 3.533 -0.079 1.00 0.00 WT1 O ATOM 10076 H1 TIP3 2481 1.067 13.286 -7.091 1.00 0.00 WT1 H ATOM 10077 H2 TIP3 2481 -3.527 -1.435 3.520 1.00 0.00 WT1 H ATOM 10078 OH2 TIP3 2482 0.826 0.026 4.906 1.00 0.00 WT1 O ATOM 10079 H1 TIP3 2482 -12.403 -3.447 -10.527 1.00 0.00 WT1 H ATOM 10080 H2 TIP3 2482 -1.074 19.750 8.563 1.00 0.00 WT1 H ATOM 10081 OH2 TIP3 2483 -1.208 3.400 3.643 1.00 0.00 WT1 O ATOM 10082 H1 TIP3 2483 1.644 -25.995 -10.318 1.00 0.00 WT1 H ATOM 10083 H2 TIP3 2483 -2.090 23.301 -10.500 1.00 0.00 WT1 H ATOM 10084 OH2 TIP3 2484 -7.702 3.753 -7.260 1.00 0.00 WT1 O ATOM 10085 H1 TIP3 2484 31.453 8.838 3.462 1.00 0.00 WT1 H ATOM 10086 H2 TIP3 2484 -18.255 31.972 0.429 1.00 0.00 WT1 H ATOM 10087 OH2 TIP3 2487 -3.563 -8.028 1.524 1.00 0.00 WT1 O ATOM 10088 H1 TIP3 2487 14.495 -6.256 -20.187 1.00 0.00 WT1 H ATOM 10089 H2 TIP3 2487 -21.466 -9.652 -5.517 1.00 0.00 WT1 H ATOM 10090 OH2 TIP3 2488 -0.455 -9.337 1.405 1.00 0.00 WT1 O ATOM 10091 H1 TIP3 2488 -4.355 -8.075 3.683 1.00 0.00 WT1 H ATOM 10092 H2 TIP3 2488 4.493 0.374 -3.690 1.00 0.00 WT1 H ATOM 10093 OH2 TIP3 2489 1.946 -1.323 8.133 1.00 0.00 WT1 O ATOM 10094 H1 TIP3 2489 33.303 9.140 -5.970 1.00 0.00 WT1 H ATOM 10095 H2 TIP3 2489 -14.021 -31.503 -3.656 1.00 0.00 WT1 H ATOM 10096 OH2 TIP3 2492 2.064 -1.200 2.184 1.00 0.00 WT1 O ATOM 10097 H1 TIP3 2492 3.769 -0.378 2.036 1.00 0.00 WT1 H ATOM 10098 H2 TIP3 2492 -1.130 -2.772 3.552 1.00 0.00 WT1 H ATOM 10099 OH2 TIP3 2493 1.677 -0.472 -7.012 1.00 0.00 WT1 O ATOM 10100 H1 TIP3 2493 -4.106 -0.990 -0.754 1.00 0.00 WT1 H ATOM 10101 H2 TIP3 2493 2.464 1.844 -6.676 1.00 0.00 WT1 H ATOM 10102 OH2 TIP3 2494 -1.054 -0.416 0.057 1.00 0.00 WT1 O ATOM 10103 H1 TIP3 2494 -6.448 8.473 45.030 1.00 0.00 WT1 H ATOM 10104 H2 TIP3 2494 -0.492 -1.549 -1.105 1.00 0.00 WT1 H ATOM 10105 OH2 TIP3 2495 3.631 -7.115 -0.001 1.00 0.00 WT1 O ATOM 10106 H1 TIP3 2495 8.521 -11.733 -9.824 1.00 0.00 WT1 H ATOM 10107 H2 TIP3 2495 -4.061 3.344 9.862 1.00 0.00 WT1 H ATOM 10108 OH2 TIP3 2496 -3.470 -3.157 4.923 1.00 0.00 WT1 O ATOM 10109 H1 TIP3 2496 -26.337 -15.230 10.369 1.00 0.00 WT1 H ATOM 10110 H2 TIP3 2496 -2.985 -1.197 0.389 1.00 0.00 WT1 H ATOM 10111 OH2 TIP3 2497 3.229 5.238 -3.157 1.00 0.00 WT1 O ATOM 10112 H1 TIP3 2497 29.450 -10.490 4.785 1.00 0.00 WT1 H ATOM 10113 H2 TIP3 2497 -3.307 -8.242 -27.393 1.00 0.00 WT1 H ATOM 10114 OH2 TIP3 2498 7.731 -3.843 -0.791 1.00 0.00 WT1 O ATOM 10115 H1 TIP3 2498 7.739 16.939 4.851 1.00 0.00 WT1 H ATOM 10116 H2 TIP3 2498 13.778 46.338 -22.388 1.00 0.00 WT1 H ATOM 10117 OH2 TIP3 2499 -6.323 1.506 6.502 1.00 0.00 WT1 O ATOM 10118 H1 TIP3 2499 5.732 -12.443 16.702 1.00 0.00 WT1 H ATOM 10119 H2 TIP3 2499 -2.463 -0.885 -13.919 1.00 0.00 WT1 H ATOM 10120 OH2 TIP3 2500 1.906 -3.382 1.187 1.00 0.00 WT1 O ATOM 10121 H1 TIP3 2500 -5.396 0.208 -2.242 1.00 0.00 WT1 H ATOM 10122 H2 TIP3 2500 -0.404 1.243 -20.891 1.00 0.00 WT1 H ATOM 10123 OH2 TIP3 2501 2.659 -1.777 -3.401 1.00 0.00 WT1 O ATOM 10124 H1 TIP3 2501 9.353 -0.171 7.943 1.00 0.00 WT1 H ATOM 10125 H2 TIP3 2501 -15.144 -4.757 -34.778 1.00 0.00 WT1 H ATOM 10126 OH2 TIP3 2502 -7.528 3.352 -3.721 1.00 0.00 WT1 O ATOM 10127 H1 TIP3 2502 -12.178 -6.745 -6.413 1.00 0.00 WT1 H ATOM 10128 H2 TIP3 2502 -13.565 -5.542 -2.107 1.00 0.00 WT1 H ATOM 10129 OH2 TIP3 2503 1.123 2.900 -1.738 1.00 0.00 WT1 O ATOM 10130 H1 TIP3 2503 -15.272 -0.664 0.142 1.00 0.00 WT1 H ATOM 10131 H2 TIP3 2503 0.246 11.911 23.119 1.00 0.00 WT1 H ATOM 10132 OH2 TIP3 2505 -1.344 -3.569 -5.929 1.00 0.00 WT1 O ATOM 10133 H1 TIP3 2505 -18.338 7.428 4.260 1.00 0.00 WT1 H ATOM 10134 H2 TIP3 2505 24.863 -17.976 -17.687 1.00 0.00 WT1 H ATOM 10135 OH2 TIP3 2506 6.767 5.000 2.657 1.00 0.00 WT1 O ATOM 10136 H1 TIP3 2506 6.621 4.137 1.379 1.00 0.00 WT1 H ATOM 10137 H2 TIP3 2506 15.610 8.247 3.835 1.00 0.00 WT1 H ATOM 10138 OH2 TIP3 2508 3.154 6.065 0.095 1.00 0.00 WT1 O ATOM 10139 H1 TIP3 2508 13.345 3.411 7.297 1.00 0.00 WT1 H ATOM 10140 H2 TIP3 2508 1.485 -4.755 -3.117 1.00 0.00 WT1 H ATOM 10141 OH2 TIP3 2510 -1.346 1.143 1.957 1.00 0.00 WT1 O ATOM 10142 H1 TIP3 2510 10.108 11.353 4.428 1.00 0.00 WT1 H ATOM 10143 H2 TIP3 2510 -15.267 15.049 -3.746 1.00 0.00 WT1 H ATOM 10144 OH2 TIP3 2511 -1.338 3.588 0.439 1.00 0.00 WT1 O ATOM 10145 H1 TIP3 2511 -2.085 10.954 9.898 1.00 0.00 WT1 H ATOM 10146 H2 TIP3 2511 7.982 16.262 1.287 1.00 0.00 WT1 H ATOM 10147 OH2 TIP3 2512 3.061 0.119 -4.618 1.00 0.00 WT1 O ATOM 10148 H1 TIP3 2512 1.429 -4.680 4.520 1.00 0.00 WT1 H ATOM 10149 H2 TIP3 2512 -1.005 1.131 9.961 1.00 0.00 WT1 H ATOM 10150 OH2 TIP3 2515 -3.131 -4.495 -3.919 1.00 0.00 WT1 O ATOM 10151 H1 TIP3 2515 -11.031 1.005 -0.753 1.00 0.00 WT1 H ATOM 10152 H2 TIP3 2515 2.179 -6.994 -4.599 1.00 0.00 WT1 H ATOM 10153 OH2 TIP3 2517 6.290 -0.635 1.627 1.00 0.00 WT1 O ATOM 10154 H1 TIP3 2517 18.326 -1.186 -2.734 1.00 0.00 WT1 H ATOM 10155 H2 TIP3 2517 1.502 8.406 -6.521 1.00 0.00 WT1 H ATOM 10156 OH2 TIP3 2518 -1.781 0.538 8.734 1.00 0.00 WT1 O ATOM 10157 H1 TIP3 2518 3.538 -11.057 -7.769 1.00 0.00 WT1 H ATOM 10158 H2 TIP3 2518 3.189 -17.219 -20.784 1.00 0.00 WT1 H ATOM 10159 OH2 TIP3 2519 3.558 1.865 9.581 1.00 0.00 WT1 O ATOM 10160 H1 TIP3 2519 17.614 18.388 5.484 1.00 0.00 WT1 H ATOM 10161 H2 TIP3 2519 -11.946 -0.409 -13.417 1.00 0.00 WT1 H ATOM 10162 OH2 TIP3 2521 -6.843 -4.539 -0.535 1.00 0.00 WT1 O ATOM 10163 H1 TIP3 2521 3.067 2.954 30.292 1.00 0.00 WT1 H ATOM 10164 H2 TIP3 2521 -9.293 2.298 -3.679 1.00 0.00 WT1 H ATOM 10165 OH2 TIP3 2522 2.317 -6.577 -3.957 1.00 0.00 WT1 O ATOM 10166 H1 TIP3 2522 19.213 8.447 0.239 1.00 0.00 WT1 H ATOM 10167 H2 TIP3 2522 -14.575 -25.418 -13.106 1.00 0.00 WT1 H ATOM 10168 OH2 TIP3 2523 -1.562 7.053 -3.071 1.00 0.00 WT1 O ATOM 10169 H1 TIP3 2523 -37.946 -19.836 2.803 1.00 0.00 WT1 H ATOM 10170 H2 TIP3 2523 12.966 12.477 2.150 1.00 0.00 WT1 H ATOM 10171 OH2 TIP3 2525 3.974 -3.827 -1.245 1.00 0.00 WT1 O ATOM 10172 H1 TIP3 2525 0.721 3.303 -0.105 1.00 0.00 WT1 H ATOM 10173 H2 TIP3 2525 4.792 10.533 13.809 1.00 0.00 WT1 H ATOM 10174 OH2 TIP3 2526 -0.619 -0.430 0.386 1.00 0.00 WT1 O ATOM 10175 H1 TIP3 2526 -5.676 -14.991 11.957 1.00 0.00 WT1 H ATOM 10176 H2 TIP3 2526 -16.899 -15.150 -12.807 1.00 0.00 WT1 H ATOM 10177 OH2 TIP3 2527 0.955 5.089 1.292 1.00 0.00 WT1 O ATOM 10178 H1 TIP3 2527 2.852 3.865 -18.557 1.00 0.00 WT1 H ATOM 10179 H2 TIP3 2527 18.051 -15.818 9.318 1.00 0.00 WT1 H ATOM 10180 OH2 TIP3 2528 7.257 3.665 -0.591 1.00 0.00 WT1 O ATOM 10181 H1 TIP3 2528 0.183 3.860 0.729 1.00 0.00 WT1 H ATOM 10182 H2 TIP3 2528 -1.050 23.693 -6.916 1.00 0.00 WT1 H ATOM 10183 OH2 TIP3 2529 0.308 0.557 2.329 1.00 0.00 WT1 O ATOM 10184 H1 TIP3 2529 -6.671 -1.227 -8.875 1.00 0.00 WT1 H ATOM 10185 H2 TIP3 2529 -0.842 2.894 0.368 1.00 0.00 WT1 H ATOM 10186 OH2 TIP3 2530 0.093 5.452 -8.786 1.00 0.00 WT1 O ATOM 10187 H1 TIP3 2530 2.474 -9.791 -15.313 1.00 0.00 WT1 H ATOM 10188 H2 TIP3 2530 -10.986 -9.588 -14.351 1.00 0.00 WT1 H ATOM 10189 OH2 TIP3 2532 -3.297 -1.412 5.746 1.00 0.00 WT1 O ATOM 10190 H1 TIP3 2532 -21.814 -3.640 12.292 1.00 0.00 WT1 H ATOM 10191 H2 TIP3 2532 -5.795 -3.090 9.336 1.00 0.00 WT1 H ATOM 10192 OH2 TIP3 2533 -4.305 0.084 -0.663 1.00 0.00 WT1 O ATOM 10193 H1 TIP3 2533 -22.443 7.057 0.080 1.00 0.00 WT1 H ATOM 10194 H2 TIP3 2533 -14.382 -6.884 -16.944 1.00 0.00 WT1 H ATOM 10195 OH2 TIP3 2535 9.036 -0.395 1.618 1.00 0.00 WT1 O ATOM 10196 H1 TIP3 2535 -31.081 38.220 -19.254 1.00 0.00 WT1 H ATOM 10197 H2 TIP3 2535 12.011 -6.361 6.997 1.00 0.00 WT1 H ATOM 10198 OH2 TIP3 2536 1.235 1.075 -0.583 1.00 0.00 WT1 O ATOM 10199 H1 TIP3 2536 7.913 -5.341 -6.285 1.00 0.00 WT1 H ATOM 10200 H2 TIP3 2536 -16.220 1.215 5.745 1.00 0.00 WT1 H ATOM 10201 OH2 TIP3 2537 -4.430 -6.319 2.838 1.00 0.00 WT1 O ATOM 10202 H1 TIP3 2537 -9.432 -18.747 6.093 1.00 0.00 WT1 H ATOM 10203 H2 TIP3 2537 -7.579 -4.185 -11.803 1.00 0.00 WT1 H ATOM 10204 OH2 TIP3 2538 -1.763 1.252 5.407 1.00 0.00 WT1 O ATOM 10205 H1 TIP3 2538 -2.127 4.759 1.851 1.00 0.00 WT1 H ATOM 10206 H2 TIP3 2538 -5.666 -2.258 4.026 1.00 0.00 WT1 H ATOM 10207 OH2 TIP3 2539 1.590 -2.081 -1.431 1.00 0.00 WT1 O ATOM 10208 H1 TIP3 2539 12.826 9.278 2.094 1.00 0.00 WT1 H ATOM 10209 H2 TIP3 2539 -14.303 -22.051 -16.171 1.00 0.00 WT1 H ATOM 10210 OH2 TIP3 2540 -3.755 -3.570 2.233 1.00 0.00 WT1 O ATOM 10211 H1 TIP3 2540 11.246 -12.648 -7.560 1.00 0.00 WT1 H ATOM 10212 H2 TIP3 2540 -14.674 -5.958 -11.484 1.00 0.00 WT1 H ATOM 10213 OH2 TIP3 2541 -3.324 -6.176 -7.117 1.00 0.00 WT1 O ATOM 10214 H1 TIP3 2541 -6.040 -5.384 -8.066 1.00 0.00 WT1 H ATOM 10215 H2 TIP3 2541 -4.798 -4.040 -4.116 1.00 0.00 WT1 H ATOM 10216 OH2 TIP3 2542 -4.474 -2.580 -2.079 1.00 0.00 WT1 O ATOM 10217 H1 TIP3 2542 21.336 -7.477 5.878 1.00 0.00 WT1 H ATOM 10218 H2 TIP3 2542 11.882 -5.804 -7.981 1.00 0.00 WT1 H ATOM 10219 OH2 TIP3 2543 -1.654 -1.383 -4.311 1.00 0.00 WT1 O ATOM 10220 H1 TIP3 2543 5.867 -4.294 12.876 1.00 0.00 WT1 H ATOM 10221 H2 TIP3 2543 -3.162 -4.742 -5.179 1.00 0.00 WT1 H ATOM 10222 OH2 TIP3 2544 4.466 -5.931 -4.204 1.00 0.00 WT1 O ATOM 10223 H1 TIP3 2544 15.883 -9.276 14.388 1.00 0.00 WT1 H ATOM 10224 H2 TIP3 2544 -4.914 -3.037 -12.163 1.00 0.00 WT1 H ATOM 10225 OH2 TIP3 2545 -0.695 -3.555 4.249 1.00 0.00 WT1 O ATOM 10226 H1 TIP3 2545 -39.568 16.812 -2.467 1.00 0.00 WT1 H ATOM 10227 H2 TIP3 2545 17.727 -0.317 -17.511 1.00 0.00 WT1 H ATOM 10228 OH2 TIP3 2546 -3.784 -1.785 2.018 1.00 0.00 WT1 O ATOM 10229 H1 TIP3 2546 -4.442 -2.400 4.864 1.00 0.00 WT1 H ATOM 10230 H2 TIP3 2546 -1.437 6.832 2.837 1.00 0.00 WT1 H ATOM 10231 OH2 TIP3 2547 5.035 2.768 5.443 1.00 0.00 WT1 O ATOM 10232 H1 TIP3 2547 16.509 2.338 15.545 1.00 0.00 WT1 H ATOM 10233 H2 TIP3 2547 1.057 2.815 3.938 1.00 0.00 WT1 H ATOM 10234 OH2 TIP3 2548 -5.195 5.729 6.680 1.00 0.00 WT1 O ATOM 10235 H1 TIP3 2548 -11.382 5.272 3.922 1.00 0.00 WT1 H ATOM 10236 H2 TIP3 2548 -14.146 -2.130 -12.191 1.00 0.00 WT1 H ATOM 10237 OH2 TIP3 2549 8.480 -1.563 5.487 1.00 0.00 WT1 O ATOM 10238 H1 TIP3 2549 4.909 2.066 11.397 1.00 0.00 WT1 H ATOM 10239 H2 TIP3 2549 2.084 5.344 6.074 1.00 0.00 WT1 H ATOM 10240 OH2 TIP3 2550 0.540 -0.212 1.146 1.00 0.00 WT1 O ATOM 10241 H1 TIP3 2550 -36.144 -10.734 -4.046 1.00 0.00 WT1 H ATOM 10242 H2 TIP3 2550 11.207 -1.296 -12.616 1.00 0.00 WT1 H ATOM 10243 OH2 TIP3 2551 -2.026 -1.492 1.599 1.00 0.00 WT1 O ATOM 10244 H1 TIP3 2551 -9.245 10.693 -5.734 1.00 0.00 WT1 H ATOM 10245 H2 TIP3 2551 -14.380 -2.095 -2.746 1.00 0.00 WT1 H ATOM 10246 OH2 TIP3 2552 6.457 -1.758 -2.918 1.00 0.00 WT1 O ATOM 10247 H1 TIP3 2552 2.748 1.228 2.669 1.00 0.00 WT1 H ATOM 10248 H2 TIP3 2552 6.053 16.363 17.699 1.00 0.00 WT1 H ATOM 10249 OH2 TIP3 2553 -1.445 -1.710 8.580 1.00 0.00 WT1 O ATOM 10250 H1 TIP3 2553 -1.481 4.839 -4.565 1.00 0.00 WT1 H ATOM 10251 H2 TIP3 2553 3.704 -17.299 13.596 1.00 0.00 WT1 H ATOM 10252 OH2 TIP3 2554 4.014 -6.047 -6.124 1.00 0.00 WT1 O ATOM 10253 H1 TIP3 2554 1.866 -9.455 11.911 1.00 0.00 WT1 H ATOM 10254 H2 TIP3 2554 -4.825 4.489 -10.494 1.00 0.00 WT1 H ATOM 10255 OH2 TIP3 2556 -8.427 -0.390 -3.636 1.00 0.00 WT1 O ATOM 10256 H1 TIP3 2556 -3.461 9.366 2.038 1.00 0.00 WT1 H ATOM 10257 H2 TIP3 2556 -5.442 6.126 -1.026 1.00 0.00 WT1 H ATOM 10258 OH2 TIP3 2557 -2.935 -10.103 2.570 1.00 0.00 WT1 O ATOM 10259 H1 TIP3 2557 8.039 -21.164 -3.671 1.00 0.00 WT1 H ATOM 10260 H2 TIP3 2557 -8.326 -8.923 3.099 1.00 0.00 WT1 H ATOM 10261 OH2 TIP3 2559 0.374 -9.195 3.120 1.00 0.00 WT1 O ATOM 10262 H1 TIP3 2559 11.405 -4.479 0.153 1.00 0.00 WT1 H ATOM 10263 H2 TIP3 2559 -7.224 -13.746 4.497 1.00 0.00 WT1 H ATOM 10264 OH2 TIP3 2560 -4.901 0.663 -7.524 1.00 0.00 WT1 O ATOM 10265 H1 TIP3 2560 -7.281 -1.367 -3.809 1.00 0.00 WT1 H ATOM 10266 H2 TIP3 2560 -1.587 1.859 -11.172 1.00 0.00 WT1 H ATOM 10267 OH2 TIP3 2561 1.528 2.871 -3.869 1.00 0.00 WT1 O ATOM 10268 H1 TIP3 2561 4.700 -15.608 -7.941 1.00 0.00 WT1 H ATOM 10269 H2 TIP3 2561 -3.569 23.997 2.528 1.00 0.00 WT1 H ATOM 10270 OH2 TIP3 2562 1.042 -0.848 -2.581 1.00 0.00 WT1 O ATOM 10271 H1 TIP3 2562 -16.726 -2.029 -16.520 1.00 0.00 WT1 H ATOM 10272 H2 TIP3 2562 -2.633 -8.903 -29.386 1.00 0.00 WT1 H ATOM 10273 OH2 TIP3 2563 -3.314 6.693 8.417 1.00 0.00 WT1 O ATOM 10274 H1 TIP3 2563 4.972 -0.394 -1.321 1.00 0.00 WT1 H ATOM 10275 H2 TIP3 2563 -0.040 12.471 17.196 1.00 0.00 WT1 H ATOM 10276 OH2 TIP3 2564 -5.556 -1.111 -1.248 1.00 0.00 WT1 O ATOM 10277 H1 TIP3 2564 -12.925 -13.055 -10.838 1.00 0.00 WT1 H ATOM 10278 H2 TIP3 2564 -24.990 -0.667 7.657 1.00 0.00 WT1 H ATOM 10279 OH2 TIP3 2565 1.713 3.865 1.610 1.00 0.00 WT1 O ATOM 10280 H1 TIP3 2565 -4.009 -7.761 22.496 1.00 0.00 WT1 H ATOM 10281 H2 TIP3 2565 4.249 -12.418 -13.749 1.00 0.00 WT1 H ATOM 10282 OH2 TIP3 2566 3.474 -5.139 -2.764 1.00 0.00 WT1 O ATOM 10283 H1 TIP3 2566 12.554 16.257 16.376 1.00 0.00 WT1 H ATOM 10284 H2 TIP3 2566 14.676 -21.324 -9.183 1.00 0.00 WT1 H ATOM 10285 OH2 TIP3 2567 1.675 2.425 -1.084 1.00 0.00 WT1 O ATOM 10286 H1 TIP3 2567 2.487 4.153 2.159 1.00 0.00 WT1 H ATOM 10287 H2 TIP3 2567 -8.723 17.719 -7.556 1.00 0.00 WT1 H ATOM 10288 OH2 TIP3 2568 -7.599 1.049 -2.014 1.00 0.00 WT1 O ATOM 10289 H1 TIP3 2568 -12.110 13.362 4.931 1.00 0.00 WT1 H ATOM 10290 H2 TIP3 2568 22.370 -4.515 15.649 1.00 0.00 WT1 H ATOM 10291 OH2 TIP3 2569 -0.888 -0.612 10.303 1.00 0.00 WT1 O ATOM 10292 H1 TIP3 2569 1.166 -0.270 3.298 1.00 0.00 WT1 H ATOM 10293 H2 TIP3 2569 4.790 -5.693 7.363 1.00 0.00 WT1 H ATOM 10294 OH2 TIP3 2570 -0.940 -0.189 0.409 1.00 0.00 WT1 O ATOM 10295 H1 TIP3 2570 4.573 2.787 17.810 1.00 0.00 WT1 H ATOM 10296 H2 TIP3 2570 13.777 -9.673 -5.571 1.00 0.00 WT1 H ATOM 10297 OH2 TIP3 2571 3.783 6.598 1.415 1.00 0.00 WT1 O ATOM 10298 H1 TIP3 2571 2.238 1.302 14.899 1.00 0.00 WT1 H ATOM 10299 H2 TIP3 2571 -3.445 2.689 2.069 1.00 0.00 WT1 H ATOM 10300 OH2 TIP3 2572 -11.843 1.397 0.302 1.00 0.00 WT1 O ATOM 10301 H1 TIP3 2572 6.063 3.742 -27.052 1.00 0.00 WT1 H ATOM 10302 H2 TIP3 2572 -19.929 8.463 23.872 1.00 0.00 WT1 H ATOM 10303 OH2 TIP3 2573 -3.438 -1.494 -2.533 1.00 0.00 WT1 O ATOM 10304 H1 TIP3 2573 -15.677 -7.833 1.406 1.00 0.00 WT1 H ATOM 10305 H2 TIP3 2573 8.792 6.844 -5.531 1.00 0.00 WT1 H ATOM 10306 OH2 TIP3 2574 -1.412 -7.187 -1.296 1.00 0.00 WT1 O ATOM 10307 H1 TIP3 2574 -12.173 -5.786 10.561 1.00 0.00 WT1 H ATOM 10308 H2 TIP3 2574 12.178 -15.171 -11.819 1.00 0.00 WT1 H ATOM 10309 OH2 TIP3 2577 0.677 -3.485 -3.531 1.00 0.00 WT1 O ATOM 10310 H1 TIP3 2577 1.987 -1.706 5.019 1.00 0.00 WT1 H ATOM 10311 H2 TIP3 2577 -16.216 -0.413 -17.929 1.00 0.00 WT1 H ATOM 10312 OH2 TIP3 2578 1.891 -1.104 -0.504 1.00 0.00 WT1 O ATOM 10313 H1 TIP3 2578 -27.857 -0.202 -23.229 1.00 0.00 WT1 H ATOM 10314 H2 TIP3 2578 -11.180 -9.584 3.886 1.00 0.00 WT1 H ATOM 10315 OH2 TIP3 2580 2.623 2.350 6.273 1.00 0.00 WT1 O ATOM 10316 H1 TIP3 2580 5.251 6.802 7.719 1.00 0.00 WT1 H ATOM 10317 H2 TIP3 2580 2.068 -19.383 17.382 1.00 0.00 WT1 H ATOM 10318 OH2 TIP3 2581 4.364 -4.471 -0.209 1.00 0.00 WT1 O ATOM 10319 H1 TIP3 2581 15.263 -3.129 2.473 1.00 0.00 WT1 H ATOM 10320 H2 TIP3 2581 -7.824 5.536 4.527 1.00 0.00 WT1 H ATOM 10321 OH2 TIP3 2582 -9.710 -4.453 -1.584 1.00 0.00 WT1 O ATOM 10322 H1 TIP3 2582 -20.455 -6.145 -0.191 1.00 0.00 WT1 H ATOM 10323 H2 TIP3 2582 -29.337 -2.871 -0.650 1.00 0.00 WT1 H ATOM 10324 OH2 TIP3 2583 0.810 1.405 2.167 1.00 0.00 WT1 O ATOM 10325 H1 TIP3 2583 9.543 4.712 -4.476 1.00 0.00 WT1 H ATOM 10326 H2 TIP3 2583 2.763 -0.476 -2.480 1.00 0.00 WT1 H ATOM 10327 OH2 TIP3 2584 1.724 1.860 -3.676 1.00 0.00 WT1 O ATOM 10328 H1 TIP3 2584 -0.086 -8.438 18.683 1.00 0.00 WT1 H ATOM 10329 H2 TIP3 2584 -1.246 16.969 -6.626 1.00 0.00 WT1 H ATOM 10330 OH2 TIP3 2585 1.217 4.364 5.475 1.00 0.00 WT1 O ATOM 10331 H1 TIP3 2585 -4.414 2.426 4.631 1.00 0.00 WT1 H ATOM 10332 H2 TIP3 2585 0.338 -6.093 4.221 1.00 0.00 WT1 H ATOM 10333 OH2 TIP3 2587 -4.044 8.704 1.226 1.00 0.00 WT1 O ATOM 10334 H1 TIP3 2587 -1.661 -2.796 7.626 1.00 0.00 WT1 H ATOM 10335 H2 TIP3 2587 -10.146 17.803 9.600 1.00 0.00 WT1 H ATOM 10336 OH2 TIP3 2588 7.446 1.437 0.273 1.00 0.00 WT1 O ATOM 10337 H1 TIP3 2588 22.585 -4.318 -2.165 1.00 0.00 WT1 H ATOM 10338 H2 TIP3 2588 -20.767 15.000 6.312 1.00 0.00 WT1 H ATOM 10339 OH2 TIP3 2589 -1.047 -0.038 11.696 1.00 0.00 WT1 O ATOM 10340 H1 TIP3 2589 15.360 1.790 17.777 1.00 0.00 WT1 H ATOM 10341 H2 TIP3 2589 -15.077 2.875 -11.306 1.00 0.00 WT1 H ATOM 10342 OH2 TIP3 2590 -2.976 0.118 6.573 1.00 0.00 WT1 O ATOM 10343 H1 TIP3 2590 -6.746 3.679 16.562 1.00 0.00 WT1 H ATOM 10344 H2 TIP3 2590 12.505 -6.391 13.092 1.00 0.00 WT1 H ATOM 10345 OH2 TIP3 2591 -2.100 -2.197 5.466 1.00 0.00 WT1 O ATOM 10346 H1 TIP3 2591 0.938 -17.187 -20.090 1.00 0.00 WT1 H ATOM 10347 H2 TIP3 2591 -1.874 -0.662 7.264 1.00 0.00 WT1 H ATOM 10348 OH2 TIP3 2592 1.787 0.483 -5.846 1.00 0.00 WT1 O ATOM 10349 H1 TIP3 2592 -16.854 -7.832 -11.502 1.00 0.00 WT1 H ATOM 10350 H2 TIP3 2592 8.554 -0.588 -4.063 1.00 0.00 WT1 H ATOM 10351 OH2 TIP3 2594 -0.868 -5.595 -1.176 1.00 0.00 WT1 O ATOM 10352 H1 TIP3 2594 -9.150 -8.291 2.138 1.00 0.00 WT1 H ATOM 10353 H2 TIP3 2594 3.452 -1.251 -2.949 1.00 0.00 WT1 H ATOM 10354 OH2 TIP3 2595 3.060 -1.202 -5.505 1.00 0.00 WT1 O ATOM 10355 H1 TIP3 2595 3.358 -1.805 -11.620 1.00 0.00 WT1 H ATOM 10356 H2 TIP3 2595 3.243 4.537 -14.199 1.00 0.00 WT1 H ATOM 10357 OH2 TIP3 2597 0.763 -2.014 -5.619 1.00 0.00 WT1 O ATOM 10358 H1 TIP3 2597 -1.141 -6.072 -9.109 1.00 0.00 WT1 H ATOM 10359 H2 TIP3 2597 -6.081 -12.555 -4.073 1.00 0.00 WT1 H ATOM 10360 OH2 TIP3 2598 3.415 -4.869 3.910 1.00 0.00 WT1 O ATOM 10361 H1 TIP3 2598 2.381 -4.648 -9.664 1.00 0.00 WT1 H ATOM 10362 H2 TIP3 2598 1.234 -3.069 -11.670 1.00 0.00 WT1 H ATOM 10363 OH2 TIP3 2599 -4.511 -4.770 1.840 1.00 0.00 WT1 O ATOM 10364 H1 TIP3 2599 -1.611 13.752 -11.403 1.00 0.00 WT1 H ATOM 10365 H2 TIP3 2599 -9.840 -2.713 -0.981 1.00 0.00 WT1 H ATOM 10366 OH2 TIP3 2600 -5.258 -3.731 7.674 1.00 0.00 WT1 O ATOM 10367 H1 TIP3 2600 -11.301 -5.127 -2.976 1.00 0.00 WT1 H ATOM 10368 H2 TIP3 2600 2.674 -10.978 27.274 1.00 0.00 WT1 H ATOM 10369 OH2 TIP3 2601 3.882 -0.784 5.904 1.00 0.00 WT1 O ATOM 10370 H1 TIP3 2601 -0.020 6.429 20.339 1.00 0.00 WT1 H ATOM 10371 H2 TIP3 2601 -9.920 -10.029 1.692 1.00 0.00 WT1 H ATOM 10372 OH2 TIP3 2602 3.153 -2.748 -0.154 1.00 0.00 WT1 O ATOM 10373 H1 TIP3 2602 -5.531 -18.002 7.236 1.00 0.00 WT1 H ATOM 10374 H2 TIP3 2602 10.875 -3.877 -14.816 1.00 0.00 WT1 H ATOM 10375 OH2 TIP3 2603 -2.942 -1.651 0.037 1.00 0.00 WT1 O ATOM 10376 H1 TIP3 2603 1.752 2.708 -18.406 1.00 0.00 WT1 H ATOM 10377 H2 TIP3 2603 21.594 -0.101 -5.979 1.00 0.00 WT1 H ATOM 10378 OH2 TIP3 2605 -6.642 0.058 -6.445 1.00 0.00 WT1 O ATOM 10379 H1 TIP3 2605 -8.398 -6.949 -7.967 1.00 0.00 WT1 H ATOM 10380 H2 TIP3 2605 -6.201 3.807 -11.075 1.00 0.00 WT1 H ATOM 10381 OH2 TIP3 2606 1.802 -1.622 -5.305 1.00 0.00 WT1 O ATOM 10382 H1 TIP3 2606 2.416 1.157 7.590 1.00 0.00 WT1 H ATOM 10383 H2 TIP3 2606 1.331 5.684 16.258 1.00 0.00 WT1 H ATOM 10384 OH2 TIP3 2607 -1.259 4.902 -0.108 1.00 0.00 WT1 O ATOM 10385 H1 TIP3 2607 -21.985 -1.214 18.028 1.00 0.00 WT1 H ATOM 10386 H2 TIP3 2607 -4.417 17.563 -10.448 1.00 0.00 WT1 H ATOM 10387 OH2 TIP3 2608 -5.200 0.642 -3.706 1.00 0.00 WT1 O ATOM 10388 H1 TIP3 2608 -21.771 -15.474 5.964 1.00 0.00 WT1 H ATOM 10389 H2 TIP3 2608 -12.019 -3.629 -16.197 1.00 0.00 WT1 H ATOM 10390 OH2 TIP3 2609 5.030 1.842 2.719 1.00 0.00 WT1 O ATOM 10391 H1 TIP3 2609 14.967 5.657 0.973 1.00 0.00 WT1 H ATOM 10392 H2 TIP3 2609 28.872 11.844 -3.067 1.00 0.00 WT1 H ATOM 10393 OH2 TIP3 2610 3.787 1.342 6.209 1.00 0.00 WT1 O ATOM 10394 H1 TIP3 2610 5.865 -9.235 -23.767 1.00 0.00 WT1 H ATOM 10395 H2 TIP3 2610 1.750 -3.127 9.379 1.00 0.00 WT1 H ATOM 10396 OH2 TIP3 2611 0.761 3.828 -4.094 1.00 0.00 WT1 O ATOM 10397 H1 TIP3 2611 -24.189 10.720 5.090 1.00 0.00 WT1 H ATOM 10398 H2 TIP3 2611 -13.774 3.047 5.433 1.00 0.00 WT1 H ATOM 10399 OH2 TIP3 2612 -0.214 2.633 1.704 1.00 0.00 WT1 O ATOM 10400 H1 TIP3 2612 -0.986 0.476 4.031 1.00 0.00 WT1 H ATOM 10401 H2 TIP3 2612 0.155 0.731 4.331 1.00 0.00 WT1 H ATOM 10402 OH2 TIP3 2613 3.493 -4.919 -7.155 1.00 0.00 WT1 O ATOM 10403 H1 TIP3 2613 1.187 -8.116 -0.476 1.00 0.00 WT1 H ATOM 10404 H2 TIP3 2613 10.142 -1.831 -2.844 1.00 0.00 WT1 H ATOM 10405 OH2 TIP3 2614 4.658 -0.907 0.108 1.00 0.00 WT1 O ATOM 10406 H1 TIP3 2614 -25.657 6.918 6.624 1.00 0.00 WT1 H ATOM 10407 H2 TIP3 2614 -7.633 9.831 -1.200 1.00 0.00 WT1 H ATOM 10408 OH2 TIP3 2615 3.289 1.345 -3.283 1.00 0.00 WT1 O ATOM 10409 H1 TIP3 2615 4.208 10.185 -14.943 1.00 0.00 WT1 H ATOM 10410 H2 TIP3 2615 -23.999 -0.114 -2.250 1.00 0.00 WT1 H ATOM 10411 OH2 TIP3 2616 1.660 -1.767 -0.917 1.00 0.00 WT1 O ATOM 10412 H1 TIP3 2616 0.634 -5.903 -1.478 1.00 0.00 WT1 H ATOM 10413 H2 TIP3 2616 1.280 -3.846 3.401 1.00 0.00 WT1 H ATOM 10414 OH2 TIP3 2617 2.048 4.861 -0.977 1.00 0.00 WT1 O ATOM 10415 H1 TIP3 2617 10.176 1.680 -9.210 1.00 0.00 WT1 H ATOM 10416 H2 TIP3 2617 1.360 -12.914 12.434 1.00 0.00 WT1 H ATOM 10417 OH2 TIP3 2618 -1.090 1.020 -2.695 1.00 0.00 WT1 O ATOM 10418 H1 TIP3 2618 7.124 -6.271 2.939 1.00 0.00 WT1 H ATOM 10419 H2 TIP3 2618 -9.736 19.415 11.343 1.00 0.00 WT1 H ATOM 10420 OH2 TIP3 2620 3.215 -0.636 1.111 1.00 0.00 WT1 O ATOM 10421 H1 TIP3 2620 -17.270 3.160 19.795 1.00 0.00 WT1 H ATOM 10422 H2 TIP3 2620 -11.753 0.431 -21.531 1.00 0.00 WT1 H ATOM 10423 OH2 TIP3 2623 2.544 -0.053 0.801 1.00 0.00 WT1 O ATOM 10424 H1 TIP3 2623 -3.802 11.575 -26.885 1.00 0.00 WT1 H ATOM 10425 H2 TIP3 2623 16.632 14.339 1.548 1.00 0.00 WT1 H ATOM 10426 OH2 TIP3 2625 2.095 -1.929 1.179 1.00 0.00 WT1 O ATOM 10427 H1 TIP3 2625 28.599 -29.559 5.034 1.00 0.00 WT1 H ATOM 10428 H2 TIP3 2625 -3.006 7.620 -2.648 1.00 0.00 WT1 H ATOM 10429 OH2 TIP3 2626 2.667 -0.917 0.925 1.00 0.00 WT1 O ATOM 10430 H1 TIP3 2626 -9.741 7.600 -15.301 1.00 0.00 WT1 H ATOM 10431 H2 TIP3 2626 18.055 13.439 16.731 1.00 0.00 WT1 H ATOM 10432 OH2 TIP3 2627 3.776 6.934 -0.591 1.00 0.00 WT1 O ATOM 10433 H1 TIP3 2627 -0.205 9.770 1.998 1.00 0.00 WT1 H ATOM 10434 H2 TIP3 2627 10.892 9.063 4.298 1.00 0.00 WT1 H ATOM 10435 OH2 TIP3 2628 -1.032 1.762 0.039 1.00 0.00 WT1 O ATOM 10436 H1 TIP3 2628 -3.127 5.001 1.287 1.00 0.00 WT1 H ATOM 10437 H2 TIP3 2628 -16.445 -12.226 -10.068 1.00 0.00 WT1 H ATOM 10438 OH2 TIP3 2629 -7.649 -1.082 3.013 1.00 0.00 WT1 O ATOM 10439 H1 TIP3 2629 -3.996 -15.446 -18.879 1.00 0.00 WT1 H ATOM 10440 H2 TIP3 2629 -11.522 14.152 -12.226 1.00 0.00 WT1 H ATOM 10441 OH2 TIP3 2631 -1.666 -1.038 4.000 1.00 0.00 WT1 O ATOM 10442 H1 TIP3 2631 9.449 -18.884 -15.763 1.00 0.00 WT1 H ATOM 10443 H2 TIP3 2631 0.534 8.879 16.284 1.00 0.00 WT1 H ATOM 10444 OH2 TIP3 2632 -1.773 -7.827 -0.900 1.00 0.00 WT1 O ATOM 10445 H1 TIP3 2632 -24.951 18.147 -2.914 1.00 0.00 WT1 H ATOM 10446 H2 TIP3 2632 -11.203 5.677 7.829 1.00 0.00 WT1 H ATOM 10447 OH2 TIP3 2634 -0.108 0.272 5.837 1.00 0.00 WT1 O ATOM 10448 H1 TIP3 2634 -5.891 -3.251 4.295 1.00 0.00 WT1 H ATOM 10449 H2 TIP3 2634 5.528 -2.938 7.747 1.00 0.00 WT1 H ATOM 10450 OH2 TIP3 2635 -0.795 7.492 1.276 1.00 0.00 WT1 O ATOM 10451 H1 TIP3 2635 2.872 13.971 -35.185 1.00 0.00 WT1 H ATOM 10452 H2 TIP3 2635 26.193 14.413 8.262 1.00 0.00 WT1 H ATOM 10453 OH2 TIP3 2637 2.340 -2.363 2.898 1.00 0.00 WT1 O ATOM 10454 H1 TIP3 2637 -2.675 4.368 -0.151 1.00 0.00 WT1 H ATOM 10455 H2 TIP3 2637 -2.978 1.941 -0.799 1.00 0.00 WT1 H ATOM 10456 OH2 TIP3 2638 3.371 1.215 1.387 1.00 0.00 WT1 O ATOM 10457 H1 TIP3 2638 -26.675 6.822 5.377 1.00 0.00 WT1 H ATOM 10458 H2 TIP3 2638 13.422 8.306 3.218 1.00 0.00 WT1 H ATOM 10459 OH2 TIP3 2639 1.768 2.171 1.890 1.00 0.00 WT1 O ATOM 10460 H1 TIP3 2639 3.647 15.807 30.020 1.00 0.00 WT1 H ATOM 10461 H2 TIP3 2639 -18.685 -0.792 8.175 1.00 0.00 WT1 H ATOM 10462 OH2 TIP3 2641 -3.940 3.772 2.124 1.00 0.00 WT1 O ATOM 10463 H1 TIP3 2641 18.418 33.471 -45.437 1.00 0.00 WT1 H ATOM 10464 H2 TIP3 2641 -26.617 4.940 -13.693 1.00 0.00 WT1 H ATOM 10465 OH2 TIP3 2642 4.312 -0.206 1.912 1.00 0.00 WT1 O ATOM 10466 H1 TIP3 2642 -14.078 6.508 -9.403 1.00 0.00 WT1 H ATOM 10467 H2 TIP3 2642 1.556 3.482 2.817 1.00 0.00 WT1 H ATOM 10468 OH2 TIP3 2644 1.818 -1.959 -1.181 1.00 0.00 WT1 O ATOM 10469 H1 TIP3 2644 -4.757 -4.490 7.655 1.00 0.00 WT1 H ATOM 10470 H2 TIP3 2644 3.486 -5.355 -2.834 1.00 0.00 WT1 H ATOM 10471 OH2 TIP3 2646 -0.166 3.702 1.160 1.00 0.00 WT1 O ATOM 10472 H1 TIP3 2646 6.701 11.849 2.656 1.00 0.00 WT1 H ATOM 10473 H2 TIP3 2646 -1.379 -0.217 10.159 1.00 0.00 WT1 H ATOM 10474 OH2 TIP3 2647 7.104 -2.032 -3.526 1.00 0.00 WT1 O ATOM 10475 H1 TIP3 2647 1.753 -2.617 2.208 1.00 0.00 WT1 H ATOM 10476 H2 TIP3 2647 0.540 -2.418 -1.169 1.00 0.00 WT1 H ATOM 10477 OH2 TIP3 2648 -3.151 2.401 4.001 1.00 0.00 WT1 O ATOM 10478 H1 TIP3 2648 20.482 -23.443 -8.359 1.00 0.00 WT1 H ATOM 10479 H2 TIP3 2648 21.093 7.643 -5.012 1.00 0.00 WT1 H ATOM 10480 OH2 TIP3 2649 -3.287 0.244 2.333 1.00 0.00 WT1 O ATOM 10481 H1 TIP3 2649 -8.166 -2.000 -3.228 1.00 0.00 WT1 H ATOM 10482 H2 TIP3 2649 -1.244 13.498 13.192 1.00 0.00 WT1 H ATOM 10483 OH2 TIP3 2650 2.012 -3.296 -0.502 1.00 0.00 WT1 O ATOM 10484 H1 TIP3 2650 0.832 -5.973 -2.550 1.00 0.00 WT1 H ATOM 10485 H2 TIP3 2650 -8.470 15.618 0.743 1.00 0.00 WT1 H ATOM 10486 OH2 TIP3 2651 -1.594 -5.064 1.883 1.00 0.00 WT1 O ATOM 10487 H1 TIP3 2651 -10.774 -4.819 -0.528 1.00 0.00 WT1 H ATOM 10488 H2 TIP3 2651 7.274 -5.363 13.435 1.00 0.00 WT1 H ATOM 10489 OH2 TIP3 2653 2.827 -2.563 -2.394 1.00 0.00 WT1 O ATOM 10490 H1 TIP3 2653 11.954 -0.877 14.453 1.00 0.00 WT1 H ATOM 10491 H2 TIP3 2653 -7.642 11.707 8.651 1.00 0.00 WT1 H ATOM 10492 OH2 TIP3 2654 -5.251 1.555 -1.644 1.00 0.00 WT1 O ATOM 10493 H1 TIP3 2654 14.282 -14.048 -15.046 1.00 0.00 WT1 H ATOM 10494 H2 TIP3 2654 -13.985 -6.021 11.813 1.00 0.00 WT1 H ATOM 10495 OH2 TIP3 2655 -0.932 -1.960 -0.095 1.00 0.00 WT1 O ATOM 10496 H1 TIP3 2655 -13.780 14.167 -10.711 1.00 0.00 WT1 H ATOM 10497 H2 TIP3 2655 -21.448 -6.913 8.136 1.00 0.00 WT1 H ATOM 10498 OH2 TIP3 2656 -3.461 -3.978 3.117 1.00 0.00 WT1 O ATOM 10499 H1 TIP3 2656 -9.431 -18.305 4.346 1.00 0.00 WT1 H ATOM 10500 H2 TIP3 2656 -25.297 0.452 -7.398 1.00 0.00 WT1 H ATOM 10501 OH2 TIP3 2657 0.335 4.708 -7.542 1.00 0.00 WT1 O ATOM 10502 H1 TIP3 2657 0.375 6.639 -2.688 1.00 0.00 WT1 H ATOM 10503 H2 TIP3 2657 -0.493 9.235 -10.100 1.00 0.00 WT1 H ATOM 10504 OH2 TIP3 2658 -4.478 -3.638 5.596 1.00 0.00 WT1 O ATOM 10505 H1 TIP3 2658 -5.785 -11.203 13.901 1.00 0.00 WT1 H ATOM 10506 H2 TIP3 2658 -7.731 -14.459 14.546 1.00 0.00 WT1 H ATOM 10507 OH2 TIP3 2659 -0.539 4.211 5.252 1.00 0.00 WT1 O ATOM 10508 H1 TIP3 2659 -4.875 17.695 -9.032 1.00 0.00 WT1 H ATOM 10509 H2 TIP3 2659 -9.935 -12.998 -1.869 1.00 0.00 WT1 H ATOM 10510 OH2 TIP3 2660 -3.250 8.066 3.147 1.00 0.00 WT1 O ATOM 10511 H1 TIP3 2660 -15.699 -9.026 13.174 1.00 0.00 WT1 H ATOM 10512 H2 TIP3 2660 10.218 33.500 -7.554 1.00 0.00 WT1 H ATOM 10513 OH2 TIP3 2661 -2.819 -0.933 6.889 1.00 0.00 WT1 O ATOM 10514 H1 TIP3 2661 4.882 -9.815 4.361 1.00 0.00 WT1 H ATOM 10515 H2 TIP3 2661 4.495 -8.195 1.101 1.00 0.00 WT1 H ATOM 10516 OH2 TIP3 2662 2.949 -1.094 -0.924 1.00 0.00 WT1 O ATOM 10517 H1 TIP3 2662 2.949 -12.258 5.533 1.00 0.00 WT1 H ATOM 10518 H2 TIP3 2662 6.467 -1.783 -12.003 1.00 0.00 WT1 H ATOM 10519 OH2 TIP3 2663 1.537 -3.088 -4.481 1.00 0.00 WT1 O ATOM 10520 H1 TIP3 2663 -3.870 -6.479 -21.545 1.00 0.00 WT1 H ATOM 10521 H2 TIP3 2663 3.669 27.576 -8.545 1.00 0.00 WT1 H ATOM 10522 OH2 TIP3 2664 -2.521 -3.911 2.329 1.00 0.00 WT1 O ATOM 10523 H1 TIP3 2664 1.692 -3.493 4.062 1.00 0.00 WT1 H ATOM 10524 H2 TIP3 2664 19.160 -1.945 4.004 1.00 0.00 WT1 H ATOM 10525 OH2 TIP3 2665 -5.243 -0.911 -0.036 1.00 0.00 WT1 O ATOM 10526 H1 TIP3 2665 -1.116 13.959 -10.321 1.00 0.00 WT1 H ATOM 10527 H2 TIP3 2665 -9.788 16.827 28.190 1.00 0.00 WT1 H ATOM 10528 OH2 TIP3 2666 -1.615 2.930 -1.017 1.00 0.00 WT1 O ATOM 10529 H1 TIP3 2666 8.651 5.498 -13.378 1.00 0.00 WT1 H ATOM 10530 H2 TIP3 2666 -10.537 -10.498 18.094 1.00 0.00 WT1 H ATOM 10531 OH2 TIP3 2667 0.057 2.856 -17.287 1.00 0.00 WT1 O ATOM 10532 H1 TIP3 2667 0.590 12.343 -2.239 1.00 0.00 WT1 H ATOM 10533 H2 TIP3 2667 -10.017 -13.604 -12.835 1.00 0.00 WT1 H ATOM 10534 OH2 TIP3 2668 5.362 -3.249 -1.182 1.00 0.00 WT1 O ATOM 10535 H1 TIP3 2668 -22.573 -11.540 -8.575 1.00 0.00 WT1 H ATOM 10536 H2 TIP3 2668 12.135 -2.158 6.699 1.00 0.00 WT1 H ATOM 10537 OH2 TIP3 2669 3.292 7.258 -3.836 1.00 0.00 WT1 O ATOM 10538 H1 TIP3 2669 20.459 -11.419 -5.415 1.00 0.00 WT1 H ATOM 10539 H2 TIP3 2669 -31.090 -8.155 15.109 1.00 0.00 WT1 H ATOM 10540 OH2 TIP3 2670 2.570 -0.615 -2.805 1.00 0.00 WT1 O ATOM 10541 H1 TIP3 2670 -9.914 0.816 5.894 1.00 0.00 WT1 H ATOM 10542 H2 TIP3 2670 -4.494 -20.039 2.018 1.00 0.00 WT1 H ATOM 10543 OH2 TIP3 2672 6.596 -1.166 -5.883 1.00 0.00 WT1 O ATOM 10544 H1 TIP3 2672 -10.812 8.183 -8.964 1.00 0.00 WT1 H ATOM 10545 H2 TIP3 2672 10.356 13.565 1.023 1.00 0.00 WT1 H ATOM 10546 OH2 TIP3 2673 -1.774 -2.200 -1.692 1.00 0.00 WT1 O ATOM 10547 H1 TIP3 2673 20.102 -8.520 0.917 1.00 0.00 WT1 H ATOM 10548 H2 TIP3 2673 -18.265 14.480 2.341 1.00 0.00 WT1 H ATOM 10549 OH2 TIP3 2674 -1.111 -6.863 4.472 1.00 0.00 WT1 O ATOM 10550 H1 TIP3 2674 -12.673 -9.796 13.110 1.00 0.00 WT1 H ATOM 10551 H2 TIP3 2674 0.946 6.343 -1.104 1.00 0.00 WT1 H ATOM 10552 OH2 TIP3 2675 9.470 0.614 0.581 1.00 0.00 WT1 O ATOM 10553 H1 TIP3 2675 8.152 2.522 1.706 1.00 0.00 WT1 H ATOM 10554 H2 TIP3 2675 -1.504 -1.103 -2.875 1.00 0.00 WT1 H ATOM 10555 OH2 TIP3 2676 2.485 -3.305 -2.583 1.00 0.00 WT1 O ATOM 10556 H1 TIP3 2676 20.067 -3.770 -4.220 1.00 0.00 WT1 H ATOM 10557 H2 TIP3 2676 7.143 -15.423 -12.757 1.00 0.00 WT1 H ATOM 10558 OH2 TIP3 2677 -0.435 -1.458 -2.936 1.00 0.00 WT1 O ATOM 10559 H1 TIP3 2677 9.841 8.824 15.401 1.00 0.00 WT1 H ATOM 10560 H2 TIP3 2677 -11.770 -13.241 -24.229 1.00 0.00 WT1 H ATOM 10561 OH2 TIP3 2678 1.532 3.880 6.104 1.00 0.00 WT1 O ATOM 10562 H1 TIP3 2678 -23.537 -6.261 7.293 1.00 0.00 WT1 H ATOM 10563 H2 TIP3 2678 9.859 1.300 -18.767 1.00 0.00 WT1 H ATOM 10564 OH2 TIP3 2679 -1.894 -0.413 4.515 1.00 0.00 WT1 O ATOM 10565 H1 TIP3 2679 4.152 2.440 -7.834 1.00 0.00 WT1 H ATOM 10566 H2 TIP3 2679 2.231 -2.607 -4.359 1.00 0.00 WT1 H ATOM 10567 OH2 TIP3 2680 -0.969 4.123 4.191 1.00 0.00 WT1 O ATOM 10568 H1 TIP3 2680 3.207 8.347 4.012 1.00 0.00 WT1 H ATOM 10569 H2 TIP3 2680 -5.099 6.956 6.245 1.00 0.00 WT1 H ATOM 10570 OH2 TIP3 2681 9.199 1.721 -0.548 1.00 0.00 WT1 O ATOM 10571 H1 TIP3 2681 6.090 7.349 -3.433 1.00 0.00 WT1 H ATOM 10572 H2 TIP3 2681 13.486 -9.269 25.740 1.00 0.00 WT1 H ATOM 10573 OH2 TIP3 2682 -4.969 -1.456 -0.795 1.00 0.00 WT1 O ATOM 10574 H1 TIP3 2682 22.652 1.276 -37.341 1.00 0.00 WT1 H ATOM 10575 H2 TIP3 2682 2.938 -8.085 2.076 1.00 0.00 WT1 H ATOM 10576 OH2 TIP3 2683 0.655 -1.997 5.344 1.00 0.00 WT1 O ATOM 10577 H1 TIP3 2683 2.348 -3.620 -0.376 1.00 0.00 WT1 H ATOM 10578 H2 TIP3 2683 0.856 4.205 5.962 1.00 0.00 WT1 H ATOM 10579 OH2 TIP3 2684 2.292 -0.853 5.533 1.00 0.00 WT1 O ATOM 10580 H1 TIP3 2684 -1.684 -0.004 4.409 1.00 0.00 WT1 H ATOM 10581 H2 TIP3 2684 19.314 3.085 3.982 1.00 0.00 WT1 H ATOM 10582 OH2 TIP3 2685 1.757 0.193 -2.171 1.00 0.00 WT1 O ATOM 10583 H1 TIP3 2685 15.935 12.292 -2.162 1.00 0.00 WT1 H ATOM 10584 H2 TIP3 2685 8.738 -6.907 -4.308 1.00 0.00 WT1 H ATOM 10585 OH2 TIP3 2686 3.014 1.419 7.187 1.00 0.00 WT1 O ATOM 10586 H1 TIP3 2686 -25.195 -14.359 12.199 1.00 0.00 WT1 H ATOM 10587 H2 TIP3 2686 15.554 1.504 27.247 1.00 0.00 WT1 H ATOM 10588 OH2 TIP3 2688 -4.483 -0.522 -3.220 1.00 0.00 WT1 O ATOM 10589 H1 TIP3 2688 4.554 -4.778 8.643 1.00 0.00 WT1 H ATOM 10590 H2 TIP3 2688 0.405 1.351 15.105 1.00 0.00 WT1 H ATOM 10591 OH2 TIP3 2689 -6.913 1.005 -3.607 1.00 0.00 WT1 O ATOM 10592 H1 TIP3 2689 -12.768 6.831 -2.860 1.00 0.00 WT1 H ATOM 10593 H2 TIP3 2689 6.470 -2.776 12.803 1.00 0.00 WT1 H ATOM 10594 OH2 TIP3 2690 -5.781 2.854 0.293 1.00 0.00 WT1 O ATOM 10595 H1 TIP3 2690 -8.098 6.228 -6.730 1.00 0.00 WT1 H ATOM 10596 H2 TIP3 2690 -14.815 -0.048 6.944 1.00 0.00 WT1 H ATOM 10597 OH2 TIP3 2691 -1.385 -6.964 -12.960 1.00 0.00 WT1 O ATOM 10598 H1 TIP3 2691 -25.271 -0.243 -27.618 1.00 0.00 WT1 H ATOM 10599 H2 TIP3 2691 8.009 3.766 -0.677 1.00 0.00 WT1 H ATOM 10600 OH2 TIP3 2692 -0.539 -7.673 5.759 1.00 0.00 WT1 O ATOM 10601 H1 TIP3 2692 -3.241 8.094 -7.645 1.00 0.00 WT1 H ATOM 10602 H2 TIP3 2692 -2.146 -4.475 5.254 1.00 0.00 WT1 H ATOM 10603 OH2 TIP3 2693 3.296 -9.768 -0.184 1.00 0.00 WT1 O ATOM 10604 H1 TIP3 2693 -5.705 -4.294 -5.658 1.00 0.00 WT1 H ATOM 10605 H2 TIP3 2693 -3.557 -7.851 -5.343 1.00 0.00 WT1 H ATOM 10606 OH2 TIP3 2694 2.567 -4.633 -4.630 1.00 0.00 WT1 O ATOM 10607 H1 TIP3 2694 21.574 -18.825 2.216 1.00 0.00 WT1 H ATOM 10608 H2 TIP3 2694 0.766 -1.905 -19.177 1.00 0.00 WT1 H ATOM 10609 OH2 TIP3 2695 1.016 3.135 2.939 1.00 0.00 WT1 O ATOM 10610 H1 TIP3 2695 -6.392 -8.949 9.126 1.00 0.00 WT1 H ATOM 10611 H2 TIP3 2695 -13.884 -8.273 -25.176 1.00 0.00 WT1 H ATOM 10612 OH2 TIP3 2696 -0.703 -3.112 -0.120 1.00 0.00 WT1 O ATOM 10613 H1 TIP3 2696 -14.208 10.151 0.781 1.00 0.00 WT1 H ATOM 10614 H2 TIP3 2696 13.983 5.693 -7.843 1.00 0.00 WT1 H ATOM 10615 OH2 TIP3 2697 0.227 2.762 -1.200 1.00 0.00 WT1 O ATOM 10616 H1 TIP3 2697 8.907 -7.976 1.788 1.00 0.00 WT1 H ATOM 10617 H2 TIP3 2697 -2.364 11.530 -1.764 1.00 0.00 WT1 H ATOM 10618 OH2 TIP3 2698 -2.624 -1.169 1.228 1.00 0.00 WT1 O ATOM 10619 H1 TIP3 2698 3.420 7.355 -13.063 1.00 0.00 WT1 H ATOM 10620 H2 TIP3 2698 -6.473 -24.012 11.379 1.00 0.00 WT1 H ATOM 10621 OH2 TIP3 2700 -0.199 3.891 -3.288 1.00 0.00 WT1 O ATOM 10622 H1 TIP3 2700 0.500 3.775 14.270 1.00 0.00 WT1 H ATOM 10623 H2 TIP3 2700 1.127 21.027 32.867 1.00 0.00 WT1 H ATOM 10624 OH2 TIP3 2701 -0.676 1.513 0.326 1.00 0.00 WT1 O ATOM 10625 H1 TIP3 2701 -14.157 25.632 26.614 1.00 0.00 WT1 H ATOM 10626 H2 TIP3 2701 13.593 -4.594 0.924 1.00 0.00 WT1 H ATOM 10627 OH2 TIP3 2702 -0.983 -7.164 2.936 1.00 0.00 WT1 O ATOM 10628 H1 TIP3 2702 8.139 7.794 -11.133 1.00 0.00 WT1 H ATOM 10629 H2 TIP3 2702 6.438 -8.019 -2.532 1.00 0.00 WT1 H ATOM 10630 OH2 TIP3 2703 -4.167 7.607 6.354 1.00 0.00 WT1 O ATOM 10631 H1 TIP3 2703 -14.511 -9.451 22.300 1.00 0.00 WT1 H ATOM 10632 H2 TIP3 2703 0.432 -0.498 -1.576 1.00 0.00 WT1 H ATOM 10633 OH2 TIP3 2705 -4.095 -3.572 1.137 1.00 0.00 WT1 O ATOM 10634 H1 TIP3 2705 1.781 16.593 3.666 1.00 0.00 WT1 H ATOM 10635 H2 TIP3 2705 -3.418 -8.386 -3.710 1.00 0.00 WT1 H ATOM 10636 OH2 TIP3 2706 -1.763 3.839 1.030 1.00 0.00 WT1 O ATOM 10637 H1 TIP3 2706 6.199 -4.245 6.137 1.00 0.00 WT1 H ATOM 10638 H2 TIP3 2706 -35.883 32.885 -15.537 1.00 0.00 WT1 H ATOM 10639 OH2 TIP3 2707 -2.270 1.511 -3.798 1.00 0.00 WT1 O ATOM 10640 H1 TIP3 2707 15.254 15.755 12.798 1.00 0.00 WT1 H ATOM 10641 H2 TIP3 2707 -14.649 24.011 -9.723 1.00 0.00 WT1 H ATOM 10642 OH2 TIP3 2708 -1.993 -0.265 3.891 1.00 0.00 WT1 O ATOM 10643 H1 TIP3 2708 -12.248 -10.638 7.519 1.00 0.00 WT1 H ATOM 10644 H2 TIP3 2708 9.338 4.510 9.360 1.00 0.00 WT1 H ATOM 10645 OH2 TIP3 2709 -0.048 5.255 1.306 1.00 0.00 WT1 O ATOM 10646 H1 TIP3 2709 1.196 6.814 9.786 1.00 0.00 WT1 H ATOM 10647 H2 TIP3 2709 -24.674 -2.570 5.236 1.00 0.00 WT1 H ATOM 10648 OH2 TIP3 2710 -0.184 -1.533 1.645 1.00 0.00 WT1 O ATOM 10649 H1 TIP3 2710 4.840 -10.713 14.455 1.00 0.00 WT1 H ATOM 10650 H2 TIP3 2710 -5.141 -9.452 -2.478 1.00 0.00 WT1 H ATOM 10651 OH2 TIP3 2711 0.798 0.401 1.590 1.00 0.00 WT1 O ATOM 10652 H1 TIP3 2711 1.545 15.710 5.989 1.00 0.00 WT1 H ATOM 10653 H2 TIP3 2711 2.561 17.852 7.667 1.00 0.00 WT1 H ATOM 10654 OH2 TIP3 2712 -2.250 -4.225 1.452 1.00 0.00 WT1 O ATOM 10655 H1 TIP3 2712 8.974 9.586 -23.727 1.00 0.00 WT1 H ATOM 10656 H2 TIP3 2712 -14.362 4.502 -1.248 1.00 0.00 WT1 H ATOM 10657 OH2 TIP3 2713 2.899 0.211 3.221 1.00 0.00 WT1 O ATOM 10658 H1 TIP3 2713 -30.957 3.492 -39.067 1.00 0.00 WT1 H ATOM 10659 H2 TIP3 2713 1.611 -9.914 30.066 1.00 0.00 WT1 H ATOM 10660 OH2 TIP3 2714 -1.219 4.594 -3.868 1.00 0.00 WT1 O ATOM 10661 H1 TIP3 2714 -10.380 0.382 14.905 1.00 0.00 WT1 H ATOM 10662 H2 TIP3 2714 18.023 30.520 -18.936 1.00 0.00 WT1 H ATOM 10663 OH2 TIP3 2715 3.288 -1.821 4.439 1.00 0.00 WT1 O ATOM 10664 H1 TIP3 2715 4.259 -38.359 10.293 1.00 0.00 WT1 H ATOM 10665 H2 TIP3 2715 -6.110 -22.416 -6.074 1.00 0.00 WT1 H ATOM 10666 OH2 TIP3 2717 -8.273 4.302 -1.208 1.00 0.00 WT1 O ATOM 10667 H1 TIP3 2717 -3.078 -1.888 7.128 1.00 0.00 WT1 H ATOM 10668 H2 TIP3 2717 -11.652 7.343 -12.337 1.00 0.00 WT1 H ATOM 10669 OH2 TIP3 2718 -0.308 -2.729 -2.578 1.00 0.00 WT1 O ATOM 10670 H1 TIP3 2718 -20.770 28.206 4.045 1.00 0.00 WT1 H ATOM 10671 H2 TIP3 2718 3.601 -7.866 -9.627 1.00 0.00 WT1 H ATOM 10672 OH2 TIP3 2719 2.271 -3.192 0.377 1.00 0.00 WT1 O ATOM 10673 H1 TIP3 2719 -15.521 9.711 -6.173 1.00 0.00 WT1 H ATOM 10674 H2 TIP3 2719 1.375 -4.867 26.515 1.00 0.00 WT1 H ATOM 10675 OH2 TIP3 2720 2.487 3.439 1.346 1.00 0.00 WT1 O ATOM 10676 H1 TIP3 2720 -4.037 9.581 0.550 1.00 0.00 WT1 H ATOM 10677 H2 TIP3 2720 -5.271 11.909 -16.286 1.00 0.00 WT1 H ATOM 10678 OH2 TIP3 2721 1.614 0.089 -1.018 1.00 0.00 WT1 O ATOM 10679 H1 TIP3 2721 4.105 -13.392 0.622 1.00 0.00 WT1 H ATOM 10680 H2 TIP3 2721 4.518 4.310 26.947 1.00 0.00 WT1 H ATOM 10681 OH2 TIP3 2722 5.097 -1.976 1.780 1.00 0.00 WT1 O ATOM 10682 H1 TIP3 2722 7.448 -4.804 -0.789 1.00 0.00 WT1 H ATOM 10683 H2 TIP3 2722 8.739 -6.827 5.520 1.00 0.00 WT1 H ATOM 10684 OH2 TIP3 2723 -4.423 1.241 -0.191 1.00 0.00 WT1 O ATOM 10685 H1 TIP3 2723 -0.852 8.767 0.659 1.00 0.00 WT1 H ATOM 10686 H2 TIP3 2723 -4.047 2.307 -0.533 1.00 0.00 WT1 H ATOM 10687 OH2 TIP3 2724 0.081 4.907 0.361 1.00 0.00 WT1 O ATOM 10688 H1 TIP3 2724 -20.244 22.451 8.955 1.00 0.00 WT1 H ATOM 10689 H2 TIP3 2724 10.863 -8.209 -5.386 1.00 0.00 WT1 H ATOM 10690 OH2 TIP3 2725 -4.066 3.151 -0.827 1.00 0.00 WT1 O ATOM 10691 H1 TIP3 2725 -4.699 11.145 11.983 1.00 0.00 WT1 H ATOM 10692 H2 TIP3 2725 -11.604 1.984 -12.418 1.00 0.00 WT1 H ATOM 10693 OH2 TIP3 2726 6.966 4.952 1.398 1.00 0.00 WT1 O ATOM 10694 H1 TIP3 2726 -11.575 12.188 -0.958 1.00 0.00 WT1 H ATOM 10695 H2 TIP3 2726 4.639 15.507 7.379 1.00 0.00 WT1 H ATOM 10696 OH2 TIP3 2727 9.060 -2.697 7.362 1.00 0.00 WT1 O ATOM 10697 H1 TIP3 2727 2.378 -8.088 18.241 1.00 0.00 WT1 H ATOM 10698 H2 TIP3 2727 -10.590 -7.762 19.397 1.00 0.00 WT1 H ATOM 10699 OH2 TIP3 2728 2.628 3.468 -1.791 1.00 0.00 WT1 O ATOM 10700 H1 TIP3 2728 2.402 4.862 4.652 1.00 0.00 WT1 H ATOM 10701 H2 TIP3 2728 0.965 7.346 16.470 1.00 0.00 WT1 H ATOM 10702 OH2 TIP3 2729 -1.956 1.162 -0.175 1.00 0.00 WT1 O ATOM 10703 H1 TIP3 2729 2.758 0.227 9.292 1.00 0.00 WT1 H ATOM 10704 H2 TIP3 2729 12.161 -6.007 17.387 1.00 0.00 WT1 H ATOM 10705 OH2 TIP3 2730 -1.192 -0.407 -2.635 1.00 0.00 WT1 O ATOM 10706 H1 TIP3 2730 -15.656 -0.749 0.986 1.00 0.00 WT1 H ATOM 10707 H2 TIP3 2730 7.631 -11.150 -14.482 1.00 0.00 WT1 H ATOM 10708 OH2 TIP3 2732 1.421 -8.681 -7.098 1.00 0.00 WT1 O ATOM 10709 H1 TIP3 2732 9.872 2.776 -2.564 1.00 0.00 WT1 H ATOM 10710 H2 TIP3 2732 -3.719 -5.053 -0.704 1.00 0.00 WT1 H ATOM 10711 OH2 TIP3 2733 7.011 -3.564 0.316 1.00 0.00 WT1 O ATOM 10712 H1 TIP3 2733 0.387 -4.917 -17.605 1.00 0.00 WT1 H ATOM 10713 H2 TIP3 2733 11.658 17.195 3.952 1.00 0.00 WT1 H ATOM 10714 OH2 TIP3 2734 2.161 0.376 3.288 1.00 0.00 WT1 O ATOM 10715 H1 TIP3 2734 3.672 -16.436 14.123 1.00 0.00 WT1 H ATOM 10716 H2 TIP3 2734 0.079 15.066 15.421 1.00 0.00 WT1 H ATOM 10717 OH2 TIP3 2735 5.384 2.087 -4.683 1.00 0.00 WT1 O ATOM 10718 H1 TIP3 2735 0.869 19.696 -28.106 1.00 0.00 WT1 H ATOM 10719 H2 TIP3 2735 7.168 -7.204 13.358 1.00 0.00 WT1 H ATOM 10720 OH2 TIP3 2736 6.588 -3.219 -3.928 1.00 0.00 WT1 O ATOM 10721 H1 TIP3 2736 11.861 -7.015 -2.805 1.00 0.00 WT1 H ATOM 10722 H2 TIP3 2736 19.541 28.072 -25.974 1.00 0.00 WT1 H ATOM 10723 OH2 TIP3 2737 0.295 3.968 5.457 1.00 0.00 WT1 O ATOM 10724 H1 TIP3 2737 2.792 1.868 14.225 1.00 0.00 WT1 H ATOM 10725 H2 TIP3 2737 2.929 6.816 -11.758 1.00 0.00 WT1 H ATOM 10726 OH2 TIP3 2738 3.764 -3.685 -2.595 1.00 0.00 WT1 O ATOM 10727 H1 TIP3 2738 6.980 5.151 2.830 1.00 0.00 WT1 H ATOM 10728 H2 TIP3 2738 -3.466 -7.817 -0.908 1.00 0.00 WT1 H ATOM 10729 OH2 TIP3 2739 1.660 -4.372 -2.190 1.00 0.00 WT1 O ATOM 10730 H1 TIP3 2739 35.091 -0.968 -2.697 1.00 0.00 WT1 H ATOM 10731 H2 TIP3 2739 -17.319 17.583 15.307 1.00 0.00 WT1 H ATOM 10732 OH2 TIP3 2740 -3.201 -3.977 -0.561 1.00 0.00 WT1 O ATOM 10733 H1 TIP3 2740 20.069 -6.022 15.031 1.00 0.00 WT1 H ATOM 10734 H2 TIP3 2740 6.287 3.539 9.566 1.00 0.00 WT1 H ATOM 10735 OH2 TIP3 2741 4.817 -0.737 -6.175 1.00 0.00 WT1 O ATOM 10736 H1 TIP3 2741 6.136 -2.163 -11.894 1.00 0.00 WT1 H ATOM 10737 H2 TIP3 2741 -3.291 15.697 12.076 1.00 0.00 WT1 H ATOM 10738 OH2 TIP3 2742 1.137 -10.044 6.189 1.00 0.00 WT1 O ATOM 10739 H1 TIP3 2742 -10.909 -7.596 6.233 1.00 0.00 WT1 H ATOM 10740 H2 TIP3 2742 8.059 -20.502 -12.654 1.00 0.00 WT1 H ATOM 10741 OH2 TIP3 2743 -1.554 -0.405 1.309 1.00 0.00 WT1 O ATOM 10742 H1 TIP3 2743 6.538 4.680 5.437 1.00 0.00 WT1 H ATOM 10743 H2 TIP3 2743 -12.890 -9.511 -4.649 1.00 0.00 WT1 H ATOM 10744 OH2 TIP3 2744 -0.221 -9.908 4.605 1.00 0.00 WT1 O ATOM 10745 H1 TIP3 2744 -4.579 -11.291 -4.982 1.00 0.00 WT1 H ATOM 10746 H2 TIP3 2744 -4.060 -9.446 7.236 1.00 0.00 WT1 H ATOM 10747 OH2 TIP3 2745 0.739 -0.991 0.390 1.00 0.00 WT1 O ATOM 10748 H1 TIP3 2745 7.691 4.969 -8.662 1.00 0.00 WT1 H ATOM 10749 H2 TIP3 2745 -3.669 9.035 3.058 1.00 0.00 WT1 H ATOM 10750 OH2 TIP3 2746 4.107 -0.203 -1.052 1.00 0.00 WT1 O ATOM 10751 H1 TIP3 2746 -7.214 -17.758 6.411 1.00 0.00 WT1 H ATOM 10752 H2 TIP3 2746 -11.498 15.335 -9.030 1.00 0.00 WT1 H ATOM 10753 OH2 TIP3 2747 2.659 -5.048 5.286 1.00 0.00 WT1 O ATOM 10754 H1 TIP3 2747 19.804 12.033 -19.427 1.00 0.00 WT1 H ATOM 10755 H2 TIP3 2747 7.728 14.175 -19.060 1.00 0.00 WT1 H ATOM 10756 OH2 TIP3 2748 1.528 -1.374 0.029 1.00 0.00 WT1 O ATOM 10757 H1 TIP3 2748 -3.518 1.721 3.892 1.00 0.00 WT1 H ATOM 10758 H2 TIP3 2748 15.470 0.151 -15.901 1.00 0.00 WT1 H ATOM 10759 OH2 TIP3 2749 -4.525 1.094 -5.569 1.00 0.00 WT1 O ATOM 10760 H1 TIP3 2749 -2.239 -14.842 -34.243 1.00 0.00 WT1 H ATOM 10761 H2 TIP3 2749 -17.718 25.202 -10.652 1.00 0.00 WT1 H ATOM 10762 OH2 TIP3 2750 3.710 -1.814 -0.124 1.00 0.00 WT1 O ATOM 10763 H1 TIP3 2750 33.209 -6.410 26.530 1.00 0.00 WT1 H ATOM 10764 H2 TIP3 2750 -22.897 -22.121 -18.872 1.00 0.00 WT1 H ATOM 10765 OH2 TIP3 2752 4.919 -8.122 -2.849 1.00 0.00 WT1 O ATOM 10766 H1 TIP3 2752 2.667 -3.106 -6.858 1.00 0.00 WT1 H ATOM 10767 H2 TIP3 2752 0.549 -15.369 -3.734 1.00 0.00 WT1 H ATOM 10768 OH2 TIP3 2753 -0.844 -6.829 -2.524 1.00 0.00 WT1 O ATOM 10769 H1 TIP3 2753 -7.619 2.166 5.300 1.00 0.00 WT1 H ATOM 10770 H2 TIP3 2753 1.367 -8.477 -7.428 1.00 0.00 WT1 H ATOM 10771 OH2 TIP3 2754 -6.804 -8.480 0.183 1.00 0.00 WT1 O ATOM 10772 H1 TIP3 2754 -5.639 4.465 -1.732 1.00 0.00 WT1 H ATOM 10773 H2 TIP3 2754 -3.606 0.346 3.539 1.00 0.00 WT1 H ATOM 10774 OH2 TIP3 2755 -3.921 3.224 -1.855 1.00 0.00 WT1 O ATOM 10775 H1 TIP3 2755 3.497 -6.609 -8.940 1.00 0.00 WT1 H ATOM 10776 H2 TIP3 2755 -2.035 11.759 -7.027 1.00 0.00 WT1 H ATOM 10777 OH2 TIP3 2756 1.233 -1.555 -1.656 1.00 0.00 WT1 O ATOM 10778 H1 TIP3 2756 1.891 -2.376 -4.297 1.00 0.00 WT1 H ATOM 10779 H2 TIP3 2756 4.264 0.222 0.887 1.00 0.00 WT1 H ATOM 10780 OH2 TIP3 2757 1.579 -7.793 -1.034 1.00 0.00 WT1 O ATOM 10781 H1 TIP3 2757 -9.519 -30.374 -8.347 1.00 0.00 WT1 H ATOM 10782 H2 TIP3 2757 3.224 -4.420 -0.754 1.00 0.00 WT1 H ATOM 10783 OH2 TIP3 2758 -4.887 3.088 -1.867 1.00 0.00 WT1 O ATOM 10784 H1 TIP3 2758 9.992 4.525 15.132 1.00 0.00 WT1 H ATOM 10785 H2 TIP3 2758 -10.748 -3.017 -3.827 1.00 0.00 WT1 H ATOM 10786 OH2 TIP3 2760 -3.525 0.085 -1.889 1.00 0.00 WT1 O ATOM 10787 H1 TIP3 2760 -9.314 -10.865 -19.874 1.00 0.00 WT1 H ATOM 10788 H2 TIP3 2760 -3.561 -0.132 -1.333 1.00 0.00 WT1 H ATOM 10789 OH2 TIP3 2761 2.157 1.076 -1.711 1.00 0.00 WT1 O ATOM 10790 H1 TIP3 2761 8.256 19.338 -8.199 1.00 0.00 WT1 H ATOM 10791 H2 TIP3 2761 0.901 5.485 -1.304 1.00 0.00 WT1 H ATOM 10792 OH2 TIP3 2763 -1.498 -1.353 0.095 1.00 0.00 WT1 O ATOM 10793 H1 TIP3 2763 1.814 1.921 4.045 1.00 0.00 WT1 H ATOM 10794 H2 TIP3 2763 -4.961 -16.528 5.487 1.00 0.00 WT1 H ATOM 10795 OH2 TIP3 2764 7.185 -4.245 2.280 1.00 0.00 WT1 O ATOM 10796 H1 TIP3 2764 1.754 -25.869 5.461 1.00 0.00 WT1 H ATOM 10797 H2 TIP3 2764 4.344 -1.128 1.848 1.00 0.00 WT1 H ATOM 10798 OH2 TIP3 2765 -3.969 5.070 -10.276 1.00 0.00 WT1 O ATOM 10799 H1 TIP3 2765 -12.454 1.723 19.825 1.00 0.00 WT1 H ATOM 10800 H2 TIP3 2765 -7.309 9.586 -13.541 1.00 0.00 WT1 H ATOM 10801 OH2 TIP3 2766 -1.375 2.912 1.506 1.00 0.00 WT1 O ATOM 10802 H1 TIP3 2766 -5.427 20.777 16.102 1.00 0.00 WT1 H ATOM 10803 H2 TIP3 2766 -21.873 6.285 11.863 1.00 0.00 WT1 H ATOM 10804 OH2 TIP3 2767 -0.784 4.804 -0.344 1.00 0.00 WT1 O ATOM 10805 H1 TIP3 2767 12.325 -17.267 -22.013 1.00 0.00 WT1 H ATOM 10806 H2 TIP3 2767 6.107 3.433 8.289 1.00 0.00 WT1 H ATOM 10807 OH2 TIP3 2769 3.707 -1.152 -0.363 1.00 0.00 WT1 O ATOM 10808 H1 TIP3 2769 5.708 7.106 9.804 1.00 0.00 WT1 H ATOM 10809 H2 TIP3 2769 11.248 -12.882 5.505 1.00 0.00 WT1 H ATOM 10810 OH2 TIP3 2770 -1.461 -1.643 -0.958 1.00 0.00 WT1 O ATOM 10811 H1 TIP3 2770 -2.640 -2.331 12.801 1.00 0.00 WT1 H ATOM 10812 H2 TIP3 2770 -1.117 -5.068 -6.068 1.00 0.00 WT1 H ATOM 10813 OH2 TIP3 2771 2.396 -2.588 -3.774 1.00 0.00 WT1 O ATOM 10814 H1 TIP3 2771 13.906 12.846 18.344 1.00 0.00 WT1 H ATOM 10815 H2 TIP3 2771 30.519 -5.738 24.160 1.00 0.00 WT1 H ATOM 10816 OH2 TIP3 2772 2.824 1.193 2.153 1.00 0.00 WT1 O ATOM 10817 H1 TIP3 2772 -4.601 5.121 3.680 1.00 0.00 WT1 H ATOM 10818 H2 TIP3 2772 6.206 -1.594 1.236 1.00 0.00 WT1 H ATOM 10819 OH2 TIP3 2774 -1.724 -2.304 -5.721 1.00 0.00 WT1 O ATOM 10820 H1 TIP3 2774 -1.202 -11.433 -18.639 1.00 0.00 WT1 H ATOM 10821 H2 TIP3 2774 14.679 6.706 8.421 1.00 0.00 WT1 H ATOM 10822 OH2 TIP3 2775 6.010 0.327 -4.930 1.00 0.00 WT1 O ATOM 10823 H1 TIP3 2775 -1.700 -4.573 0.526 1.00 0.00 WT1 H ATOM 10824 H2 TIP3 2775 12.525 -3.934 -6.894 1.00 0.00 WT1 H ATOM 10825 OH2 TIP3 2776 -3.947 -0.694 3.245 1.00 0.00 WT1 O ATOM 10826 H1 TIP3 2776 6.313 24.869 -14.457 1.00 0.00 WT1 H ATOM 10827 H2 TIP3 2776 1.401 14.724 -4.709 1.00 0.00 WT1 H ATOM 10828 OH2 TIP3 2777 -8.201 -0.565 -1.263 1.00 0.00 WT1 O ATOM 10829 H1 TIP3 2777 -9.774 12.543 6.816 1.00 0.00 WT1 H ATOM 10830 H2 TIP3 2777 21.596 -13.022 -0.422 1.00 0.00 WT1 H ATOM 10831 OH2 TIP3 2778 3.284 4.958 2.167 1.00 0.00 WT1 O ATOM 10832 H1 TIP3 2778 -2.901 -3.231 9.901 1.00 0.00 WT1 H ATOM 10833 H2 TIP3 2778 -17.113 8.555 12.886 1.00 0.00 WT1 H ATOM 10834 OH2 TIP3 2779 -4.882 -0.595 -5.331 1.00 0.00 WT1 O ATOM 10835 H1 TIP3 2779 -10.590 -8.943 -7.158 1.00 0.00 WT1 H ATOM 10836 H2 TIP3 2779 -5.085 0.278 6.278 1.00 0.00 WT1 H ATOM 10837 OH2 TIP3 2780 3.117 -4.591 2.270 1.00 0.00 WT1 O ATOM 10838 H1 TIP3 2780 2.863 -3.511 7.419 1.00 0.00 WT1 H ATOM 10839 H2 TIP3 2780 -3.912 -8.065 -0.710 1.00 0.00 WT1 H ATOM 10840 OH2 TIP3 2781 2.471 4.575 -3.312 1.00 0.00 WT1 O ATOM 10841 H1 TIP3 2781 -8.332 4.216 28.970 1.00 0.00 WT1 H ATOM 10842 H2 TIP3 2781 -6.650 1.172 6.194 1.00 0.00 WT1 H ATOM 10843 OH2 TIP3 2784 -1.844 3.491 -1.595 1.00 0.00 WT1 O ATOM 10844 H1 TIP3 2784 -19.341 17.242 -0.250 1.00 0.00 WT1 H ATOM 10845 H2 TIP3 2784 6.112 1.467 3.879 1.00 0.00 WT1 H ATOM 10846 OH2 TIP3 2785 5.463 3.079 -6.076 1.00 0.00 WT1 O ATOM 10847 H1 TIP3 2785 -2.403 19.594 14.924 1.00 0.00 WT1 H ATOM 10848 H2 TIP3 2785 5.565 -4.641 6.753 1.00 0.00 WT1 H ATOM 10849 OH2 TIP3 2786 -2.772 3.576 5.554 1.00 0.00 WT1 O ATOM 10850 H1 TIP3 2786 -8.884 -1.894 4.320 1.00 0.00 WT1 H ATOM 10851 H2 TIP3 2786 -0.571 9.108 10.161 1.00 0.00 WT1 H ATOM 10852 OH2 TIP3 2788 3.907 1.258 -1.700 1.00 0.00 WT1 O ATOM 10853 H1 TIP3 2788 5.487 11.694 8.908 1.00 0.00 WT1 H ATOM 10854 H2 TIP3 2788 9.256 -18.362 -23.637 1.00 0.00 WT1 H ATOM 10855 OH2 TIP3 2789 0.824 -9.067 -0.165 1.00 0.00 WT1 O ATOM 10856 H1 TIP3 2789 -14.599 -17.516 -15.687 1.00 0.00 WT1 H ATOM 10857 H2 TIP3 2789 7.059 0.016 -10.399 1.00 0.00 WT1 H ATOM 10858 OH2 TIP3 2791 0.286 3.280 4.205 1.00 0.00 WT1 O ATOM 10859 H1 TIP3 2791 -1.893 -16.671 7.016 1.00 0.00 WT1 H ATOM 10860 H2 TIP3 2791 -11.968 -15.067 12.760 1.00 0.00 WT1 H ATOM 10861 OH2 TIP3 2792 4.442 -0.040 3.035 1.00 0.00 WT1 O ATOM 10862 H1 TIP3 2792 6.184 -5.301 0.539 1.00 0.00 WT1 H ATOM 10863 H2 TIP3 2792 2.511 5.725 2.497 1.00 0.00 WT1 H ATOM 10864 OH2 TIP3 2794 2.382 -5.237 1.290 1.00 0.00 WT1 O ATOM 10865 H1 TIP3 2794 1.103 -2.280 5.148 1.00 0.00 WT1 H ATOM 10866 H2 TIP3 2794 5.027 -10.208 4.411 1.00 0.00 WT1 H ATOM 10867 OH2 TIP3 2795 2.194 0.232 5.239 1.00 0.00 WT1 O ATOM 10868 H1 TIP3 2795 -0.042 -3.828 4.448 1.00 0.00 WT1 H ATOM 10869 H2 TIP3 2795 -4.123 -2.246 -8.659 1.00 0.00 WT1 H ATOM 10870 OH2 TIP3 2796 0.126 0.151 1.753 1.00 0.00 WT1 O ATOM 10871 H1 TIP3 2796 -3.733 -10.943 11.187 1.00 0.00 WT1 H ATOM 10872 H2 TIP3 2796 -1.955 -13.977 -9.376 1.00 0.00 WT1 H ATOM 10873 OH2 TIP3 2797 -2.490 -2.661 6.772 1.00 0.00 WT1 O ATOM 10874 H1 TIP3 2797 11.270 -30.334 -5.030 1.00 0.00 WT1 H ATOM 10875 H2 TIP3 2797 -25.183 -2.401 -1.766 1.00 0.00 WT1 H ATOM 10876 OH2 TIP3 2798 0.530 -2.170 4.949 1.00 0.00 WT1 O ATOM 10877 H1 TIP3 2798 -35.293 4.430 -16.249 1.00 0.00 WT1 H ATOM 10878 H2 TIP3 2798 -7.256 9.116 3.822 1.00 0.00 WT1 H ATOM 10879 OH2 TIP3 2800 -0.374 0.324 4.205 1.00 0.00 WT1 O ATOM 10880 H1 TIP3 2800 -4.409 -7.957 21.894 1.00 0.00 WT1 H ATOM 10881 H2 TIP3 2800 4.226 4.194 -12.346 1.00 0.00 WT1 H ATOM 10882 OH2 TIP3 2801 -1.975 1.966 0.937 1.00 0.00 WT1 O ATOM 10883 H1 TIP3 2801 -2.508 -0.083 10.347 1.00 0.00 WT1 H ATOM 10884 H2 TIP3 2801 -9.822 11.742 2.145 1.00 0.00 WT1 H ATOM 10885 OH2 TIP3 2802 -4.830 -1.206 -0.144 1.00 0.00 WT1 O ATOM 10886 H1 TIP3 2802 18.617 24.511 -3.232 1.00 0.00 WT1 H ATOM 10887 H2 TIP3 2802 -4.830 10.337 12.455 1.00 0.00 WT1 H ATOM 10888 OH2 TIP3 2804 6.674 -0.541 -1.571 1.00 0.00 WT1 O ATOM 10889 H1 TIP3 2804 -1.225 -1.472 4.047 1.00 0.00 WT1 H ATOM 10890 H2 TIP3 2804 7.079 8.260 -4.299 1.00 0.00 WT1 H ATOM 10891 OH2 TIP3 2806 -0.824 2.700 -2.672 1.00 0.00 WT1 O ATOM 10892 H1 TIP3 2806 9.287 -13.952 -14.917 1.00 0.00 WT1 H ATOM 10893 H2 TIP3 2806 3.437 13.235 7.930 1.00 0.00 WT1 H ATOM 10894 OH2 TIP3 2809 -3.129 -1.089 -1.521 1.00 0.00 WT1 O ATOM 10895 H1 TIP3 2809 -3.212 -5.443 -6.230 1.00 0.00 WT1 H ATOM 10896 H2 TIP3 2809 2.510 13.251 11.258 1.00 0.00 WT1 H ATOM 10897 OH2 TIP3 2810 3.680 3.056 2.499 1.00 0.00 WT1 O ATOM 10898 H1 TIP3 2810 0.616 3.947 4.780 1.00 0.00 WT1 H ATOM 10899 H2 TIP3 2810 8.677 7.997 -6.707 1.00 0.00 WT1 H ATOM 10900 OH2 TIP3 2811 2.185 -4.901 -2.047 1.00 0.00 WT1 O ATOM 10901 H1 TIP3 2811 -5.485 -3.869 -7.965 1.00 0.00 WT1 H ATOM 10902 H2 TIP3 2811 9.373 1.210 -11.005 1.00 0.00 WT1 H ATOM 10903 OH2 TIP3 2812 -1.823 1.882 5.384 1.00 0.00 WT1 O ATOM 10904 H1 TIP3 2812 5.098 28.468 7.686 1.00 0.00 WT1 H ATOM 10905 H2 TIP3 2812 4.704 -17.243 30.835 1.00 0.00 WT1 H ATOM 10906 OH2 TIP3 2813 2.956 -2.135 4.603 1.00 0.00 WT1 O ATOM 10907 H1 TIP3 2813 10.117 -3.730 8.706 1.00 0.00 WT1 H ATOM 10908 H2 TIP3 2813 1.718 -7.930 11.165 1.00 0.00 WT1 H ATOM 10909 OH2 TIP3 2814 1.896 -2.647 -1.619 1.00 0.00 WT1 O ATOM 10910 H1 TIP3 2814 -6.415 -2.831 5.199 1.00 0.00 WT1 H ATOM 10911 H2 TIP3 2814 -5.987 -0.234 -3.212 1.00 0.00 WT1 H ATOM 10912 OH2 TIP3 2815 -5.569 -0.418 6.670 1.00 0.00 WT1 O ATOM 10913 H1 TIP3 2815 -13.034 -12.519 -6.325 1.00 0.00 WT1 H ATOM 10914 H2 TIP3 2815 2.812 -23.333 14.442 1.00 0.00 WT1 H ATOM 10915 OH2 TIP3 2816 0.690 3.912 6.401 1.00 0.00 WT1 O ATOM 10916 H1 TIP3 2816 4.439 5.579 3.605 1.00 0.00 WT1 H ATOM 10917 H2 TIP3 2816 -0.138 -2.219 4.175 1.00 0.00 WT1 H ATOM 10918 OH2 TIP3 2817 -5.582 6.661 1.240 1.00 0.00 WT1 O ATOM 10919 H1 TIP3 2817 -13.403 8.980 9.813 1.00 0.00 WT1 H ATOM 10920 H2 TIP3 2817 3.226 12.823 4.616 1.00 0.00 WT1 H ATOM 10921 OH2 TIP3 2818 6.822 -3.024 4.569 1.00 0.00 WT1 O ATOM 10922 H1 TIP3 2818 7.019 -6.280 -1.705 1.00 0.00 WT1 H ATOM 10923 H2 TIP3 2818 11.155 3.066 6.816 1.00 0.00 WT1 H ATOM 10924 OH2 TIP3 2819 1.278 1.540 -1.711 1.00 0.00 WT1 O ATOM 10925 H1 TIP3 2819 13.719 16.258 -4.707 1.00 0.00 WT1 H ATOM 10926 H2 TIP3 2819 17.007 20.355 -6.269 1.00 0.00 WT1 H ATOM 10927 OH2 TIP3 2820 -1.547 2.731 -1.424 1.00 0.00 WT1 O ATOM 10928 H1 TIP3 2820 -8.168 -12.704 -8.693 1.00 0.00 WT1 H ATOM 10929 H2 TIP3 2820 0.518 11.699 -14.469 1.00 0.00 WT1 H ATOM 10930 OH2 TIP3 2821 11.528 3.717 -3.106 1.00 0.00 WT1 O ATOM 10931 H1 TIP3 2821 -1.705 9.587 15.033 1.00 0.00 WT1 H ATOM 10932 H2 TIP3 2821 11.862 5.622 -23.639 1.00 0.00 WT1 H ATOM 10933 OH2 TIP3 2822 -5.682 -4.683 2.668 1.00 0.00 WT1 O ATOM 10934 H1 TIP3 2822 6.993 -24.216 0.069 1.00 0.00 WT1 H ATOM 10935 H2 TIP3 2822 -14.333 -1.468 -0.162 1.00 0.00 WT1 H ATOM 10936 OH2 TIP3 2823 0.588 -4.688 -1.427 1.00 0.00 WT1 O ATOM 10937 H1 TIP3 2823 0.629 13.252 5.628 1.00 0.00 WT1 H ATOM 10938 H2 TIP3 2823 6.570 5.779 -16.119 1.00 0.00 WT1 H ATOM 10939 OH2 TIP3 2824 0.969 -5.446 2.357 1.00 0.00 WT1 O ATOM 10940 H1 TIP3 2824 -10.298 12.993 4.899 1.00 0.00 WT1 H ATOM 10941 H2 TIP3 2824 0.290 -9.656 -17.109 1.00 0.00 WT1 H ATOM 10942 OH2 TIP3 2825 4.067 -2.982 -2.038 1.00 0.00 WT1 O ATOM 10943 H1 TIP3 2825 31.635 -1.554 14.399 1.00 0.00 WT1 H ATOM 10944 H2 TIP3 2825 -13.421 -6.401 13.497 1.00 0.00 WT1 H ATOM 10945 OH2 TIP3 2826 -3.286 1.951 -6.743 1.00 0.00 WT1 O ATOM 10946 H1 TIP3 2826 1.482 9.252 -0.454 1.00 0.00 WT1 H ATOM 10947 H2 TIP3 2826 -9.209 -11.838 -20.508 1.00 0.00 WT1 H ATOM 10948 OH2 TIP3 2827 -7.990 -3.738 2.889 1.00 0.00 WT1 O ATOM 10949 H1 TIP3 2827 -19.999 -13.301 15.049 1.00 0.00 WT1 H ATOM 10950 H2 TIP3 2827 9.345 -4.040 13.054 1.00 0.00 WT1 H ATOM 10951 OH2 TIP3 2830 3.450 3.709 1.646 1.00 0.00 WT1 O ATOM 10952 H1 TIP3 2830 7.770 -4.085 -3.176 1.00 0.00 WT1 H ATOM 10953 H2 TIP3 2830 17.466 -1.748 -6.163 1.00 0.00 WT1 H ATOM 10954 OH2 TIP3 2831 1.174 2.711 3.582 1.00 0.00 WT1 O ATOM 10955 H1 TIP3 2831 2.446 4.298 2.059 1.00 0.00 WT1 H ATOM 10956 H2 TIP3 2831 -15.844 -11.097 29.878 1.00 0.00 WT1 H ATOM 10957 OH2 TIP3 2832 5.381 -3.334 -0.591 1.00 0.00 WT1 O ATOM 10958 H1 TIP3 2832 -16.028 21.693 -7.376 1.00 0.00 WT1 H ATOM 10959 H2 TIP3 2832 -20.833 -11.744 -1.442 1.00 0.00 WT1 H ATOM 10960 OH2 TIP3 2833 0.942 0.525 -1.191 1.00 0.00 WT1 O ATOM 10961 H1 TIP3 2833 2.762 -0.743 -8.561 1.00 0.00 WT1 H ATOM 10962 H2 TIP3 2833 10.538 -24.235 -20.733 1.00 0.00 WT1 H ATOM 10963 OH2 TIP3 2834 -0.369 1.775 6.039 1.00 0.00 WT1 O ATOM 10964 H1 TIP3 2834 -5.153 -9.874 -11.210 1.00 0.00 WT1 H ATOM 10965 H2 TIP3 2834 -13.923 18.627 5.055 1.00 0.00 WT1 H ATOM 10966 OH2 TIP3 2835 -0.400 -1.193 9.578 1.00 0.00 WT1 O ATOM 10967 H1 TIP3 2835 12.772 -12.066 7.429 1.00 0.00 WT1 H ATOM 10968 H2 TIP3 2835 -16.193 9.241 10.882 1.00 0.00 WT1 H ATOM 10969 OH2 TIP3 2836 -7.778 1.782 2.555 1.00 0.00 WT1 O ATOM 10970 H1 TIP3 2836 10.462 4.874 -13.101 1.00 0.00 WT1 H ATOM 10971 H2 TIP3 2836 -8.415 -20.759 10.822 1.00 0.00 WT1 H ATOM 10972 OH2 TIP3 2837 -4.788 -1.028 -3.998 1.00 0.00 WT1 O ATOM 10973 H1 TIP3 2837 -13.267 -3.689 0.749 1.00 0.00 WT1 H ATOM 10974 H2 TIP3 2837 12.147 -17.253 -11.890 1.00 0.00 WT1 H ATOM 10975 OH2 TIP3 2838 -0.251 -1.438 3.833 1.00 0.00 WT1 O ATOM 10976 H1 TIP3 2838 4.880 13.028 1.411 1.00 0.00 WT1 H ATOM 10977 H2 TIP3 2838 8.635 0.989 -0.726 1.00 0.00 WT1 H ATOM 10978 OH2 TIP3 2839 -2.751 -1.780 -1.895 1.00 0.00 WT1 O ATOM 10979 H1 TIP3 2839 0.588 3.876 -12.277 1.00 0.00 WT1 H ATOM 10980 H2 TIP3 2839 32.424 -0.971 -10.073 1.00 0.00 WT1 H ATOM 10981 OH2 TIP3 2840 -5.475 8.115 0.342 1.00 0.00 WT1 O ATOM 10982 H1 TIP3 2840 -0.944 -4.285 -4.083 1.00 0.00 WT1 H ATOM 10983 H2 TIP3 2840 -3.818 20.308 10.507 1.00 0.00 WT1 H ATOM 10984 OH2 TIP3 2841 1.027 -3.016 3.889 1.00 0.00 WT1 O ATOM 10985 H1 TIP3 2841 -6.520 -23.142 19.274 1.00 0.00 WT1 H ATOM 10986 H2 TIP3 2841 17.334 0.964 21.536 1.00 0.00 WT1 H ATOM 10987 OH2 TIP3 2842 -0.838 4.076 -2.555 1.00 0.00 WT1 O ATOM 10988 H1 TIP3 2842 1.137 5.306 6.867 1.00 0.00 WT1 H ATOM 10989 H2 TIP3 2842 2.319 -4.514 -4.741 1.00 0.00 WT1 H ATOM 10990 OH2 TIP3 2843 -0.548 -0.197 -3.809 1.00 0.00 WT1 O ATOM 10991 H1 TIP3 2843 15.064 13.880 -25.976 1.00 0.00 WT1 H ATOM 10992 H2 TIP3 2843 4.921 -4.011 2.345 1.00 0.00 WT1 H ATOM 10993 OH2 TIP3 2844 5.439 -1.205 2.057 1.00 0.00 WT1 O ATOM 10994 H1 TIP3 2844 -0.949 -0.957 -5.148 1.00 0.00 WT1 H ATOM 10995 H2 TIP3 2844 -4.856 0.525 -22.846 1.00 0.00 WT1 H ATOM 10996 OH2 TIP3 2845 3.341 2.176 -1.599 1.00 0.00 WT1 O ATOM 10997 H1 TIP3 2845 16.076 2.805 12.602 1.00 0.00 WT1 H ATOM 10998 H2 TIP3 2845 6.218 -9.053 -12.905 1.00 0.00 WT1 H ATOM 10999 OH2 TIP3 2846 -1.624 -4.017 -6.690 1.00 0.00 WT1 O ATOM 11000 H1 TIP3 2846 0.532 7.993 -11.755 1.00 0.00 WT1 H ATOM 11001 H2 TIP3 2846 5.691 0.634 4.852 1.00 0.00 WT1 H ATOM 11002 OH2 TIP3 2849 1.728 -1.524 -3.458 1.00 0.00 WT1 O ATOM 11003 H1 TIP3 2849 -9.776 4.002 6.222 1.00 0.00 WT1 H ATOM 11004 H2 TIP3 2849 13.873 1.212 10.340 1.00 0.00 WT1 H ATOM 11005 OH2 TIP3 2851 -2.709 8.746 7.480 1.00 0.00 WT1 O ATOM 11006 H1 TIP3 2851 -16.674 -3.217 2.974 1.00 0.00 WT1 H ATOM 11007 H2 TIP3 2851 6.342 0.391 -13.827 1.00 0.00 WT1 H ATOM 11008 OH2 TIP3 2852 -5.593 11.837 -1.857 1.00 0.00 WT1 O ATOM 11009 H1 TIP3 2852 -10.329 -1.248 -1.601 1.00 0.00 WT1 H ATOM 11010 H2 TIP3 2852 -2.064 21.264 -2.122 1.00 0.00 WT1 H ATOM 11011 OH2 TIP3 2853 3.254 -0.715 -3.752 1.00 0.00 WT1 O ATOM 11012 H1 TIP3 2853 14.974 7.243 -13.422 1.00 0.00 WT1 H ATOM 11013 H2 TIP3 2853 5.543 -3.493 -10.301 1.00 0.00 WT1 H ATOM 11014 OH2 TIP3 2854 -5.447 -0.005 2.917 1.00 0.00 WT1 O ATOM 11015 H1 TIP3 2854 -14.785 -1.561 13.428 1.00 0.00 WT1 H ATOM 11016 H2 TIP3 2854 -3.281 -4.560 -3.103 1.00 0.00 WT1 H ATOM 11017 OH2 TIP3 2855 2.287 -1.325 4.692 1.00 0.00 WT1 O ATOM 11018 H1 TIP3 2855 -0.905 -19.664 -12.013 1.00 0.00 WT1 H ATOM 11019 H2 TIP3 2855 -10.737 22.140 -3.836 1.00 0.00 WT1 H ATOM 11020 OH2 TIP3 2856 1.969 -2.972 -6.192 1.00 0.00 WT1 O ATOM 11021 H1 TIP3 2856 11.625 1.847 -2.674 1.00 0.00 WT1 H ATOM 11022 H2 TIP3 2856 -8.873 -8.835 -10.073 1.00 0.00 WT1 H ATOM 11023 OH2 TIP3 2857 3.232 2.522 0.411 1.00 0.00 WT1 O ATOM 11024 H1 TIP3 2857 2.376 -1.747 12.029 1.00 0.00 WT1 H ATOM 11025 H2 TIP3 2857 2.748 2.598 -7.562 1.00 0.00 WT1 H ATOM 11026 OH2 TIP3 2858 -2.981 0.324 -0.796 1.00 0.00 WT1 O ATOM 11027 H1 TIP3 2858 -7.865 12.747 10.127 1.00 0.00 WT1 H ATOM 11028 H2 TIP3 2858 3.627 7.329 -3.055 1.00 0.00 WT1 H ATOM 11029 OH2 TIP3 2859 -2.234 -5.305 2.084 1.00 0.00 WT1 O ATOM 11030 H1 TIP3 2859 -1.022 7.340 11.016 1.00 0.00 WT1 H ATOM 11031 H2 TIP3 2859 3.860 15.905 5.647 1.00 0.00 WT1 H ATOM 11032 OH2 TIP3 2860 -0.831 1.386 1.459 1.00 0.00 WT1 O ATOM 11033 H1 TIP3 2860 0.537 12.184 5.600 1.00 0.00 WT1 H ATOM 11034 H2 TIP3 2860 -3.934 2.271 -3.833 1.00 0.00 WT1 H ATOM 11035 OH2 TIP3 2861 -1.052 2.841 -3.940 1.00 0.00 WT1 O ATOM 11036 H1 TIP3 2861 4.829 12.001 -26.098 1.00 0.00 WT1 H ATOM 11037 H2 TIP3 2861 7.212 -7.903 5.085 1.00 0.00 WT1 H ATOM 11038 OH2 TIP3 2862 -1.479 -4.490 5.324 1.00 0.00 WT1 O ATOM 11039 H1 TIP3 2862 -7.530 -1.156 13.252 1.00 0.00 WT1 H ATOM 11040 H2 TIP3 2862 11.998 -8.282 -0.710 1.00 0.00 WT1 H ATOM 11041 OH2 TIP3 2863 -5.270 -2.058 1.181 1.00 0.00 WT1 O ATOM 11042 H1 TIP3 2863 6.756 -24.658 9.802 1.00 0.00 WT1 H ATOM 11043 H2 TIP3 2863 15.616 -1.852 6.094 1.00 0.00 WT1 H ATOM 11044 OH2 TIP3 2864 -1.950 -4.730 1.121 1.00 0.00 WT1 O ATOM 11045 H1 TIP3 2864 -14.844 0.779 -3.163 1.00 0.00 WT1 H ATOM 11046 H2 TIP3 2864 14.225 12.961 -11.344 1.00 0.00 WT1 H ATOM 11047 OH2 TIP3 2865 -2.392 0.564 6.312 1.00 0.00 WT1 O ATOM 11048 H1 TIP3 2865 13.703 -3.469 -8.643 1.00 0.00 WT1 H ATOM 11049 H2 TIP3 2865 -0.235 12.189 -7.293 1.00 0.00 WT1 H ATOM 11050 OH2 TIP3 2866 -1.788 4.313 0.509 1.00 0.00 WT1 O ATOM 11051 H1 TIP3 2866 31.496 8.811 -17.156 1.00 0.00 WT1 H ATOM 11052 H2 TIP3 2866 -21.072 -2.414 -7.450 1.00 0.00 WT1 H ATOM 11053 OH2 TIP3 2867 -2.201 -6.844 3.014 1.00 0.00 WT1 O ATOM 11054 H1 TIP3 2867 -4.439 -4.178 3.599 1.00 0.00 WT1 H ATOM 11055 H2 TIP3 2867 0.606 -17.523 10.942 1.00 0.00 WT1 H ATOM 11056 OH2 TIP3 2868 -2.048 -2.478 -0.050 1.00 0.00 WT1 O ATOM 11057 H1 TIP3 2868 3.177 -5.156 -4.404 1.00 0.00 WT1 H ATOM 11058 H2 TIP3 2868 5.916 -7.987 -6.827 1.00 0.00 WT1 H ATOM 11059 OH2 TIP3 2871 -0.738 3.537 -0.342 1.00 0.00 WT1 O ATOM 11060 H1 TIP3 2871 9.406 -4.379 29.284 1.00 0.00 WT1 H ATOM 11061 H2 TIP3 2871 22.593 1.107 -3.030 1.00 0.00 WT1 H ATOM 11062 OH2 TIP3 2872 3.794 -3.022 2.718 1.00 0.00 WT1 O ATOM 11063 H1 TIP3 2872 11.164 -13.992 -8.645 1.00 0.00 WT1 H ATOM 11064 H2 TIP3 2872 18.420 5.968 6.325 1.00 0.00 WT1 H ATOM 11065 OH2 TIP3 2873 -1.344 -5.275 -2.524 1.00 0.00 WT1 O ATOM 11066 H1 TIP3 2873 -16.234 -12.117 -1.741 1.00 0.00 WT1 H ATOM 11067 H2 TIP3 2873 -12.833 -9.935 -2.886 1.00 0.00 WT1 H ATOM 11068 OH2 TIP3 2874 2.013 1.732 -5.352 1.00 0.00 WT1 O ATOM 11069 H1 TIP3 2874 1.013 -4.676 -9.496 1.00 0.00 WT1 H ATOM 11070 H2 TIP3 2874 1.447 6.980 -10.025 1.00 0.00 WT1 H ATOM 11071 OH2 TIP3 2875 -4.484 3.171 -1.466 1.00 0.00 WT1 O ATOM 11072 H1 TIP3 2875 -15.385 3.195 -16.015 1.00 0.00 WT1 H ATOM 11073 H2 TIP3 2875 1.562 -14.973 -0.491 1.00 0.00 WT1 H ATOM 11074 OH2 TIP3 2876 7.356 1.253 3.987 1.00 0.00 WT1 O ATOM 11075 H1 TIP3 2876 20.102 1.731 -3.369 1.00 0.00 WT1 H ATOM 11076 H2 TIP3 2876 -12.165 3.274 23.328 1.00 0.00 WT1 H ATOM 11077 OH2 TIP3 2877 0.410 0.448 0.719 1.00 0.00 WT1 O ATOM 11078 H1 TIP3 2877 11.417 2.458 -9.975 1.00 0.00 WT1 H ATOM 11079 H2 TIP3 2877 -0.089 -9.765 -2.005 1.00 0.00 WT1 H ATOM 11080 OH2 TIP3 2878 -0.157 -4.961 3.081 1.00 0.00 WT1 O ATOM 11081 H1 TIP3 2878 3.673 -2.614 7.390 1.00 0.00 WT1 H ATOM 11082 H2 TIP3 2878 2.424 -8.858 -2.513 1.00 0.00 WT1 H ATOM 11083 OH2 TIP3 2879 -3.346 2.724 4.144 1.00 0.00 WT1 O ATOM 11084 H1 TIP3 2879 15.879 13.804 5.305 1.00 0.00 WT1 H ATOM 11085 H2 TIP3 2879 -9.973 1.023 -8.352 1.00 0.00 WT1 H ATOM 11086 OH2 TIP3 2880 -9.965 5.018 8.377 1.00 0.00 WT1 O ATOM 11087 H1 TIP3 2880 1.684 13.074 9.098 1.00 0.00 WT1 H ATOM 11088 H2 TIP3 2880 -2.935 -4.053 -10.194 1.00 0.00 WT1 H ATOM 11089 OH2 TIP3 2881 -4.645 -1.042 -3.544 1.00 0.00 WT1 O ATOM 11090 H1 TIP3 2881 6.870 -5.672 -15.305 1.00 0.00 WT1 H ATOM 11091 H2 TIP3 2881 -1.232 -16.900 9.743 1.00 0.00 WT1 H ATOM 11092 OH2 TIP3 2882 2.197 4.660 -2.186 1.00 0.00 WT1 O ATOM 11093 H1 TIP3 2882 -7.732 -11.636 -2.599 1.00 0.00 WT1 H ATOM 11094 H2 TIP3 2882 -0.778 10.745 -15.384 1.00 0.00 WT1 H ATOM 11095 OH2 TIP3 2883 3.443 -2.967 4.280 1.00 0.00 WT1 O ATOM 11096 H1 TIP3 2883 -22.024 -8.281 2.065 1.00 0.00 WT1 H ATOM 11097 H2 TIP3 2883 9.151 -29.764 14.697 1.00 0.00 WT1 H ATOM 11098 OH2 TIP3 2884 4.095 5.426 -1.501 1.00 0.00 WT1 O ATOM 11099 H1 TIP3 2884 -3.553 2.544 0.358 1.00 0.00 WT1 H ATOM 11100 H2 TIP3 2884 10.998 13.360 -5.054 1.00 0.00 WT1 H ATOM 11101 OH2 TIP3 2886 -3.271 0.864 2.045 1.00 0.00 WT1 O ATOM 11102 H1 TIP3 2886 4.035 -1.114 -8.900 1.00 0.00 WT1 H ATOM 11103 H2 TIP3 2886 -9.932 8.458 17.807 1.00 0.00 WT1 H ATOM 11104 OH2 TIP3 2887 -1.321 0.929 1.122 1.00 0.00 WT1 O ATOM 11105 H1 TIP3 2887 14.198 -14.351 -20.409 1.00 0.00 WT1 H ATOM 11106 H2 TIP3 2887 3.177 14.127 -21.688 1.00 0.00 WT1 H ATOM 11107 OH2 TIP3 2889 -7.055 -2.784 0.197 1.00 0.00 WT1 O ATOM 11108 H1 TIP3 2889 -2.265 -12.416 18.014 1.00 0.00 WT1 H ATOM 11109 H2 TIP3 2889 -7.943 4.951 13.776 1.00 0.00 WT1 H ATOM 11110 OH2 TIP3 2890 0.371 0.858 5.779 1.00 0.00 WT1 O ATOM 11111 H1 TIP3 2890 -0.830 16.999 -27.050 1.00 0.00 WT1 H ATOM 11112 H2 TIP3 2890 -12.468 0.166 -6.558 1.00 0.00 WT1 H ATOM 11113 OH2 TIP3 2891 -4.481 -6.271 -3.206 1.00 0.00 WT1 O ATOM 11114 H1 TIP3 2891 -16.671 3.579 -17.354 1.00 0.00 WT1 H ATOM 11115 H2 TIP3 2891 11.084 -10.874 -9.697 1.00 0.00 WT1 H ATOM 11116 OH2 TIP3 2894 2.928 -1.485 -0.911 1.00 0.00 WT1 O ATOM 11117 H1 TIP3 2894 10.149 -3.312 -8.786 1.00 0.00 WT1 H ATOM 11118 H2 TIP3 2894 -0.779 -3.224 1.852 1.00 0.00 WT1 H ATOM 11119 OH2 TIP3 2895 -2.335 -5.694 -1.060 1.00 0.00 WT1 O ATOM 11120 H1 TIP3 2895 1.728 -10.052 16.720 1.00 0.00 WT1 H ATOM 11121 H2 TIP3 2895 2.340 -2.449 -4.975 1.00 0.00 WT1 H ATOM 11122 OH2 TIP3 2896 4.074 2.131 -2.110 1.00 0.00 WT1 O ATOM 11123 H1 TIP3 2896 0.727 6.993 7.392 1.00 0.00 WT1 H ATOM 11124 H2 TIP3 2896 11.596 7.655 21.272 1.00 0.00 WT1 H ATOM 11125 OH2 TIP3 2898 -0.624 -0.127 -2.037 1.00 0.00 WT1 O ATOM 11126 H1 TIP3 2898 -5.788 -12.874 -12.275 1.00 0.00 WT1 H ATOM 11127 H2 TIP3 2898 4.232 12.745 -11.445 1.00 0.00 WT1 H ATOM 11128 OH2 TIP3 2899 -1.903 -1.529 1.782 1.00 0.00 WT1 O ATOM 11129 H1 TIP3 2899 -4.353 -12.427 14.256 1.00 0.00 WT1 H ATOM 11130 H2 TIP3 2899 -23.686 -2.409 7.643 1.00 0.00 WT1 H ATOM 11131 OH2 TIP3 2900 3.151 2.568 3.836 1.00 0.00 WT1 O ATOM 11132 H1 TIP3 2900 4.929 -12.973 3.045 1.00 0.00 WT1 H ATOM 11133 H2 TIP3 2900 2.011 3.529 1.783 1.00 0.00 WT1 H ATOM 11134 OH2 TIP3 2901 -6.348 -7.883 -4.571 1.00 0.00 WT1 O ATOM 11135 H1 TIP3 2901 -21.620 -17.191 19.234 1.00 0.00 WT1 H ATOM 11136 H2 TIP3 2901 -7.100 -6.118 -5.912 1.00 0.00 WT1 H ATOM 11137 OH2 TIP3 2902 1.105 -4.515 2.704 1.00 0.00 WT1 O ATOM 11138 H1 TIP3 2902 -0.709 4.576 -18.612 1.00 0.00 WT1 H ATOM 11139 H2 TIP3 2902 2.645 -7.780 23.497 1.00 0.00 WT1 H ATOM 11140 OH2 TIP3 2903 -0.872 -2.838 6.228 1.00 0.00 WT1 O ATOM 11141 H1 TIP3 2903 2.273 -5.251 22.527 1.00 0.00 WT1 H ATOM 11142 H2 TIP3 2903 -7.189 13.604 -13.279 1.00 0.00 WT1 H ATOM 11143 OH2 TIP3 2904 -5.909 5.427 2.946 1.00 0.00 WT1 O ATOM 11144 H1 TIP3 2904 -0.650 -0.716 -35.882 1.00 0.00 WT1 H ATOM 11145 H2 TIP3 2904 -8.871 0.614 10.490 1.00 0.00 WT1 H ATOM 11146 OH2 TIP3 2905 -1.985 1.080 -1.387 1.00 0.00 WT1 O ATOM 11147 H1 TIP3 2905 -20.246 -0.817 16.098 1.00 0.00 WT1 H ATOM 11148 H2 TIP3 2905 0.285 2.636 10.942 1.00 0.00 WT1 H ATOM 11149 OH2 TIP3 2906 -1.512 3.176 -5.499 1.00 0.00 WT1 O ATOM 11150 H1 TIP3 2906 -2.699 -16.404 5.040 1.00 0.00 WT1 H ATOM 11151 H2 TIP3 2906 -8.561 10.818 -10.001 1.00 0.00 WT1 H ATOM 11152 OH2 TIP3 2908 0.395 1.551 -7.858 1.00 0.00 WT1 O ATOM 11153 H1 TIP3 2908 8.407 -3.104 -10.600 1.00 0.00 WT1 H ATOM 11154 H2 TIP3 2908 -15.252 17.673 6.966 1.00 0.00 WT1 H ATOM 11155 OH2 TIP3 2909 -4.462 -3.565 1.393 1.00 0.00 WT1 O ATOM 11156 H1 TIP3 2909 8.614 -32.034 2.837 1.00 0.00 WT1 H ATOM 11157 H2 TIP3 2909 -19.012 -17.896 -20.992 1.00 0.00 WT1 H ATOM 11158 OH2 TIP3 2910 -0.514 -8.283 6.346 1.00 0.00 WT1 O ATOM 11159 H1 TIP3 2910 -14.509 -10.990 -8.357 1.00 0.00 WT1 H ATOM 11160 H2 TIP3 2910 -3.292 -7.237 15.612 1.00 0.00 WT1 H ATOM 11161 OH2 TIP3 2912 4.816 3.422 -1.911 1.00 0.00 WT1 O ATOM 11162 H1 TIP3 2912 -2.021 3.646 1.438 1.00 0.00 WT1 H ATOM 11163 H2 TIP3 2912 2.695 4.481 -9.188 1.00 0.00 WT1 H ATOM 11164 OH2 TIP3 2913 -1.402 -3.253 -3.172 1.00 0.00 WT1 O ATOM 11165 H1 TIP3 2913 -18.126 2.136 -21.343 1.00 0.00 WT1 H ATOM 11166 H2 TIP3 2913 5.872 -16.472 -12.131 1.00 0.00 WT1 H ATOM 11167 OH2 TIP3 2914 1.709 3.105 -2.439 1.00 0.00 WT1 O ATOM 11168 H1 TIP3 2914 1.198 -6.163 10.233 1.00 0.00 WT1 H ATOM 11169 H2 TIP3 2914 4.962 4.891 16.506 1.00 0.00 WT1 H ATOM 11170 OH2 TIP3 2916 7.033 2.478 -2.484 1.00 0.00 WT1 O ATOM 11171 H1 TIP3 2916 5.010 15.599 13.589 1.00 0.00 WT1 H ATOM 11172 H2 TIP3 2916 7.606 -1.611 -6.855 1.00 0.00 WT1 H ATOM 11173 OH2 TIP3 2917 -0.074 0.264 -2.451 1.00 0.00 WT1 O ATOM 11174 H1 TIP3 2917 17.618 -10.242 -8.512 1.00 0.00 WT1 H ATOM 11175 H2 TIP3 2917 -12.445 -3.324 -5.151 1.00 0.00 WT1 H ATOM 11176 OH2 TIP3 2918 -1.201 -2.400 -4.744 1.00 0.00 WT1 O ATOM 11177 H1 TIP3 2918 -8.340 -16.745 -9.872 1.00 0.00 WT1 H ATOM 11178 H2 TIP3 2918 0.619 2.058 -4.354 1.00 0.00 WT1 H ATOM 11179 OH2 TIP3 2919 2.500 4.069 6.102 1.00 0.00 WT1 O ATOM 11180 H1 TIP3 2919 20.820 -7.383 6.023 1.00 0.00 WT1 H ATOM 11181 H2 TIP3 2919 6.891 -1.839 2.531 1.00 0.00 WT1 H ATOM 11182 OH2 TIP3 2920 3.106 -5.701 -4.332 1.00 0.00 WT1 O ATOM 11183 H1 TIP3 2920 -25.375 -1.722 12.855 1.00 0.00 WT1 H ATOM 11184 H2 TIP3 2920 16.336 -1.685 -24.012 1.00 0.00 WT1 H ATOM 11185 OH2 TIP3 2921 -0.417 -3.146 -0.406 1.00 0.00 WT1 O ATOM 11186 H1 TIP3 2921 -4.699 -3.956 8.739 1.00 0.00 WT1 H ATOM 11187 H2 TIP3 2921 0.468 1.117 -5.964 1.00 0.00 WT1 H ATOM 11188 OH2 TIP3 2922 -1.472 4.376 4.086 1.00 0.00 WT1 O ATOM 11189 H1 TIP3 2922 13.737 2.492 6.358 1.00 0.00 WT1 H ATOM 11190 H2 TIP3 2922 -6.069 2.961 3.192 1.00 0.00 WT1 H ATOM 11191 OH2 TIP3 2923 -3.170 -2.350 4.320 1.00 0.00 WT1 O ATOM 11192 H1 TIP3 2923 6.843 -4.000 7.474 1.00 0.00 WT1 H ATOM 11193 H2 TIP3 2923 -0.176 -10.527 -2.891 1.00 0.00 WT1 H ATOM 11194 OH2 TIP3 2925 1.588 -0.791 7.605 1.00 0.00 WT1 O ATOM 11195 H1 TIP3 2925 5.784 2.343 8.034 1.00 0.00 WT1 H ATOM 11196 H2 TIP3 2925 -1.585 -10.838 2.415 1.00 0.00 WT1 H ATOM 11197 OH2 TIP3 2926 -2.189 -2.646 -2.706 1.00 0.00 WT1 O ATOM 11198 H1 TIP3 2926 -4.440 1.514 7.526 1.00 0.00 WT1 H ATOM 11199 H2 TIP3 2926 8.311 3.273 -10.146 1.00 0.00 WT1 H ATOM 11200 OH2 TIP3 2927 -1.121 -7.415 5.275 1.00 0.00 WT1 O ATOM 11201 H1 TIP3 2927 4.805 -3.279 -13.869 1.00 0.00 WT1 H ATOM 11202 H2 TIP3 2927 -1.277 13.111 11.661 1.00 0.00 WT1 H ATOM 11203 OH2 TIP3 2928 3.104 7.821 6.341 1.00 0.00 WT1 O ATOM 11204 H1 TIP3 2928 -14.164 12.985 8.606 1.00 0.00 WT1 H ATOM 11205 H2 TIP3 2928 5.322 0.992 -1.603 1.00 0.00 WT1 H ATOM 11206 OH2 TIP3 2930 2.483 -0.907 -1.279 1.00 0.00 WT1 O ATOM 11207 H1 TIP3 2930 7.319 -4.862 -8.928 1.00 0.00 WT1 H ATOM 11208 H2 TIP3 2930 4.030 -1.005 6.485 1.00 0.00 WT1 H ATOM 11209 OH2 TIP3 2931 -0.771 2.651 -5.530 1.00 0.00 WT1 O ATOM 11210 H1 TIP3 2931 13.541 12.220 -12.069 1.00 0.00 WT1 H ATOM 11211 H2 TIP3 2931 -5.131 -2.414 -14.710 1.00 0.00 WT1 H ATOM 11212 OH2 TIP3 2932 -1.236 -1.962 2.798 1.00 0.00 WT1 O ATOM 11213 H1 TIP3 2932 9.361 -8.629 -3.395 1.00 0.00 WT1 H ATOM 11214 H2 TIP3 2932 -1.632 -8.808 15.583 1.00 0.00 WT1 H ATOM 11215 OH2 TIP3 2936 8.721 -0.220 -6.750 1.00 0.00 WT1 O ATOM 11216 H1 TIP3 2936 10.470 0.347 -6.040 1.00 0.00 WT1 H ATOM 11217 H2 TIP3 2936 13.911 9.426 -8.291 1.00 0.00 WT1 H ATOM 11218 OH2 TIP3 2937 6.775 -0.603 10.119 1.00 0.00 WT1 O ATOM 11219 H1 TIP3 2937 -2.448 9.440 -6.639 1.00 0.00 WT1 H ATOM 11220 H2 TIP3 2937 -2.307 1.541 6.962 1.00 0.00 WT1 H ATOM 11221 OH2 TIP3 2938 -2.711 -3.028 -7.351 1.00 0.00 WT1 O ATOM 11222 H1 TIP3 2938 -6.208 -1.362 -0.761 1.00 0.00 WT1 H ATOM 11223 H2 TIP3 2938 -4.078 3.208 2.224 1.00 0.00 WT1 H ATOM 11224 OH2 TIP3 2939 0.733 3.531 2.970 1.00 0.00 WT1 O ATOM 11225 H1 TIP3 2939 -19.238 9.263 -3.349 1.00 0.00 WT1 H ATOM 11226 H2 TIP3 2939 -1.262 3.155 -10.911 1.00 0.00 WT1 H ATOM 11227 OH2 TIP3 2941 -0.264 1.743 2.572 1.00 0.00 WT1 O ATOM 11228 H1 TIP3 2941 -15.840 -17.285 6.196 1.00 0.00 WT1 H ATOM 11229 H2 TIP3 2941 -3.934 6.403 -15.728 1.00 0.00 WT1 H ATOM 11230 OH2 TIP3 2943 -6.184 4.409 -2.096 1.00 0.00 WT1 O ATOM 11231 H1 TIP3 2943 -0.312 -4.436 -2.822 1.00 0.00 WT1 H ATOM 11232 H2 TIP3 2943 6.108 -17.607 5.171 1.00 0.00 WT1 H ATOM 11233 OH2 TIP3 2944 0.155 -2.373 1.843 1.00 0.00 WT1 O ATOM 11234 H1 TIP3 2944 -0.984 31.479 -10.923 1.00 0.00 WT1 H ATOM 11235 H2 TIP3 2944 14.737 -14.261 16.442 1.00 0.00 WT1 H ATOM 11236 OH2 TIP3 2945 -1.984 5.362 5.115 1.00 0.00 WT1 O ATOM 11237 H1 TIP3 2945 0.157 2.977 9.879 1.00 0.00 WT1 H ATOM 11238 H2 TIP3 2945 9.971 1.396 20.863 1.00 0.00 WT1 H ATOM 11239 OH2 TIP3 2946 4.704 3.708 2.227 1.00 0.00 WT1 O ATOM 11240 H1 TIP3 2946 8.719 -8.847 -6.092 1.00 0.00 WT1 H ATOM 11241 H2 TIP3 2946 3.659 -1.991 -16.444 1.00 0.00 WT1 H ATOM 11242 OH2 TIP3 2947 -5.666 -7.012 -4.528 1.00 0.00 WT1 O ATOM 11243 H1 TIP3 2947 10.405 -6.636 11.971 1.00 0.00 WT1 H ATOM 11244 H2 TIP3 2947 -0.604 8.953 -19.905 1.00 0.00 WT1 H ATOM 11245 OH2 TIP3 2950 -0.806 -2.628 -4.133 1.00 0.00 WT1 O ATOM 11246 H1 TIP3 2950 -9.764 -10.262 -7.318 1.00 0.00 WT1 H ATOM 11247 H2 TIP3 2950 8.135 12.770 -6.010 1.00 0.00 WT1 H ATOM 11248 OH2 TIP3 2951 -0.115 -4.291 -0.191 1.00 0.00 WT1 O ATOM 11249 H1 TIP3 2951 -15.969 -9.948 -9.098 1.00 0.00 WT1 H ATOM 11250 H2 TIP3 2951 12.457 -4.504 19.283 1.00 0.00 WT1 H ATOM 11251 OH2 TIP3 2952 -0.933 -2.818 3.364 1.00 0.00 WT1 O ATOM 11252 H1 TIP3 2952 -3.653 0.909 3.351 1.00 0.00 WT1 H ATOM 11253 H2 TIP3 2952 -7.341 -5.856 -2.249 1.00 0.00 WT1 H ATOM 11254 OH2 TIP3 2956 2.725 -4.902 -6.017 1.00 0.00 WT1 O ATOM 11255 H1 TIP3 2956 -3.022 -6.873 3.208 1.00 0.00 WT1 H ATOM 11256 H2 TIP3 2956 7.951 -0.270 0.230 1.00 0.00 WT1 H ATOM 11257 OH2 TIP3 2957 5.907 1.841 4.203 1.00 0.00 WT1 O ATOM 11258 H1 TIP3 2957 1.356 3.401 13.923 1.00 0.00 WT1 H ATOM 11259 H2 TIP3 2957 11.317 -0.191 -7.533 1.00 0.00 WT1 H ATOM 11260 OH2 TIP3 2959 -6.682 -1.161 2.857 1.00 0.00 WT1 O ATOM 11261 H1 TIP3 2959 2.707 -12.465 -1.545 1.00 0.00 WT1 H ATOM 11262 H2 TIP3 2959 -20.607 20.662 7.933 1.00 0.00 WT1 H ATOM 11263 OH2 TIP3 2960 -4.198 0.340 -1.755 1.00 0.00 WT1 O ATOM 11264 H1 TIP3 2960 0.062 6.312 -25.355 1.00 0.00 WT1 H ATOM 11265 H2 TIP3 2960 -19.829 -22.744 -2.113 1.00 0.00 WT1 H ATOM 11266 OH2 TIP3 2961 5.891 -2.644 5.441 1.00 0.00 WT1 O ATOM 11267 H1 TIP3 2961 12.709 7.916 11.660 1.00 0.00 WT1 H ATOM 11268 H2 TIP3 2961 -13.374 -21.805 -9.207 1.00 0.00 WT1 H ATOM 11269 OH2 TIP3 2962 -2.856 4.899 -3.496 1.00 0.00 WT1 O ATOM 11270 H1 TIP3 2962 4.800 2.827 -2.033 1.00 0.00 WT1 H ATOM 11271 H2 TIP3 2962 -1.693 8.694 -5.730 1.00 0.00 WT1 H ATOM 11272 OH2 TIP3 2963 -1.413 0.571 0.401 1.00 0.00 WT1 O ATOM 11273 H1 TIP3 2963 -4.311 -15.317 1.854 1.00 0.00 WT1 H ATOM 11274 H2 TIP3 2963 -3.998 -14.103 2.262 1.00 0.00 WT1 H ATOM 11275 OH2 TIP3 2964 -6.358 1.047 0.035 1.00 0.00 WT1 O ATOM 11276 H1 TIP3 2964 -14.228 22.434 -6.641 1.00 0.00 WT1 H ATOM 11277 H2 TIP3 2964 -0.855 -9.602 7.791 1.00 0.00 WT1 H ATOM 11278 OH2 TIP3 2965 -5.561 5.660 -1.054 1.00 0.00 WT1 O ATOM 11279 H1 TIP3 2965 -3.104 -11.739 -13.503 1.00 0.00 WT1 H ATOM 11280 H2 TIP3 2965 -8.879 -3.449 17.600 1.00 0.00 WT1 H ATOM 11281 OH2 TIP3 2966 0.950 2.763 0.167 1.00 0.00 WT1 O ATOM 11282 H1 TIP3 2966 -6.830 -6.341 -7.350 1.00 0.00 WT1 H ATOM 11283 H2 TIP3 2966 -9.109 7.324 13.711 1.00 0.00 WT1 H ATOM 11284 OH2 TIP3 2967 -1.529 3.506 3.481 1.00 0.00 WT1 O ATOM 11285 H1 TIP3 2967 -14.002 -0.301 5.482 1.00 0.00 WT1 H ATOM 11286 H2 TIP3 2967 -0.869 3.880 -2.086 1.00 0.00 WT1 H ATOM 11287 OH2 TIP3 2968 1.239 1.404 1.747 1.00 0.00 WT1 O ATOM 11288 H1 TIP3 2968 -4.499 -0.606 -4.014 1.00 0.00 WT1 H ATOM 11289 H2 TIP3 2968 17.399 -5.815 7.760 1.00 0.00 WT1 H ATOM 11290 OH2 TIP3 2969 -1.856 -2.722 7.554 1.00 0.00 WT1 O ATOM 11291 H1 TIP3 2969 5.235 -9.734 16.569 1.00 0.00 WT1 H ATOM 11292 H2 TIP3 2969 -1.812 -2.036 0.114 1.00 0.00 WT1 H ATOM 11293 OH2 TIP3 2971 -1.645 -5.685 3.424 1.00 0.00 WT1 O ATOM 11294 H1 TIP3 2971 -6.713 -2.363 -14.569 1.00 0.00 WT1 H ATOM 11295 H2 TIP3 2971 -23.513 -12.786 0.246 1.00 0.00 WT1 H ATOM 11296 OH2 TIP3 2972 3.859 -8.443 -4.636 1.00 0.00 WT1 O ATOM 11297 H1 TIP3 2972 3.662 7.077 1.925 1.00 0.00 WT1 H ATOM 11298 H2 TIP3 2972 11.627 -18.710 8.851 1.00 0.00 WT1 H ATOM 11299 OH2 TIP3 2978 -4.110 -3.329 -4.280 1.00 0.00 WT1 O ATOM 11300 H1 TIP3 2978 -26.486 -9.811 -21.884 1.00 0.00 WT1 H ATOM 11301 H2 TIP3 2978 -6.797 5.969 14.626 1.00 0.00 WT1 H ATOM 11302 OH2 TIP3 2979 -2.019 4.663 -5.205 1.00 0.00 WT1 O ATOM 11303 H1 TIP3 2979 9.671 5.312 -8.592 1.00 0.00 WT1 H ATOM 11304 H2 TIP3 2979 8.522 8.649 -2.029 1.00 0.00 WT1 H ATOM 11305 OH2 TIP3 2981 -5.690 5.124 4.229 1.00 0.00 WT1 O ATOM 11306 H1 TIP3 2981 2.598 2.664 17.229 1.00 0.00 WT1 H ATOM 11307 H2 TIP3 2981 -3.173 -5.220 4.272 1.00 0.00 WT1 H ATOM 11308 OH2 TIP3 2982 2.537 -1.655 2.386 1.00 0.00 WT1 O ATOM 11309 H1 TIP3 2982 1.936 -12.942 6.836 1.00 0.00 WT1 H ATOM 11310 H2 TIP3 2982 11.326 -2.349 7.557 1.00 0.00 WT1 H ATOM 11311 OH2 TIP3 2983 1.627 -2.791 -0.825 1.00 0.00 WT1 O ATOM 11312 H1 TIP3 2983 14.295 -11.574 21.135 1.00 0.00 WT1 H ATOM 11313 H2 TIP3 2983 -5.111 15.608 1.360 1.00 0.00 WT1 H ATOM 11314 OH2 TIP3 2984 -2.056 2.700 -4.080 1.00 0.00 WT1 O ATOM 11315 H1 TIP3 2984 0.262 25.657 -7.080 1.00 0.00 WT1 H ATOM 11316 H2 TIP3 2984 8.241 -6.557 -20.946 1.00 0.00 WT1 H ATOM 11317 OH2 TIP3 2985 -6.358 -6.337 -3.507 1.00 0.00 WT1 O ATOM 11318 H1 TIP3 2985 -0.546 -25.368 -14.558 1.00 0.00 WT1 H ATOM 11319 H2 TIP3 2985 11.048 -9.138 -16.424 1.00 0.00 WT1 H ATOM 11320 OH2 TIP3 2986 -0.799 -0.105 -8.772 1.00 0.00 WT1 O ATOM 11321 H1 TIP3 2986 0.032 -7.128 11.637 1.00 0.00 WT1 H ATOM 11322 H2 TIP3 2986 -0.064 -12.912 17.343 1.00 0.00 WT1 H ATOM 11323 OH2 TIP3 2987 4.648 4.857 6.212 1.00 0.00 WT1 O ATOM 11324 H1 TIP3 2987 5.651 5.274 7.744 1.00 0.00 WT1 H ATOM 11325 H2 TIP3 2987 -3.929 -11.034 -5.742 1.00 0.00 WT1 H ATOM 11326 OH2 TIP3 2988 -0.979 -1.749 -2.773 1.00 0.00 WT1 O ATOM 11327 H1 TIP3 2988 3.013 1.163 18.755 1.00 0.00 WT1 H ATOM 11328 H2 TIP3 2988 10.544 -2.880 4.344 1.00 0.00 WT1 H ATOM 11329 OH2 TIP3 2989 1.382 6.754 2.526 1.00 0.00 WT1 O ATOM 11330 H1 TIP3 2989 -22.917 8.643 3.455 1.00 0.00 WT1 H ATOM 11331 H2 TIP3 2989 -1.548 -16.533 -9.126 1.00 0.00 WT1 H ATOM 11332 OH2 TIP3 2990 -3.339 -8.319 3.082 1.00 0.00 WT1 O ATOM 11333 H1 TIP3 2990 30.745 1.325 -7.513 1.00 0.00 WT1 H ATOM 11334 H2 TIP3 2990 -25.730 -15.779 10.783 1.00 0.00 WT1 H ATOM 11335 OH2 TIP3 2991 5.775 1.693 -1.388 1.00 0.00 WT1 O ATOM 11336 H1 TIP3 2991 7.944 1.038 -2.791 1.00 0.00 WT1 H ATOM 11337 H2 TIP3 2991 5.437 2.333 0.977 1.00 0.00 WT1 H ATOM 11338 OH2 TIP3 2992 -0.874 0.008 1.766 1.00 0.00 WT1 O ATOM 11339 H1 TIP3 2992 3.955 -10.560 3.515 1.00 0.00 WT1 H ATOM 11340 H2 TIP3 2992 -17.710 3.253 15.983 1.00 0.00 WT1 H ATOM 11341 OH2 TIP3 2993 1.049 -9.657 5.351 1.00 0.00 WT1 O ATOM 11342 H1 TIP3 2993 5.184 -16.922 -15.105 1.00 0.00 WT1 H ATOM 11343 H2 TIP3 2993 -14.587 -8.699 -15.467 1.00 0.00 WT1 H ATOM 11344 OH2 TIP3 2998 -0.514 -3.134 -6.658 1.00 0.00 WT1 O ATOM 11345 H1 TIP3 2998 -22.930 -15.124 -7.008 1.00 0.00 WT1 H ATOM 11346 H2 TIP3 2998 1.894 4.296 -1.055 1.00 0.00 WT1 H ATOM 11347 OH2 TIP3 3000 0.373 2.068 2.914 1.00 0.00 WT1 O ATOM 11348 H1 TIP3 3000 9.381 2.661 8.482 1.00 0.00 WT1 H ATOM 11349 H2 TIP3 3000 -8.611 -2.223 -7.622 1.00 0.00 WT1 H ATOM 11350 OH2 TIP3 3001 -0.358 -5.859 3.371 1.00 0.00 WT1 O ATOM 11351 H1 TIP3 3001 -5.864 -2.503 -5.546 1.00 0.00 WT1 H ATOM 11352 H2 TIP3 3001 0.559 -19.238 3.543 1.00 0.00 WT1 H ATOM 11353 OH2 TIP3 3002 -4.116 -6.560 2.509 1.00 0.00 WT1 O ATOM 11354 H1 TIP3 3002 -1.217 -8.529 -11.011 1.00 0.00 WT1 H ATOM 11355 H2 TIP3 3002 -20.240 16.025 -0.049 1.00 0.00 WT1 H ATOM 11356 OH2 TIP3 3003 -3.711 1.124 0.759 1.00 0.00 WT1 O ATOM 11357 H1 TIP3 3003 16.808 -4.120 1.460 1.00 0.00 WT1 H ATOM 11358 H2 TIP3 3003 -12.322 -12.289 7.202 1.00 0.00 WT1 H ATOM 11359 OH2 TIP3 3004 -5.759 7.159 3.014 1.00 0.00 WT1 O ATOM 11360 H1 TIP3 3004 -7.402 -2.842 -2.887 1.00 0.00 WT1 H ATOM 11361 H2 TIP3 3004 -5.485 7.628 3.281 1.00 0.00 WT1 H ATOM 11362 OH2 TIP3 3005 0.059 0.061 -3.769 1.00 0.00 WT1 O ATOM 11363 H1 TIP3 3005 -2.382 -2.897 -5.192 1.00 0.00 WT1 H ATOM 11364 H2 TIP3 3005 1.190 5.625 -2.253 1.00 0.00 WT1 H ATOM 11365 OH2 TIP3 3006 -0.319 -4.917 -4.177 1.00 0.00 WT1 O ATOM 11366 H1 TIP3 3006 -17.389 -10.423 -7.569 1.00 0.00 WT1 H ATOM 11367 H2 TIP3 3006 -1.009 -12.813 -17.513 1.00 0.00 WT1 H ATOM 11368 OH2 TIP3 3007 3.652 6.627 4.109 1.00 0.00 WT1 O ATOM 11369 H1 TIP3 3007 11.091 2.634 0.861 1.00 0.00 WT1 H ATOM 11370 H2 TIP3 3007 -3.398 0.983 4.089 1.00 0.00 WT1 H ATOM 11371 OH2 TIP3 3008 -3.833 0.155 1.844 1.00 0.00 WT1 O ATOM 11372 H1 TIP3 3008 -3.618 -7.446 1.654 1.00 0.00 WT1 H ATOM 11373 H2 TIP3 3008 16.540 6.987 2.336 1.00 0.00 WT1 H ATOM 11374 OH2 TIP3 3009 -4.397 9.829 -3.210 1.00 0.00 WT1 O ATOM 11375 H1 TIP3 3009 0.049 25.790 -5.736 1.00 0.00 WT1 H ATOM 11376 H2 TIP3 3009 -2.066 8.265 18.766 1.00 0.00 WT1 H ATOM 11377 OH2 TIP3 3010 1.856 5.970 0.540 1.00 0.00 WT1 O ATOM 11378 H1 TIP3 3010 17.434 34.382 -14.864 1.00 0.00 WT1 H ATOM 11379 H2 TIP3 3010 -7.579 14.109 5.371 1.00 0.00 WT1 H ATOM 11380 OH2 TIP3 3011 2.905 5.997 -1.596 1.00 0.00 WT1 O ATOM 11381 H1 TIP3 3011 -3.064 -13.766 9.406 1.00 0.00 WT1 H ATOM 11382 H2 TIP3 3011 9.196 20.862 14.013 1.00 0.00 WT1 H ATOM 11383 OH2 TIP3 3012 0.332 -5.833 5.649 1.00 0.00 WT1 O ATOM 11384 H1 TIP3 3012 -5.544 14.414 4.765 1.00 0.00 WT1 H ATOM 11385 H2 TIP3 3012 -3.893 -11.046 26.364 1.00 0.00 WT1 H ATOM 11386 OH2 TIP3 3013 -8.815 8.234 1.732 1.00 0.00 WT1 O ATOM 11387 H1 TIP3 3013 -8.388 -21.775 2.812 1.00 0.00 WT1 H ATOM 11388 H2 TIP3 3013 -4.486 -24.063 -21.674 1.00 0.00 WT1 H ATOM 11389 OH2 TIP3 3014 1.690 3.218 -3.000 1.00 0.00 WT1 O ATOM 11390 H1 TIP3 3014 22.370 -4.349 -9.827 1.00 0.00 WT1 H ATOM 11391 H2 TIP3 3014 -11.593 -13.636 17.230 1.00 0.00 WT1 H ATOM 11392 OH2 TIP3 3015 -6.443 1.055 2.114 1.00 0.00 WT1 O ATOM 11393 H1 TIP3 3015 -5.183 -4.474 -3.503 1.00 0.00 WT1 H ATOM 11394 H2 TIP3 3015 -11.758 -2.902 6.719 1.00 0.00 WT1 H ATOM 11395 OH2 TIP3 3016 0.579 1.207 3.402 1.00 0.00 WT1 O ATOM 11396 H1 TIP3 3016 -3.883 -5.905 -8.730 1.00 0.00 WT1 H ATOM 11397 H2 TIP3 3016 7.243 4.887 13.967 1.00 0.00 WT1 H ATOM 11398 OH2 TIP3 3018 6.815 -2.520 2.870 1.00 0.00 WT1 O ATOM 11399 H1 TIP3 3018 -9.443 2.880 14.254 1.00 0.00 WT1 H ATOM 11400 H2 TIP3 3018 11.358 4.456 -5.567 1.00 0.00 WT1 H ATOM 11401 OH2 TIP3 3019 -0.562 1.634 2.952 1.00 0.00 WT1 O ATOM 11402 H1 TIP3 3019 -26.189 14.149 -6.045 1.00 0.00 WT1 H ATOM 11403 H2 TIP3 3019 -12.006 7.035 -3.226 1.00 0.00 WT1 H ATOM 11404 OH2 TIP3 3021 3.352 -0.615 0.821 1.00 0.00 WT1 O ATOM 11405 H1 TIP3 3021 3.918 9.365 -3.222 1.00 0.00 WT1 H ATOM 11406 H2 TIP3 3021 24.595 8.081 5.720 1.00 0.00 WT1 H ATOM 11407 OH2 TIP3 3023 -0.151 -4.825 0.716 1.00 0.00 WT1 O ATOM 11408 H1 TIP3 3023 -16.001 6.685 -6.573 1.00 0.00 WT1 H ATOM 11409 H2 TIP3 3023 11.921 0.814 13.076 1.00 0.00 WT1 H ATOM 11410 OH2 TIP3 3024 3.409 2.441 -7.723 1.00 0.00 WT1 O ATOM 11411 H1 TIP3 3024 -8.240 18.445 7.797 1.00 0.00 WT1 H ATOM 11412 H2 TIP3 3024 6.704 12.288 -26.432 1.00 0.00 WT1 H ATOM 11413 OH2 TIP3 3025 -0.396 0.040 -0.914 1.00 0.00 WT1 O ATOM 11414 H1 TIP3 3025 5.850 25.653 1.295 1.00 0.00 WT1 H ATOM 11415 H2 TIP3 3025 16.304 4.929 13.729 1.00 0.00 WT1 H ATOM 11416 OH2 TIP3 3027 2.563 0.456 -1.321 1.00 0.00 WT1 O ATOM 11417 H1 TIP3 3027 22.005 -19.935 -3.967 1.00 0.00 WT1 H ATOM 11418 H2 TIP3 3027 16.414 -4.035 -2.885 1.00 0.00 WT1 H ATOM 11419 OH2 TIP3 3028 -3.140 1.192 3.957 1.00 0.00 WT1 O ATOM 11420 H1 TIP3 3028 11.869 -20.586 -9.149 1.00 0.00 WT1 H ATOM 11421 H2 TIP3 3028 7.144 -7.209 19.581 1.00 0.00 WT1 H ATOM 11422 OH2 TIP3 3029 -9.514 0.427 5.127 1.00 0.00 WT1 O ATOM 11423 H1 TIP3 3029 3.885 -3.603 14.878 1.00 0.00 WT1 H ATOM 11424 H2 TIP3 3029 -14.962 5.012 -2.150 1.00 0.00 WT1 H ATOM 11425 OH2 TIP3 3030 -0.099 2.016 4.009 1.00 0.00 WT1 O ATOM 11426 H1 TIP3 3030 7.934 -0.229 0.638 1.00 0.00 WT1 H ATOM 11427 H2 TIP3 3030 18.971 22.735 -12.693 1.00 0.00 WT1 H ATOM 11428 OH2 TIP3 3032 7.660 2.437 2.129 1.00 0.00 WT1 O ATOM 11429 H1 TIP3 3032 5.864 -7.064 2.290 1.00 0.00 WT1 H ATOM 11430 H2 TIP3 3032 4.078 -7.059 0.227 1.00 0.00 WT1 H ATOM 11431 OH2 TIP3 3033 -4.041 2.458 -1.668 1.00 0.00 WT1 O ATOM 11432 H1 TIP3 3033 -1.629 -6.418 14.583 1.00 0.00 WT1 H ATOM 11433 H2 TIP3 3033 -4.804 2.082 -6.010 1.00 0.00 WT1 H ATOM 11434 OH2 TIP3 3035 -1.641 1.070 7.028 1.00 0.00 WT1 O ATOM 11435 H1 TIP3 3035 -16.068 5.795 1.066 1.00 0.00 WT1 H ATOM 11436 H2 TIP3 3035 -25.626 -1.585 -2.554 1.00 0.00 WT1 H ATOM 11437 OH2 TIP3 3037 -1.059 -2.546 -3.077 1.00 0.00 WT1 O ATOM 11438 H1 TIP3 3037 0.758 -10.809 -4.578 1.00 0.00 WT1 H ATOM 11439 H2 TIP3 3037 7.152 12.638 -4.109 1.00 0.00 WT1 H ATOM 11440 OH2 TIP3 3038 0.959 0.619 -7.668 1.00 0.00 WT1 O ATOM 11441 H1 TIP3 3038 -3.162 -8.684 -6.969 1.00 0.00 WT1 H ATOM 11442 H2 TIP3 3038 4.225 6.548 -0.849 1.00 0.00 WT1 H ATOM 11443 OH2 TIP3 3039 4.233 -0.175 -4.892 1.00 0.00 WT1 O ATOM 11444 H1 TIP3 3039 -8.418 -17.525 16.020 1.00 0.00 WT1 H ATOM 11445 H2 TIP3 3039 -9.102 -6.576 18.384 1.00 0.00 WT1 H ATOM 11446 OH2 TIP3 3040 -4.026 5.832 -0.562 1.00 0.00 WT1 O ATOM 11447 H1 TIP3 3040 -6.620 3.418 -0.216 1.00 0.00 WT1 H ATOM 11448 H2 TIP3 3040 -29.097 -9.262 3.644 1.00 0.00 WT1 H ATOM 11449 OH2 TIP3 3041 -0.919 -7.394 -4.872 1.00 0.00 WT1 O ATOM 11450 H1 TIP3 3041 -1.442 -1.877 13.805 1.00 0.00 WT1 H ATOM 11451 H2 TIP3 3041 -20.076 10.031 3.985 1.00 0.00 WT1 H ATOM 11452 OH2 TIP3 3042 1.692 3.093 -0.505 1.00 0.00 WT1 O ATOM 11453 H1 TIP3 3042 2.837 -8.139 6.180 1.00 0.00 WT1 H ATOM 11454 H2 TIP3 3042 25.365 18.904 10.270 1.00 0.00 WT1 H ATOM 11455 OH2 TIP3 3043 2.067 3.675 -4.662 1.00 0.00 WT1 O ATOM 11456 H1 TIP3 3043 -1.037 4.587 -5.706 1.00 0.00 WT1 H ATOM 11457 H2 TIP3 3043 -22.453 10.633 11.846 1.00 0.00 WT1 H ATOM 11458 OH2 TIP3 3044 2.590 3.730 2.946 1.00 0.00 WT1 O ATOM 11459 H1 TIP3 3044 -7.174 -1.104 3.990 1.00 0.00 WT1 H ATOM 11460 H2 TIP3 3044 -11.209 -9.859 6.036 1.00 0.00 WT1 H ATOM 11461 OH2 TIP3 3045 -1.553 -8.503 -2.591 1.00 0.00 WT1 O ATOM 11462 H1 TIP3 3045 2.526 9.336 -1.441 1.00 0.00 WT1 H ATOM 11463 H2 TIP3 3045 -15.998 1.997 22.930 1.00 0.00 WT1 H ATOM 11464 OH2 TIP3 3046 -4.034 -3.384 -1.704 1.00 0.00 WT1 O ATOM 11465 H1 TIP3 3046 0.476 5.492 -0.542 1.00 0.00 WT1 H ATOM 11466 H2 TIP3 3046 -25.911 13.794 0.573 1.00 0.00 WT1 H ATOM 11467 OH2 TIP3 3047 4.808 2.986 2.537 1.00 0.00 WT1 O ATOM 11468 H1 TIP3 3047 -0.710 -11.318 -11.430 1.00 0.00 WT1 H ATOM 11469 H2 TIP3 3047 7.667 -5.543 9.485 1.00 0.00 WT1 H ATOM 11470 OH2 TIP3 3048 0.559 2.607 5.302 1.00 0.00 WT1 O ATOM 11471 H1 TIP3 3048 1.665 23.230 5.065 1.00 0.00 WT1 H ATOM 11472 H2 TIP3 3048 1.491 -1.084 5.646 1.00 0.00 WT1 H ATOM 11473 OH2 TIP3 3049 10.076 -3.498 -1.297 1.00 0.00 WT1 O ATOM 11474 H1 TIP3 3049 10.789 7.882 -43.715 1.00 0.00 WT1 H ATOM 11475 H2 TIP3 3049 15.888 -3.884 -8.270 1.00 0.00 WT1 H ATOM 11476 OH2 TIP3 3050 4.547 3.937 5.321 1.00 0.00 WT1 O ATOM 11477 H1 TIP3 3050 11.998 -14.379 -8.627 1.00 0.00 WT1 H ATOM 11478 H2 TIP3 3050 21.135 -6.234 19.275 1.00 0.00 WT1 H ATOM 11479 OH2 TIP3 3051 -0.857 4.703 -9.673 1.00 0.00 WT1 O ATOM 11480 H1 TIP3 3051 -11.111 3.367 13.213 1.00 0.00 WT1 H ATOM 11481 H2 TIP3 3051 -3.077 8.251 -1.357 1.00 0.00 WT1 H ATOM 11482 OH2 TIP3 3052 2.346 -3.255 -4.113 1.00 0.00 WT1 O ATOM 11483 H1 TIP3 3052 1.316 13.060 1.493 1.00 0.00 WT1 H ATOM 11484 H2 TIP3 3052 -3.913 -9.709 8.663 1.00 0.00 WT1 H ATOM 11485 OH2 TIP3 3053 4.499 -0.834 -5.940 1.00 0.00 WT1 O ATOM 11486 H1 TIP3 3053 -17.387 2.173 -16.520 1.00 0.00 WT1 H ATOM 11487 H2 TIP3 3053 -6.433 12.174 -19.343 1.00 0.00 WT1 H ATOM 11488 OH2 TIP3 3054 -2.551 -3.971 9.768 1.00 0.00 WT1 O ATOM 11489 H1 TIP3 3054 -0.218 18.549 17.277 1.00 0.00 WT1 H ATOM 11490 H2 TIP3 3054 -5.184 -23.972 14.364 1.00 0.00 WT1 H ATOM 11491 OH2 TIP3 3056 4.028 5.172 -0.167 1.00 0.00 WT1 O ATOM 11492 H1 TIP3 3056 9.268 6.639 6.346 1.00 0.00 WT1 H ATOM 11493 H2 TIP3 3056 3.120 -9.384 -6.433 1.00 0.00 WT1 H ATOM 11494 OH2 TIP3 3057 4.836 0.268 0.342 1.00 0.00 WT1 O ATOM 11495 H1 TIP3 3057 20.788 -11.126 8.581 1.00 0.00 WT1 H ATOM 11496 H2 TIP3 3057 13.944 -7.656 2.618 1.00 0.00 WT1 H ATOM 11497 OH2 TIP3 3059 -4.291 7.203 1.685 1.00 0.00 WT1 O ATOM 11498 H1 TIP3 3059 -15.553 19.701 9.392 1.00 0.00 WT1 H ATOM 11499 H2 TIP3 3059 -18.622 19.813 12.972 1.00 0.00 WT1 H ATOM 11500 OH2 TIP3 3062 5.830 1.866 -5.844 1.00 0.00 WT1 O ATOM 11501 H1 TIP3 3062 -4.644 8.716 17.868 1.00 0.00 WT1 H ATOM 11502 H2 TIP3 3062 10.981 1.352 -0.139 1.00 0.00 WT1 H ATOM 11503 OH2 TIP3 3063 -2.032 2.529 0.904 1.00 0.00 WT1 O ATOM 11504 H1 TIP3 3063 -9.519 -1.275 -3.100 1.00 0.00 WT1 H ATOM 11505 H2 TIP3 3063 -15.132 1.210 -8.970 1.00 0.00 WT1 H ATOM 11506 OH2 TIP3 3065 -4.124 3.629 -6.416 1.00 0.00 WT1 O ATOM 11507 H1 TIP3 3065 -8.967 -1.975 -11.473 1.00 0.00 WT1 H ATOM 11508 H2 TIP3 3065 -3.464 9.944 -2.945 1.00 0.00 WT1 H ATOM 11509 OH2 TIP3 3066 -0.684 4.638 -4.929 1.00 0.00 WT1 O ATOM 11510 H1 TIP3 3066 -6.946 12.938 -3.226 1.00 0.00 WT1 H ATOM 11511 H2 TIP3 3066 28.835 18.413 -4.907 1.00 0.00 WT1 H ATOM 11512 OH2 TIP3 3067 9.425 -5.028 -0.556 1.00 0.00 WT1 O ATOM 11513 H1 TIP3 3067 -1.071 8.157 -11.363 1.00 0.00 WT1 H ATOM 11514 H2 TIP3 3067 -1.984 -5.231 14.431 1.00 0.00 WT1 H ATOM 11515 OH2 TIP3 3069 1.346 -0.328 -5.060 1.00 0.00 WT1 O ATOM 11516 H1 TIP3 3069 -4.813 0.033 -15.914 1.00 0.00 WT1 H ATOM 11517 H2 TIP3 3069 8.889 3.467 0.732 1.00 0.00 WT1 H ATOM 11518 OH2 TIP3 3070 -4.227 0.175 -8.358 1.00 0.00 WT1 O ATOM 11519 H1 TIP3 3070 -6.336 -3.654 7.872 1.00 0.00 WT1 H ATOM 11520 H2 TIP3 3070 -8.169 15.274 -8.874 1.00 0.00 WT1 H ATOM 11521 OH2 TIP3 3071 2.017 -2.640 4.447 1.00 0.00 WT1 O ATOM 11522 H1 TIP3 3071 3.086 -1.467 9.258 1.00 0.00 WT1 H ATOM 11523 H2 TIP3 3071 -3.310 -2.167 6.966 1.00 0.00 WT1 H ATOM 11524 OH2 TIP3 3072 0.954 -2.084 3.164 1.00 0.00 WT1 O ATOM 11525 H1 TIP3 3072 -11.437 -15.765 -1.358 1.00 0.00 WT1 H ATOM 11526 H2 TIP3 3072 10.678 10.308 11.174 1.00 0.00 WT1 H ATOM 11527 OH2 TIP3 3073 -3.424 2.040 3.563 1.00 0.00 WT1 O ATOM 11528 H1 TIP3 3073 13.185 -3.172 13.791 1.00 0.00 WT1 H ATOM 11529 H2 TIP3 3073 -11.212 6.487 10.552 1.00 0.00 WT1 H ATOM 11530 OH2 TIP3 3074 1.425 -5.398 -0.665 1.00 0.00 WT1 O ATOM 11531 H1 TIP3 3074 -9.505 -2.689 -5.560 1.00 0.00 WT1 H ATOM 11532 H2 TIP3 3074 9.927 0.520 -8.992 1.00 0.00 WT1 H ATOM 11533 OH2 TIP3 3075 0.998 0.074 -4.024 1.00 0.00 WT1 O ATOM 11534 H1 TIP3 3075 -3.484 10.215 1.409 1.00 0.00 WT1 H ATOM 11535 H2 TIP3 3075 -19.623 -5.116 -2.348 1.00 0.00 WT1 H ATOM 11536 OH2 TIP3 3077 0.826 4.474 -1.217 1.00 0.00 WT1 O ATOM 11537 H1 TIP3 3077 16.893 -12.620 2.752 1.00 0.00 WT1 H ATOM 11538 H2 TIP3 3077 -0.737 1.248 -5.996 1.00 0.00 WT1 H ATOM 11539 OH2 TIP3 3079 4.365 -3.560 5.497 1.00 0.00 WT1 O ATOM 11540 H1 TIP3 3079 21.964 12.829 -1.333 1.00 0.00 WT1 H ATOM 11541 H2 TIP3 3079 -7.441 -6.660 -27.639 1.00 0.00 WT1 H ATOM 11542 OH2 TIP3 3080 3.633 -0.180 -4.039 1.00 0.00 WT1 O ATOM 11543 H1 TIP3 3080 6.430 -15.117 -18.411 1.00 0.00 WT1 H ATOM 11544 H2 TIP3 3080 -8.234 21.792 23.885 1.00 0.00 WT1 H ATOM 11545 OH2 TIP3 3081 0.291 3.685 -4.285 1.00 0.00 WT1 O ATOM 11546 H1 TIP3 3081 -0.746 3.259 0.917 1.00 0.00 WT1 H ATOM 11547 H2 TIP3 3081 -10.703 -0.710 -6.379 1.00 0.00 WT1 H ATOM 11548 OH2 TIP3 3082 -2.307 2.705 -4.740 1.00 0.00 WT1 O ATOM 11549 H1 TIP3 3082 -6.807 -16.552 -5.189 1.00 0.00 WT1 H ATOM 11550 H2 TIP3 3082 -19.360 -2.965 -10.578 1.00 0.00 WT1 H ATOM 11551 OH2 TIP3 3083 -1.828 -1.076 1.699 1.00 0.00 WT1 O ATOM 11552 H1 TIP3 3083 -13.901 9.281 -14.392 1.00 0.00 WT1 H ATOM 11553 H2 TIP3 3083 2.849 -1.824 -5.586 1.00 0.00 WT1 H ATOM 11554 OH2 TIP3 3084 8.114 -2.805 0.983 1.00 0.00 WT1 O ATOM 11555 H1 TIP3 3084 7.951 6.382 2.087 1.00 0.00 WT1 H ATOM 11556 H2 TIP3 3084 11.738 36.628 9.149 1.00 0.00 WT1 H ATOM 11557 OH2 TIP3 3085 3.653 3.896 -5.975 1.00 0.00 WT1 O ATOM 11558 H1 TIP3 3085 -12.231 -3.296 12.867 1.00 0.00 WT1 H ATOM 11559 H2 TIP3 3085 -3.926 13.064 16.562 1.00 0.00 WT1 H ATOM 11560 OH2 TIP3 3086 0.433 1.558 2.504 1.00 0.00 WT1 O ATOM 11561 H1 TIP3 3086 6.286 14.329 -25.823 1.00 0.00 WT1 H ATOM 11562 H2 TIP3 3086 -8.143 -7.729 -24.084 1.00 0.00 WT1 H ATOM 11563 OH2 TIP3 3087 7.666 -1.825 4.781 1.00 0.00 WT1 O ATOM 11564 H1 TIP3 3087 17.909 -9.104 2.548 1.00 0.00 WT1 H ATOM 11565 H2 TIP3 3087 -14.005 10.247 5.266 1.00 0.00 WT1 H ATOM 11566 OH2 TIP3 3088 -0.745 2.171 9.628 1.00 0.00 WT1 O ATOM 11567 H1 TIP3 3088 -11.536 -7.822 -24.592 1.00 0.00 WT1 H ATOM 11568 H2 TIP3 3088 -0.661 -14.073 23.489 1.00 0.00 WT1 H ATOM 11569 OH2 TIP3 3089 -0.981 6.740 2.516 1.00 0.00 WT1 O ATOM 11570 H1 TIP3 3089 -5.175 -5.741 10.552 1.00 0.00 WT1 H ATOM 11571 H2 TIP3 3089 13.575 1.443 28.779 1.00 0.00 WT1 H ATOM 11572 OH2 TIP3 3090 2.008 1.353 1.378 1.00 0.00 WT1 O ATOM 11573 H1 TIP3 3090 15.142 17.979 3.075 1.00 0.00 WT1 H ATOM 11574 H2 TIP3 3090 11.579 -0.554 5.686 1.00 0.00 WT1 H ATOM 11575 OH2 TIP3 3091 -2.244 -3.229 -2.215 1.00 0.00 WT1 O ATOM 11576 H1 TIP3 3091 1.406 -8.377 -5.106 1.00 0.00 WT1 H ATOM 11577 H2 TIP3 3091 -5.074 7.977 10.693 1.00 0.00 WT1 H ATOM 11578 OH2 TIP3 3092 1.209 -6.766 -5.606 1.00 0.00 WT1 O ATOM 11579 H1 TIP3 3092 0.340 -1.734 -3.163 1.00 0.00 WT1 H ATOM 11580 H2 TIP3 3092 5.296 -8.572 -8.274 1.00 0.00 WT1 H ATOM 11581 OH2 TIP3 3093 -0.861 -4.143 6.704 1.00 0.00 WT1 O ATOM 11582 H1 TIP3 3093 -13.170 -1.414 5.567 1.00 0.00 WT1 H ATOM 11583 H2 TIP3 3093 17.504 -27.377 18.109 1.00 0.00 WT1 H ATOM 11584 OH2 TIP3 3094 1.396 3.450 -0.217 1.00 0.00 WT1 O ATOM 11585 H1 TIP3 3094 -7.763 8.222 -21.099 1.00 0.00 WT1 H ATOM 11586 H2 TIP3 3094 10.977 22.456 26.447 1.00 0.00 WT1 H ATOM 11587 OH2 TIP3 3095 -0.951 2.721 0.860 1.00 0.00 WT1 O ATOM 11588 H1 TIP3 3095 4.424 -7.154 9.153 1.00 0.00 WT1 H ATOM 11589 H2 TIP3 3095 0.961 -2.279 16.262 1.00 0.00 WT1 H ATOM 11590 OH2 TIP3 3096 -2.019 0.129 -2.988 1.00 0.00 WT1 O ATOM 11591 H1 TIP3 3096 7.606 0.382 -9.878 1.00 0.00 WT1 H ATOM 11592 H2 TIP3 3096 -3.367 2.113 3.721 1.00 0.00 WT1 H ATOM 11593 OH2 TIP3 3097 -2.210 1.868 -2.470 1.00 0.00 WT1 O ATOM 11594 H1 TIP3 3097 4.783 12.489 -6.665 1.00 0.00 WT1 H ATOM 11595 H2 TIP3 3097 -11.903 -14.695 -13.044 1.00 0.00 WT1 H ATOM 11596 OH2 TIP3 3098 -3.303 -5.627 2.692 1.00 0.00 WT1 O ATOM 11597 H1 TIP3 3098 -1.762 -2.978 13.275 1.00 0.00 WT1 H ATOM 11598 H2 TIP3 3098 0.346 2.042 -6.010 1.00 0.00 WT1 H ATOM 11599 OH2 TIP3 3100 -1.600 -2.523 -2.358 1.00 0.00 WT1 O ATOM 11600 H1 TIP3 3100 19.383 -42.782 -3.666 1.00 0.00 WT1 H ATOM 11601 H2 TIP3 3100 -18.119 23.772 6.506 1.00 0.00 WT1 H ATOM 11602 OH2 TIP3 3102 1.312 1.900 -0.475 1.00 0.00 WT1 O ATOM 11603 H1 TIP3 3102 -2.864 -5.758 -5.276 1.00 0.00 WT1 H ATOM 11604 H2 TIP3 3102 -2.340 2.297 8.424 1.00 0.00 WT1 H ATOM 11605 OH2 TIP3 3103 -1.927 -1.647 0.689 1.00 0.00 WT1 O ATOM 11606 H1 TIP3 3103 1.881 4.023 -14.319 1.00 0.00 WT1 H ATOM 11607 H2 TIP3 3103 -14.853 12.140 -0.714 1.00 0.00 WT1 H ATOM 11608 OH2 TIP3 3104 2.535 -2.010 -3.608 1.00 0.00 WT1 O ATOM 11609 H1 TIP3 3104 -16.462 -6.221 -15.229 1.00 0.00 WT1 H ATOM 11610 H2 TIP3 3104 7.855 -2.102 6.715 1.00 0.00 WT1 H ATOM 11611 OH2 TIP3 3105 5.128 -5.775 -1.206 1.00 0.00 WT1 O ATOM 11612 H1 TIP3 3105 7.495 4.992 4.418 1.00 0.00 WT1 H ATOM 11613 H2 TIP3 3105 6.762 31.662 -4.042 1.00 0.00 WT1 H ATOM 11614 OH2 TIP3 3106 14.148 5.642 -0.608 1.00 0.00 WT1 O ATOM 11615 H1 TIP3 3106 10.309 18.109 -0.256 1.00 0.00 WT1 H ATOM 11616 H2 TIP3 3106 0.328 11.902 27.125 1.00 0.00 WT1 H ATOM 11617 OH2 TIP3 3107 -0.356 4.183 -1.616 1.00 0.00 WT1 O ATOM 11618 H1 TIP3 3107 4.008 -1.306 -14.719 1.00 0.00 WT1 H ATOM 11619 H2 TIP3 3107 4.358 2.259 -1.742 1.00 0.00 WT1 H ATOM 11620 OH2 TIP3 3108 1.416 -0.032 -3.636 1.00 0.00 WT1 O ATOM 11621 H1 TIP3 3108 -1.465 17.379 -0.235 1.00 0.00 WT1 H ATOM 11622 H2 TIP3 3108 6.385 11.755 -4.032 1.00 0.00 WT1 H ATOM 11623 OH2 TIP3 3109 -3.122 8.442 -2.283 1.00 0.00 WT1 O ATOM 11624 H1 TIP3 3109 -24.433 18.710 -9.385 1.00 0.00 WT1 H ATOM 11625 H2 TIP3 3109 -12.691 12.554 -4.951 1.00 0.00 WT1 H ATOM 11626 OH2 TIP3 3110 -2.783 3.263 2.095 1.00 0.00 WT1 O ATOM 11627 H1 TIP3 3110 -12.919 -2.537 5.107 1.00 0.00 WT1 H ATOM 11628 H2 TIP3 3110 8.323 -2.708 -1.551 1.00 0.00 WT1 H ATOM 11629 OH2 TIP3 3111 -6.034 -3.633 8.088 1.00 0.00 WT1 O ATOM 11630 H1 TIP3 3111 2.859 -9.426 11.588 1.00 0.00 WT1 H ATOM 11631 H2 TIP3 3111 3.819 -10.934 12.997 1.00 0.00 WT1 H ATOM 11632 OH2 TIP3 3112 2.665 -2.833 1.380 1.00 0.00 WT1 O ATOM 11633 H1 TIP3 3112 11.798 -16.194 -17.834 1.00 0.00 WT1 H ATOM 11634 H2 TIP3 3112 -5.416 22.264 4.437 1.00 0.00 WT1 H ATOM 11635 OH2 TIP3 3113 -7.278 0.108 -3.494 1.00 0.00 WT1 O ATOM 11636 H1 TIP3 3113 -7.883 0.347 -2.722 1.00 0.00 WT1 H ATOM 11637 H2 TIP3 3113 -7.270 -3.854 -4.288 1.00 0.00 WT1 H ATOM 11638 OH2 TIP3 3114 -2.206 2.657 7.468 1.00 0.00 WT1 O ATOM 11639 H1 TIP3 3114 26.604 -8.640 14.611 1.00 0.00 WT1 H ATOM 11640 H2 TIP3 3114 -30.007 8.069 3.188 1.00 0.00 WT1 H ATOM 11641 OH2 TIP3 3115 -0.690 -1.383 -0.007 1.00 0.00 WT1 O ATOM 11642 H1 TIP3 3115 -3.340 9.890 0.599 1.00 0.00 WT1 H ATOM 11643 H2 TIP3 3115 -5.736 3.538 1.001 1.00 0.00 WT1 H ATOM 11644 OH2 TIP3 3116 2.233 -0.981 -7.880 1.00 0.00 WT1 O ATOM 11645 H1 TIP3 3116 16.458 27.646 -25.617 1.00 0.00 WT1 H ATOM 11646 H2 TIP3 3116 2.607 -10.448 -1.831 1.00 0.00 WT1 H ATOM 11647 OH2 TIP3 3118 1.636 -2.278 -5.972 1.00 0.00 WT1 O ATOM 11648 H1 TIP3 3118 1.487 -4.464 -4.231 1.00 0.00 WT1 H ATOM 11649 H2 TIP3 3118 -1.947 -0.234 -7.832 1.00 0.00 WT1 H ATOM 11650 OH2 TIP3 3119 2.752 2.420 5.045 1.00 0.00 WT1 O ATOM 11651 H1 TIP3 3119 -4.377 -6.800 5.023 1.00 0.00 WT1 H ATOM 11652 H2 TIP3 3119 2.079 0.580 14.124 1.00 0.00 WT1 H ATOM 11653 OH2 TIP3 3120 3.315 -0.899 -0.803 1.00 0.00 WT1 O ATOM 11654 H1 TIP3 3120 13.494 11.069 -7.409 1.00 0.00 WT1 H ATOM 11655 H2 TIP3 3120 -15.184 -10.982 -20.445 1.00 0.00 WT1 H ATOM 11656 OH2 TIP3 3121 -3.071 -0.508 -0.446 1.00 0.00 WT1 O ATOM 11657 H1 TIP3 3121 1.561 -12.723 -5.699 1.00 0.00 WT1 H ATOM 11658 H2 TIP3 3121 -3.798 -8.575 7.842 1.00 0.00 WT1 H ATOM 11659 OH2 TIP3 3123 -8.683 4.790 3.372 1.00 0.00 WT1 O ATOM 11660 H1 TIP3 3123 -25.076 -10.579 -8.184 1.00 0.00 WT1 H ATOM 11661 H2 TIP3 3123 18.900 18.379 5.704 1.00 0.00 WT1 H ATOM 11662 OH2 TIP3 3124 4.508 -1.874 -1.560 1.00 0.00 WT1 O ATOM 11663 H1 TIP3 3124 -6.422 -2.035 3.748 1.00 0.00 WT1 H ATOM 11664 H2 TIP3 3124 -21.867 3.462 13.903 1.00 0.00 WT1 H ATOM 11665 OH2 TIP3 3126 3.320 4.983 1.690 1.00 0.00 WT1 O ATOM 11666 H1 TIP3 3126 7.897 23.144 10.279 1.00 0.00 WT1 H ATOM 11667 H2 TIP3 3126 9.979 0.007 -2.672 1.00 0.00 WT1 H ATOM 11668 OH2 TIP3 3128 2.821 -3.884 1.395 1.00 0.00 WT1 O ATOM 11669 H1 TIP3 3128 8.942 5.270 3.597 1.00 0.00 WT1 H ATOM 11670 H2 TIP3 3128 16.953 14.540 11.263 1.00 0.00 WT1 H ATOM 11671 OH2 TIP3 3129 -1.891 2.918 -1.702 1.00 0.00 WT1 O ATOM 11672 H1 TIP3 3129 0.748 -9.472 7.192 1.00 0.00 WT1 H ATOM 11673 H2 TIP3 3129 -5.339 9.842 -2.553 1.00 0.00 WT1 H ATOM 11674 OH2 TIP3 3130 -6.448 -12.505 0.508 1.00 0.00 WT1 O ATOM 11675 H1 TIP3 3130 -0.963 4.404 0.929 1.00 0.00 WT1 H ATOM 11676 H2 TIP3 3130 -19.530 -15.434 7.830 1.00 0.00 WT1 H ATOM 11677 OH2 TIP3 3131 1.220 5.003 4.928 1.00 0.00 WT1 O ATOM 11678 H1 TIP3 3131 11.944 20.149 -19.372 1.00 0.00 WT1 H ATOM 11679 H2 TIP3 3131 -7.679 12.692 11.316 1.00 0.00 WT1 H ATOM 11680 OH2 TIP3 3132 1.619 -2.475 4.083 1.00 0.00 WT1 O ATOM 11681 H1 TIP3 3132 -24.240 9.588 -4.771 1.00 0.00 WT1 H ATOM 11682 H2 TIP3 3132 4.110 -2.957 2.840 1.00 0.00 WT1 H ATOM 11683 OH2 TIP3 3134 3.596 5.101 7.743 1.00 0.00 WT1 O ATOM 11684 H1 TIP3 3134 7.093 -4.682 19.100 1.00 0.00 WT1 H ATOM 11685 H2 TIP3 3134 13.083 16.075 2.610 1.00 0.00 WT1 H ATOM 11686 OH2 TIP3 3135 5.425 -1.149 -1.144 1.00 0.00 WT1 O ATOM 11687 H1 TIP3 3135 0.983 -6.801 -15.521 1.00 0.00 WT1 H ATOM 11688 H2 TIP3 3135 10.851 17.304 6.448 1.00 0.00 WT1 H ATOM 11689 OH2 TIP3 3136 8.874 1.034 -2.701 1.00 0.00 WT1 O ATOM 11690 H1 TIP3 3136 0.385 -9.581 -10.389 1.00 0.00 WT1 H ATOM 11691 H2 TIP3 3136 -9.499 5.775 -5.951 1.00 0.00 WT1 H ATOM 11692 OH2 TIP3 3137 -5.184 4.292 -1.065 1.00 0.00 WT1 O ATOM 11693 H1 TIP3 3137 4.208 -5.332 -25.845 1.00 0.00 WT1 H ATOM 11694 H2 TIP3 3137 9.800 3.814 -5.637 1.00 0.00 WT1 H ATOM 11695 OH2 TIP3 3138 2.492 -0.418 4.563 1.00 0.00 WT1 O ATOM 11696 H1 TIP3 3138 1.881 -6.223 -3.387 1.00 0.00 WT1 H ATOM 11697 H2 TIP3 3138 4.192 5.853 9.483 1.00 0.00 WT1 H ATOM 11698 OH2 TIP3 3139 -0.650 -0.974 -13.129 1.00 0.00 WT1 O ATOM 11699 H1 TIP3 3139 -0.746 16.035 -6.156 1.00 0.00 WT1 H ATOM 11700 H2 TIP3 3139 -5.319 18.491 2.415 1.00 0.00 WT1 H ATOM 11701 OH2 TIP3 3140 -0.745 -0.440 -1.226 1.00 0.00 WT1 O ATOM 11702 H1 TIP3 3140 -10.598 4.046 3.079 1.00 0.00 WT1 H ATOM 11703 H2 TIP3 3140 2.307 9.273 16.013 1.00 0.00 WT1 H ATOM 11704 OH2 TIP3 3142 6.376 1.552 0.169 1.00 0.00 WT1 O ATOM 11705 H1 TIP3 3142 -10.870 30.788 2.784 1.00 0.00 WT1 H ATOM 11706 H2 TIP3 3142 7.222 15.046 -15.052 1.00 0.00 WT1 H ATOM 11707 OH2 TIP3 3143 -5.208 -5.871 6.933 1.00 0.00 WT1 O ATOM 11708 H1 TIP3 3143 7.214 -4.601 -11.475 1.00 0.00 WT1 H ATOM 11709 H2 TIP3 3143 16.127 -15.438 11.397 1.00 0.00 WT1 H ATOM 11710 OH2 TIP3 3144 4.269 -0.807 -3.721 1.00 0.00 WT1 O ATOM 11711 H1 TIP3 3144 -8.408 15.777 -4.266 1.00 0.00 WT1 H ATOM 11712 H2 TIP3 3144 12.886 13.875 -2.375 1.00 0.00 WT1 H ATOM 11713 OH2 TIP3 3145 0.913 -4.540 0.379 1.00 0.00 WT1 O ATOM 11714 H1 TIP3 3145 9.936 -3.739 1.570 1.00 0.00 WT1 H ATOM 11715 H2 TIP3 3145 -16.217 15.201 -12.957 1.00 0.00 WT1 H ATOM 11716 OH2 TIP3 3146 -0.398 0.728 7.660 1.00 0.00 WT1 O ATOM 11717 H1 TIP3 3146 -11.199 -11.161 -7.073 1.00 0.00 WT1 H ATOM 11718 H2 TIP3 3146 22.529 6.337 -1.552 1.00 0.00 WT1 H ATOM 11719 OH2 TIP3 3147 2.837 -1.393 -3.332 1.00 0.00 WT1 O ATOM 11720 H1 TIP3 3147 -1.217 0.186 4.088 1.00 0.00 WT1 H ATOM 11721 H2 TIP3 3147 -5.333 4.117 8.816 1.00 0.00 WT1 H ATOM 11722 OH2 TIP3 3148 -10.942 -1.023 -1.586 1.00 0.00 WT1 O ATOM 11723 H1 TIP3 3148 -4.050 9.880 14.577 1.00 0.00 WT1 H ATOM 11724 H2 TIP3 3148 -19.723 -10.840 -1.266 1.00 0.00 WT1 H ATOM 11725 OH2 TIP3 3149 6.286 0.206 -2.438 1.00 0.00 WT1 O ATOM 11726 H1 TIP3 3149 -4.441 -3.736 -11.120 1.00 0.00 WT1 H ATOM 11727 H2 TIP3 3149 18.906 -4.183 -4.666 1.00 0.00 WT1 H ATOM 11728 OH2 TIP3 3150 -0.098 -3.545 -0.003 1.00 0.00 WT1 O ATOM 11729 H1 TIP3 3150 -7.274 9.595 9.567 1.00 0.00 WT1 H ATOM 11730 H2 TIP3 3150 2.431 8.881 6.153 1.00 0.00 WT1 H ATOM 11731 OH2 TIP3 3152 1.335 6.209 -4.172 1.00 0.00 WT1 O ATOM 11732 H1 TIP3 3152 5.210 -5.904 -21.211 1.00 0.00 WT1 H ATOM 11733 H2 TIP3 3152 -7.067 0.483 10.989 1.00 0.00 WT1 H ATOM 11734 OH2 TIP3 3153 -4.809 2.177 6.640 1.00 0.00 WT1 O ATOM 11735 H1 TIP3 3153 -20.705 3.507 -3.330 1.00 0.00 WT1 H ATOM 11736 H2 TIP3 3153 -10.818 12.911 -8.780 1.00 0.00 WT1 H ATOM 11737 OH2 TIP3 3154 -2.084 7.573 2.440 1.00 0.00 WT1 O ATOM 11738 H1 TIP3 3154 -8.875 17.216 -13.875 1.00 0.00 WT1 H ATOM 11739 H2 TIP3 3154 35.874 -2.062 -0.520 1.00 0.00 WT1 H ATOM 11740 OH2 TIP3 3155 5.750 -1.110 -0.082 1.00 0.00 WT1 O ATOM 11741 H1 TIP3 3155 15.933 7.897 -1.110 1.00 0.00 WT1 H ATOM 11742 H2 TIP3 3155 -0.491 -4.946 0.082 1.00 0.00 WT1 H ATOM 11743 OH2 TIP3 3157 -0.826 -3.296 -1.783 1.00 0.00 WT1 O ATOM 11744 H1 TIP3 3157 -3.612 -5.271 -1.173 1.00 0.00 WT1 H ATOM 11745 H2 TIP3 3157 -6.160 -5.862 3.893 1.00 0.00 WT1 H ATOM 11746 OH2 TIP3 3158 -3.758 -2.152 3.628 1.00 0.00 WT1 O ATOM 11747 H1 TIP3 3158 4.479 -6.901 2.801 1.00 0.00 WT1 H ATOM 11748 H2 TIP3 3158 -12.468 -40.760 -7.360 1.00 0.00 WT1 H ATOM 11749 OH2 TIP3 3159 1.309 -0.348 2.319 1.00 0.00 WT1 O ATOM 11750 H1 TIP3 3159 -4.074 -5.637 15.501 1.00 0.00 WT1 H ATOM 11751 H2 TIP3 3159 -1.191 -5.076 3.536 1.00 0.00 WT1 H ATOM 11752 OH2 TIP3 3160 -3.573 -0.913 2.780 1.00 0.00 WT1 O ATOM 11753 H1 TIP3 3160 30.322 14.283 7.598 1.00 0.00 WT1 H ATOM 11754 H2 TIP3 3160 4.212 24.829 1.058 1.00 0.00 WT1 H ATOM 11755 OH2 TIP3 3161 7.589 7.883 2.086 1.00 0.00 WT1 O ATOM 11756 H1 TIP3 3161 8.849 17.953 10.963 1.00 0.00 WT1 H ATOM 11757 H2 TIP3 3161 -4.058 3.154 8.021 1.00 0.00 WT1 H ATOM 11758 OH2 TIP3 3163 -1.737 0.148 -1.893 1.00 0.00 WT1 O ATOM 11759 H1 TIP3 3163 11.089 -0.304 -4.569 1.00 0.00 WT1 H ATOM 11760 H2 TIP3 3163 -0.358 0.258 -2.286 1.00 0.00 WT1 H ATOM 11761 OH2 TIP3 3164 6.240 -3.479 5.075 1.00 0.00 WT1 O ATOM 11762 H1 TIP3 3164 -1.124 -18.807 1.264 1.00 0.00 WT1 H ATOM 11763 H2 TIP3 3164 -10.749 -18.563 -18.611 1.00 0.00 WT1 H ATOM 11764 OH2 TIP3 3166 -2.258 -3.998 12.944 1.00 0.00 WT1 O ATOM 11765 H1 TIP3 3166 -19.793 7.301 18.817 1.00 0.00 WT1 H ATOM 11766 H2 TIP3 3166 -0.590 -0.552 11.327 1.00 0.00 WT1 H ATOM 11767 OH2 TIP3 3167 -5.478 -7.428 3.766 1.00 0.00 WT1 O ATOM 11768 H1 TIP3 3167 -7.271 4.081 19.519 1.00 0.00 WT1 H ATOM 11769 H2 TIP3 3167 -11.606 -9.856 -10.790 1.00 0.00 WT1 H ATOM 11770 OH2 TIP3 3168 6.932 -3.384 6.098 1.00 0.00 WT1 O ATOM 11771 H1 TIP3 3168 2.254 -6.432 -9.360 1.00 0.00 WT1 H ATOM 11772 H2 TIP3 3168 -15.311 0.317 15.838 1.00 0.00 WT1 H ATOM 11773 OH2 TIP3 3169 -0.862 -3.188 -2.548 1.00 0.00 WT1 O ATOM 11774 H1 TIP3 3169 0.501 -10.472 0.453 1.00 0.00 WT1 H ATOM 11775 H2 TIP3 3169 0.493 1.262 -3.008 1.00 0.00 WT1 H ATOM 11776 OH2 TIP3 3171 -0.764 1.869 2.768 1.00 0.00 WT1 O ATOM 11777 H1 TIP3 3171 -5.955 -0.210 -18.052 1.00 0.00 WT1 H ATOM 11778 H2 TIP3 3171 8.928 -6.376 -29.399 1.00 0.00 WT1 H ATOM 11779 OH2 TIP3 3173 -6.532 1.934 8.334 1.00 0.00 WT1 O ATOM 11780 H1 TIP3 3173 3.822 -20.241 13.169 1.00 0.00 WT1 H ATOM 11781 H2 TIP3 3173 5.466 4.796 2.466 1.00 0.00 WT1 H ATOM 11782 OH2 TIP3 3174 -3.089 1.042 -3.032 1.00 0.00 WT1 O ATOM 11783 H1 TIP3 3174 -5.233 -23.934 2.763 1.00 0.00 WT1 H ATOM 11784 H2 TIP3 3174 25.518 -1.217 -7.940 1.00 0.00 WT1 H ATOM 11785 OH2 TIP3 3175 2.325 -0.350 1.050 1.00 0.00 WT1 O ATOM 11786 H1 TIP3 3175 13.221 1.920 -25.075 1.00 0.00 WT1 H ATOM 11787 H2 TIP3 3175 15.462 13.828 8.669 1.00 0.00 WT1 H ATOM 11788 OH2 TIP3 3176 -1.644 3.655 0.386 1.00 0.00 WT1 O ATOM 11789 H1 TIP3 3176 -0.717 -0.878 3.451 1.00 0.00 WT1 H ATOM 11790 H2 TIP3 3176 14.060 -17.167 33.574 1.00 0.00 WT1 H ATOM 11791 OH2 TIP3 3177 -4.822 0.559 -4.623 1.00 0.00 WT1 O ATOM 11792 H1 TIP3 3177 7.596 -8.363 0.180 1.00 0.00 WT1 H ATOM 11793 H2 TIP3 3177 7.793 -8.477 0.865 1.00 0.00 WT1 H ATOM 11794 OH2 TIP3 3179 -0.847 6.587 -7.746 1.00 0.00 WT1 O ATOM 11795 H1 TIP3 3179 -5.811 3.934 -6.236 1.00 0.00 WT1 H ATOM 11796 H2 TIP3 3179 5.732 9.840 -10.677 1.00 0.00 WT1 H ATOM 11797 OH2 TIP3 3180 -1.149 3.109 1.033 1.00 0.00 WT1 O ATOM 11798 H1 TIP3 3180 9.302 -1.575 -0.421 1.00 0.00 WT1 H ATOM 11799 H2 TIP3 3180 1.815 1.250 -2.496 1.00 0.00 WT1 H ATOM 11800 OH2 TIP3 3181 1.374 2.968 2.267 1.00 0.00 WT1 O ATOM 11801 H1 TIP3 3181 -3.847 -0.066 7.593 1.00 0.00 WT1 H ATOM 11802 H2 TIP3 3181 -4.058 0.688 -5.365 1.00 0.00 WT1 H ATOM 11803 OH2 TIP3 3183 -0.528 -2.338 1.112 1.00 0.00 WT1 O ATOM 11804 H1 TIP3 3183 3.105 -8.336 2.176 1.00 0.00 WT1 H ATOM 11805 H2 TIP3 3183 -9.392 13.925 -1.043 1.00 0.00 WT1 H ATOM 11806 OH2 TIP3 3184 -5.404 -0.963 -6.011 1.00 0.00 WT1 O ATOM 11807 H1 TIP3 3184 0.383 -12.040 -3.885 1.00 0.00 WT1 H ATOM 11808 H2 TIP3 3184 11.147 -19.992 0.720 1.00 0.00 WT1 H ATOM 11809 OH2 TIP3 3186 2.570 1.986 0.595 1.00 0.00 WT1 O ATOM 11810 H1 TIP3 3186 3.430 -3.479 5.701 1.00 0.00 WT1 H ATOM 11811 H2 TIP3 3186 9.411 5.462 -2.413 1.00 0.00 WT1 H ATOM 11812 OH2 TIP3 3187 -6.551 -2.067 -6.834 1.00 0.00 WT1 O ATOM 11813 H1 TIP3 3187 9.507 0.780 -13.906 1.00 0.00 WT1 H ATOM 11814 H2 TIP3 3187 7.091 -19.795 7.383 1.00 0.00 WT1 H ATOM 11815 OH2 TIP3 3188 -3.007 4.984 -5.071 1.00 0.00 WT1 O ATOM 11816 H1 TIP3 3188 -11.701 17.380 -14.537 1.00 0.00 WT1 H ATOM 11817 H2 TIP3 3188 3.050 12.414 28.541 1.00 0.00 WT1 H ATOM 11818 OH2 TIP3 3189 1.752 -2.233 -0.084 1.00 0.00 WT1 O ATOM 11819 H1 TIP3 3189 2.011 0.230 -0.743 1.00 0.00 WT1 H ATOM 11820 H2 TIP3 3189 -3.585 22.700 -11.155 1.00 0.00 WT1 H ATOM 11821 OH2 TIP3 3190 -1.147 0.531 -0.102 1.00 0.00 WT1 O ATOM 11822 H1 TIP3 3190 2.741 -3.308 11.896 1.00 0.00 WT1 H ATOM 11823 H2 TIP3 3190 18.082 -11.196 6.699 1.00 0.00 WT1 H ATOM 11824 OH2 TIP3 3191 5.764 -3.539 0.888 1.00 0.00 WT1 O ATOM 11825 H1 TIP3 3191 1.033 0.178 5.768 1.00 0.00 WT1 H ATOM 11826 H2 TIP3 3191 10.423 3.558 -1.146 1.00 0.00 WT1 H ATOM 11827 OH2 TIP3 3192 -2.266 0.617 1.091 1.00 0.00 WT1 O ATOM 11828 H1 TIP3 3192 -3.081 -5.487 13.757 1.00 0.00 WT1 H ATOM 11829 H2 TIP3 3192 8.178 14.776 4.665 1.00 0.00 WT1 H ATOM 11830 OH2 TIP3 3193 1.172 3.451 11.136 1.00 0.00 WT1 O ATOM 11831 H1 TIP3 3193 -6.600 20.733 -2.558 1.00 0.00 WT1 H ATOM 11832 H2 TIP3 3193 14.838 -12.653 27.807 1.00 0.00 WT1 H ATOM 11833 OH2 TIP3 3194 0.997 2.735 -0.495 1.00 0.00 WT1 O ATOM 11834 H1 TIP3 3194 -8.238 -14.997 8.088 1.00 0.00 WT1 H ATOM 11835 H2 TIP3 3194 3.184 -29.182 -12.794 1.00 0.00 WT1 H ATOM 11836 OH2 TIP3 3195 -0.098 -4.764 -4.889 1.00 0.00 WT1 O ATOM 11837 H1 TIP3 3195 -4.876 5.832 0.926 1.00 0.00 WT1 H ATOM 11838 H2 TIP3 3195 -12.250 0.450 -1.272 1.00 0.00 WT1 H ATOM 11839 OH2 TIP3 3196 1.610 -6.943 -0.748 1.00 0.00 WT1 O ATOM 11840 H1 TIP3 3196 3.529 15.740 12.395 1.00 0.00 WT1 H ATOM 11841 H2 TIP3 3196 -0.703 -13.610 0.440 1.00 0.00 WT1 H ATOM 11842 OH2 TIP3 3197 0.378 -9.924 -1.355 1.00 0.00 WT1 O ATOM 11843 H1 TIP3 3197 -3.574 -9.289 -31.068 1.00 0.00 WT1 H ATOM 11844 H2 TIP3 3197 -25.151 2.273 11.928 1.00 0.00 WT1 H ATOM 11845 OH2 TIP3 3198 -2.929 4.124 -0.171 1.00 0.00 WT1 O ATOM 11846 H1 TIP3 3198 5.078 18.963 3.206 1.00 0.00 WT1 H ATOM 11847 H2 TIP3 3198 -10.787 2.693 -6.839 1.00 0.00 WT1 H ATOM 11848 OH2 TIP3 3199 4.013 -4.425 -4.220 1.00 0.00 WT1 O ATOM 11849 H1 TIP3 3199 12.924 -3.214 -5.565 1.00 0.00 WT1 H ATOM 11850 H2 TIP3 3199 1.526 0.551 0.760 1.00 0.00 WT1 H ATOM 11851 OH2 TIP3 3200 -3.421 -10.599 3.064 1.00 0.00 WT1 O ATOM 11852 H1 TIP3 3200 5.087 -15.924 12.478 1.00 0.00 WT1 H ATOM 11853 H2 TIP3 3200 12.531 -8.444 13.623 1.00 0.00 WT1 H ATOM 11854 OH2 TIP3 3202 0.456 -2.657 1.040 1.00 0.00 WT1 O ATOM 11855 H1 TIP3 3202 -15.605 -27.704 -0.868 1.00 0.00 WT1 H ATOM 11856 H2 TIP3 3202 3.626 19.553 -0.418 1.00 0.00 WT1 H ATOM 11857 OH2 TIP3 3206 -3.245 -1.420 -3.193 1.00 0.00 WT1 O ATOM 11858 H1 TIP3 3206 -8.065 -8.121 3.353 1.00 0.00 WT1 H ATOM 11859 H2 TIP3 3206 -2.387 -3.216 -3.013 1.00 0.00 WT1 H ATOM 11860 OH2 TIP3 3207 -0.346 -0.959 2.035 1.00 0.00 WT1 O ATOM 11861 H1 TIP3 3207 -1.928 -6.028 -2.525 1.00 0.00 WT1 H ATOM 11862 H2 TIP3 3207 3.320 -19.348 0.435 1.00 0.00 WT1 H ATOM 11863 OH2 TIP3 3208 -3.222 -1.543 0.212 1.00 0.00 WT1 O ATOM 11864 H1 TIP3 3208 2.289 7.107 -10.055 1.00 0.00 WT1 H ATOM 11865 H2 TIP3 3208 2.306 -3.581 16.216 1.00 0.00 WT1 H ATOM 11866 OH2 TIP3 3209 -4.141 -6.193 3.701 1.00 0.00 WT1 O ATOM 11867 H1 TIP3 3209 -3.733 -3.024 12.012 1.00 0.00 WT1 H ATOM 11868 H2 TIP3 3209 -12.813 2.659 -11.678 1.00 0.00 WT1 H ATOM 11869 OH2 TIP3 3210 -6.763 3.492 -12.699 1.00 0.00 WT1 O ATOM 11870 H1 TIP3 3210 -5.123 -9.464 4.179 1.00 0.00 WT1 H ATOM 11871 H2 TIP3 3210 15.655 12.728 -43.836 1.00 0.00 WT1 H ATOM 11872 OH2 TIP3 3211 -4.170 -4.773 -4.429 1.00 0.00 WT1 O ATOM 11873 H1 TIP3 3211 -1.109 4.940 -3.617 1.00 0.00 WT1 H ATOM 11874 H2 TIP3 3211 -6.936 -2.666 3.316 1.00 0.00 WT1 H ATOM 11875 OH2 TIP3 3212 -3.330 -3.961 -0.249 1.00 0.00 WT1 O ATOM 11876 H1 TIP3 3212 -2.446 -2.394 -0.042 1.00 0.00 WT1 H ATOM 11877 H2 TIP3 3212 -2.883 -8.021 -16.723 1.00 0.00 WT1 H ATOM 11878 OH2 TIP3 3213 -4.301 1.141 -0.249 1.00 0.00 WT1 O ATOM 11879 H1 TIP3 3213 -5.603 2.881 6.980 1.00 0.00 WT1 H ATOM 11880 H2 TIP3 3213 2.881 -3.136 -16.804 1.00 0.00 WT1 H ATOM 11881 OH2 TIP3 3214 -2.344 2.467 5.584 1.00 0.00 WT1 O ATOM 11882 H1 TIP3 3214 -3.681 -4.640 14.870 1.00 0.00 WT1 H ATOM 11883 H2 TIP3 3214 -30.773 -27.287 19.134 1.00 0.00 WT1 H ATOM 11884 OH2 TIP3 3215 -1.969 -8.688 -1.805 1.00 0.00 WT1 O ATOM 11885 H1 TIP3 3215 2.754 -17.193 -7.069 1.00 0.00 WT1 H ATOM 11886 H2 TIP3 3215 -2.643 -1.915 -12.646 1.00 0.00 WT1 H ATOM 11887 OH2 TIP3 3216 -0.861 -8.850 0.337 1.00 0.00 WT1 O ATOM 11888 H1 TIP3 3216 -5.589 5.782 -7.349 1.00 0.00 WT1 H ATOM 11889 H2 TIP3 3216 18.197 -6.446 2.438 1.00 0.00 WT1 H ATOM 11890 OH2 TIP3 3217 1.640 3.547 -13.901 1.00 0.00 WT1 O ATOM 11891 H1 TIP3 3217 4.348 -3.325 -12.183 1.00 0.00 WT1 H ATOM 11892 H2 TIP3 3217 0.459 7.966 -12.015 1.00 0.00 WT1 H ATOM 11893 OH2 TIP3 3218 -2.949 -9.378 -0.822 1.00 0.00 WT1 O ATOM 11894 H1 TIP3 3218 -1.767 -18.345 -1.785 1.00 0.00 WT1 H ATOM 11895 H2 TIP3 3218 8.780 12.552 2.530 1.00 0.00 WT1 H ATOM 11896 OH2 TIP3 3219 -5.056 -1.904 0.216 1.00 0.00 WT1 O ATOM 11897 H1 TIP3 3219 -16.691 2.146 -20.895 1.00 0.00 WT1 H ATOM 11898 H2 TIP3 3219 4.053 -10.377 -4.129 1.00 0.00 WT1 H ATOM 11899 OH2 TIP3 3220 0.419 4.673 2.181 1.00 0.00 WT1 O ATOM 11900 H1 TIP3 3220 13.263 5.936 -8.526 1.00 0.00 WT1 H ATOM 11901 H2 TIP3 3220 -0.904 4.954 2.329 1.00 0.00 WT1 H ATOM 11902 OH2 TIP3 3223 -2.438 -0.162 -4.871 1.00 0.00 WT1 O ATOM 11903 H1 TIP3 3223 -5.397 -2.361 -16.244 1.00 0.00 WT1 H ATOM 11904 H2 TIP3 3223 7.586 11.569 -13.365 1.00 0.00 WT1 H ATOM 11905 OH2 TIP3 3225 4.145 -3.678 6.491 1.00 0.00 WT1 O ATOM 11906 H1 TIP3 3225 8.810 -17.011 -17.920 1.00 0.00 WT1 H ATOM 11907 H2 TIP3 3225 -22.351 14.189 -5.995 1.00 0.00 WT1 H ATOM 11908 OH2 TIP3 3226 -0.281 6.899 4.422 1.00 0.00 WT1 O ATOM 11909 H1 TIP3 3226 -4.167 6.349 3.046 1.00 0.00 WT1 H ATOM 11910 H2 TIP3 3226 11.885 9.812 4.287 1.00 0.00 WT1 H ATOM 11911 OH2 TIP3 3227 -0.072 -6.970 -1.488 1.00 0.00 WT1 O ATOM 11912 H1 TIP3 3227 -10.561 13.312 2.410 1.00 0.00 WT1 H ATOM 11913 H2 TIP3 3227 5.674 -29.233 9.052 1.00 0.00 WT1 H ATOM 11914 OH2 TIP3 3228 -0.133 2.415 4.691 1.00 0.00 WT1 O ATOM 11915 H1 TIP3 3228 -17.346 15.609 13.648 1.00 0.00 WT1 H ATOM 11916 H2 TIP3 3228 2.661 30.921 -2.882 1.00 0.00 WT1 H ATOM 11917 OH2 TIP3 3230 9.143 -3.197 3.995 1.00 0.00 WT1 O ATOM 11918 H1 TIP3 3230 12.732 6.057 -5.060 1.00 0.00 WT1 H ATOM 11919 H2 TIP3 3230 -19.906 -0.666 1.115 1.00 0.00 WT1 H ATOM 11920 OH2 TIP3 3231 -0.044 -2.556 0.114 1.00 0.00 WT1 O ATOM 11921 H1 TIP3 3231 -7.716 -14.694 16.377 1.00 0.00 WT1 H ATOM 11922 H2 TIP3 3231 17.337 -8.808 30.960 1.00 0.00 WT1 H ATOM 11923 OH2 TIP3 3232 1.766 -6.627 -4.713 1.00 0.00 WT1 O ATOM 11924 H1 TIP3 3232 -20.175 -1.290 9.135 1.00 0.00 WT1 H ATOM 11925 H2 TIP3 3232 -2.740 -5.942 -14.294 1.00 0.00 WT1 H ATOM 11926 OH2 TIP3 3233 5.910 -5.822 -3.159 1.00 0.00 WT1 O ATOM 11927 H1 TIP3 3233 1.995 0.775 -5.382 1.00 0.00 WT1 H ATOM 11928 H2 TIP3 3233 -21.314 -9.597 -18.442 1.00 0.00 WT1 H ATOM 11929 OH2 TIP3 3234 -4.116 -7.097 3.186 1.00 0.00 WT1 O ATOM 11930 H1 TIP3 3234 -8.022 -10.753 14.413 1.00 0.00 WT1 H ATOM 11931 H2 TIP3 3234 0.232 -6.185 -8.501 1.00 0.00 WT1 H ATOM 11932 OH2 TIP3 3235 -4.176 1.322 -2.082 1.00 0.00 WT1 O ATOM 11933 H1 TIP3 3235 0.546 1.862 3.183 1.00 0.00 WT1 H ATOM 11934 H2 TIP3 3235 20.367 1.373 16.047 1.00 0.00 WT1 H ATOM 11935 OH2 TIP3 3236 0.380 2.453 -1.288 1.00 0.00 WT1 O ATOM 11936 H1 TIP3 3236 10.520 1.480 -13.217 1.00 0.00 WT1 H ATOM 11937 H2 TIP3 3236 -13.898 3.888 4.944 1.00 0.00 WT1 H ATOM 11938 OH2 TIP3 3237 -2.446 4.761 0.426 1.00 0.00 WT1 O ATOM 11939 H1 TIP3 3237 20.417 -18.752 5.262 1.00 0.00 WT1 H ATOM 11940 H2 TIP3 3237 -25.704 18.940 1.407 1.00 0.00 WT1 H ATOM 11941 OH2 TIP3 3238 -1.004 -4.031 -2.985 1.00 0.00 WT1 O ATOM 11942 H1 TIP3 3238 18.301 -0.747 -6.973 1.00 0.00 WT1 H ATOM 11943 H2 TIP3 3238 -4.375 12.050 -7.678 1.00 0.00 WT1 H ATOM 11944 OH2 TIP3 3239 3.342 0.024 -2.126 1.00 0.00 WT1 O ATOM 11945 H1 TIP3 3239 6.426 -10.331 -3.247 1.00 0.00 WT1 H ATOM 11946 H2 TIP3 3239 -0.117 6.225 26.196 1.00 0.00 WT1 H ATOM 11947 OH2 TIP3 3240 -4.577 4.512 3.674 1.00 0.00 WT1 O ATOM 11948 H1 TIP3 3240 3.633 8.366 -9.888 1.00 0.00 WT1 H ATOM 11949 H2 TIP3 3240 -17.158 13.575 2.535 1.00 0.00 WT1 H ATOM 11950 OH2 TIP3 3241 2.495 1.940 1.557 1.00 0.00 WT1 O ATOM 11951 H1 TIP3 3241 -6.102 -8.468 -5.102 1.00 0.00 WT1 H ATOM 11952 H2 TIP3 3241 -10.907 -15.733 -8.378 1.00 0.00 WT1 H ATOM 11953 OH2 TIP3 3242 1.617 -6.714 -2.463 1.00 0.00 WT1 O ATOM 11954 H1 TIP3 3242 -7.151 12.853 -7.631 1.00 0.00 WT1 H ATOM 11955 H2 TIP3 3242 -1.568 -7.631 -0.898 1.00 0.00 WT1 H ATOM 11956 OH2 TIP3 3243 2.100 -1.409 1.998 1.00 0.00 WT1 O ATOM 11957 H1 TIP3 3243 5.036 4.855 6.699 1.00 0.00 WT1 H ATOM 11958 H2 TIP3 3243 5.135 -9.826 4.811 1.00 0.00 WT1 H ATOM 11959 OH2 TIP3 3244 2.145 7.401 -1.161 1.00 0.00 WT1 O ATOM 11960 H1 TIP3 3244 1.106 5.120 0.610 1.00 0.00 WT1 H ATOM 11961 H2 TIP3 3244 -1.690 -7.092 -4.048 1.00 0.00 WT1 H ATOM 11962 OH2 TIP3 3245 -1.161 -2.184 -3.334 1.00 0.00 WT1 O ATOM 11963 H1 TIP3 3245 -13.884 -3.563 18.789 1.00 0.00 WT1 H ATOM 11964 H2 TIP3 3245 -5.724 3.296 12.140 1.00 0.00 WT1 H ATOM 11965 OH2 TIP3 3246 -3.236 -4.925 -1.737 1.00 0.00 WT1 O ATOM 11966 H1 TIP3 3246 -13.553 -7.357 2.095 1.00 0.00 WT1 H ATOM 11967 H2 TIP3 3246 -12.701 -1.568 -10.561 1.00 0.00 WT1 H ATOM 11968 OH2 TIP3 3247 -1.287 -6.264 -2.308 1.00 0.00 WT1 O ATOM 11969 H1 TIP3 3247 -1.259 -13.828 8.434 1.00 0.00 WT1 H ATOM 11970 H2 TIP3 3247 -6.884 3.128 12.242 1.00 0.00 WT1 H ATOM 11971 OH2 TIP3 3249 3.248 1.754 7.097 1.00 0.00 WT1 O ATOM 11972 H1 TIP3 3249 1.406 11.764 -3.388 1.00 0.00 WT1 H ATOM 11973 H2 TIP3 3249 1.985 -3.588 10.641 1.00 0.00 WT1 H ATOM 11974 OH2 TIP3 3250 2.540 0.133 4.722 1.00 0.00 WT1 O ATOM 11975 H1 TIP3 3250 -8.309 13.781 18.813 1.00 0.00 WT1 H ATOM 11976 H2 TIP3 3250 24.096 9.692 -6.064 1.00 0.00 WT1 H ATOM 11977 OH2 TIP3 3251 -2.654 0.754 1.022 1.00 0.00 WT1 O ATOM 11978 H1 TIP3 3251 -7.553 11.495 -24.142 1.00 0.00 WT1 H ATOM 11979 H2 TIP3 3251 20.187 2.000 -1.733 1.00 0.00 WT1 H ATOM 11980 OH2 TIP3 3252 3.641 2.294 1.977 1.00 0.00 WT1 O ATOM 11981 H1 TIP3 3252 -16.395 -13.368 2.561 1.00 0.00 WT1 H ATOM 11982 H2 TIP3 3252 4.717 -1.429 -20.158 1.00 0.00 WT1 H ATOM 11983 OH2 TIP3 3253 1.089 -5.359 -0.897 1.00 0.00 WT1 O ATOM 11984 H1 TIP3 3253 -0.039 -9.298 0.915 1.00 0.00 WT1 H ATOM 11985 H2 TIP3 3253 -1.019 -11.222 -6.534 1.00 0.00 WT1 H ATOM 11986 OH2 TIP3 3254 3.177 2.277 -9.114 1.00 0.00 WT1 O ATOM 11987 H1 TIP3 3254 11.197 -22.104 3.939 1.00 0.00 WT1 H ATOM 11988 H2 TIP3 3254 6.489 2.220 -8.676 1.00 0.00 WT1 H ATOM 11989 OH2 TIP3 3255 1.121 1.242 0.507 1.00 0.00 WT1 O ATOM 11990 H1 TIP3 3255 4.829 -2.878 5.001 1.00 0.00 WT1 H ATOM 11991 H2 TIP3 3255 6.422 -13.821 0.085 1.00 0.00 WT1 H ATOM 11992 OH2 TIP3 3256 -0.306 5.497 -0.967 1.00 0.00 WT1 O ATOM 11993 H1 TIP3 3256 8.046 -23.423 16.505 1.00 0.00 WT1 H ATOM 11994 H2 TIP3 3256 0.019 -6.642 3.044 1.00 0.00 WT1 H ATOM 11995 OH2 TIP3 3257 6.279 -1.548 -2.962 1.00 0.00 WT1 O ATOM 11996 H1 TIP3 3257 2.849 -1.449 -5.326 1.00 0.00 WT1 H ATOM 11997 H2 TIP3 3257 16.942 -6.557 -3.058 1.00 0.00 WT1 H ATOM 11998 OH2 TIP3 3258 -3.108 -1.356 2.620 1.00 0.00 WT1 O ATOM 11999 H1 TIP3 3258 -2.350 -1.808 -4.551 1.00 0.00 WT1 H ATOM 12000 H2 TIP3 3258 8.632 2.811 -9.459 1.00 0.00 WT1 H ATOM 12001 OH2 TIP3 3259 -0.276 1.498 1.532 1.00 0.00 WT1 O ATOM 12002 H1 TIP3 3259 1.944 5.114 10.617 1.00 0.00 WT1 H ATOM 12003 H2 TIP3 3259 8.070 5.207 0.088 1.00 0.00 WT1 H ATOM 12004 OH2 TIP3 3260 0.503 -8.616 -2.632 1.00 0.00 WT1 O ATOM 12005 H1 TIP3 3260 5.065 13.923 -16.439 1.00 0.00 WT1 H ATOM 12006 H2 TIP3 3260 18.382 -21.673 4.163 1.00 0.00 WT1 H ATOM 12007 OH2 TIP3 3262 -0.809 -1.284 -3.770 1.00 0.00 WT1 O ATOM 12008 H1 TIP3 3262 -10.039 14.193 4.846 1.00 0.00 WT1 H ATOM 12009 H2 TIP3 3262 8.255 -5.752 3.149 1.00 0.00 WT1 H ATOM 12010 OH2 TIP3 3263 2.895 -3.903 8.526 1.00 0.00 WT1 O ATOM 12011 H1 TIP3 3263 3.723 -11.078 -4.999 1.00 0.00 WT1 H ATOM 12012 H2 TIP3 3263 0.631 -12.944 12.315 1.00 0.00 WT1 H ATOM 12013 OH2 TIP3 3264 -4.143 -3.326 3.679 1.00 0.00 WT1 O ATOM 12014 H1 TIP3 3264 -4.308 -8.123 12.654 1.00 0.00 WT1 H ATOM 12015 H2 TIP3 3264 8.691 19.123 6.863 1.00 0.00 WT1 H ATOM 12016 OH2 TIP3 3265 -2.984 -1.653 0.648 1.00 0.00 WT1 O ATOM 12017 H1 TIP3 3265 -8.181 -14.590 -8.007 1.00 0.00 WT1 H ATOM 12018 H2 TIP3 3265 25.027 15.466 -11.369 1.00 0.00 WT1 H ATOM 12019 OH2 TIP3 3266 -1.343 -1.010 -7.532 1.00 0.00 WT1 O ATOM 12020 H1 TIP3 3266 16.603 -8.042 18.882 1.00 0.00 WT1 H ATOM 12021 H2 TIP3 3266 -28.536 2.909 6.361 1.00 0.00 WT1 H ATOM 12022 OH2 TIP3 3268 8.869 1.599 -1.702 1.00 0.00 WT1 O ATOM 12023 H1 TIP3 3268 3.893 0.703 -8.313 1.00 0.00 WT1 H ATOM 12024 H2 TIP3 3268 7.266 -5.582 -8.879 1.00 0.00 WT1 H ATOM 12025 OH2 TIP3 3269 1.165 0.254 7.407 1.00 0.00 WT1 O ATOM 12026 H1 TIP3 3269 -5.399 -0.860 7.434 1.00 0.00 WT1 H ATOM 12027 H2 TIP3 3269 5.278 -5.808 9.279 1.00 0.00 WT1 H ATOM 12028 OH2 TIP3 3270 6.403 -0.016 1.006 1.00 0.00 WT1 O ATOM 12029 H1 TIP3 3270 -1.084 6.355 17.814 1.00 0.00 WT1 H ATOM 12030 H2 TIP3 3270 12.755 3.770 -0.124 1.00 0.00 WT1 H ATOM 12031 OH2 TIP3 3271 -1.101 5.091 -5.928 1.00 0.00 WT1 O ATOM 12032 H1 TIP3 3271 -8.695 29.219 10.362 1.00 0.00 WT1 H ATOM 12033 H2 TIP3 3271 -20.273 -15.901 -14.942 1.00 0.00 WT1 H ATOM 12034 OH2 TIP3 3274 0.725 -7.153 -0.662 1.00 0.00 WT1 O ATOM 12035 H1 TIP3 3274 2.358 -10.517 -7.770 1.00 0.00 WT1 H ATOM 12036 H2 TIP3 3274 3.082 12.379 10.645 1.00 0.00 WT1 H ATOM 12037 OH2 TIP3 3276 1.113 -4.465 -0.580 1.00 0.00 WT1 O ATOM 12038 H1 TIP3 3276 -12.804 22.325 17.756 1.00 0.00 WT1 H ATOM 12039 H2 TIP3 3276 6.677 -18.681 -9.015 1.00 0.00 WT1 H ATOM 12040 OH2 TIP3 3277 -2.352 0.847 -3.545 1.00 0.00 WT1 O ATOM 12041 H1 TIP3 3277 -10.825 -2.936 -1.727 1.00 0.00 WT1 H ATOM 12042 H2 TIP3 3277 -1.008 -4.758 -0.427 1.00 0.00 WT1 H ATOM 12043 OH2 TIP3 3278 5.022 -1.353 1.969 1.00 0.00 WT1 O ATOM 12044 H1 TIP3 3278 11.314 -0.014 3.350 1.00 0.00 WT1 H ATOM 12045 H2 TIP3 3278 -12.898 -5.084 -4.645 1.00 0.00 WT1 H ATOM 12046 OH2 TIP3 3279 3.752 -0.673 2.558 1.00 0.00 WT1 O ATOM 12047 H1 TIP3 3279 -17.132 -10.909 -8.524 1.00 0.00 WT1 H ATOM 12048 H2 TIP3 3279 -13.191 41.925 -7.090 1.00 0.00 WT1 H ATOM 12049 OH2 TIP3 3280 -4.199 -6.630 11.830 1.00 0.00 WT1 O ATOM 12050 H1 TIP3 3280 19.373 8.367 24.742 1.00 0.00 WT1 H ATOM 12051 H2 TIP3 3280 10.389 -15.520 18.030 1.00 0.00 WT1 H ATOM 12052 OH2 TIP3 3281 -3.520 1.574 -0.122 1.00 0.00 WT1 O ATOM 12053 H1 TIP3 3281 -9.780 -6.282 -13.358 1.00 0.00 WT1 H ATOM 12054 H2 TIP3 3281 -6.525 -6.448 5.785 1.00 0.00 WT1 H ATOM 12055 OH2 TIP3 3282 8.909 -3.861 -0.574 1.00 0.00 WT1 O ATOM 12056 H1 TIP3 3282 2.556 -7.139 -3.981 1.00 0.00 WT1 H ATOM 12057 H2 TIP3 3282 14.086 -0.730 3.626 1.00 0.00 WT1 H ATOM 12058 OH2 TIP3 3283 -3.542 -9.427 3.936 1.00 0.00 WT1 O ATOM 12059 H1 TIP3 3283 -8.756 2.911 3.659 1.00 0.00 WT1 H ATOM 12060 H2 TIP3 3283 -1.958 -0.703 -4.020 1.00 0.00 WT1 H ATOM 12061 OH2 TIP3 3284 1.199 2.558 0.485 1.00 0.00 WT1 O ATOM 12062 H1 TIP3 3284 -8.625 25.041 -16.241 1.00 0.00 WT1 H ATOM 12063 H2 TIP3 3284 -0.883 7.399 -3.923 1.00 0.00 WT1 H ATOM 12064 OH2 TIP3 3285 2.050 3.188 -2.624 1.00 0.00 WT1 O ATOM 12065 H1 TIP3 3285 -5.967 18.806 -11.885 1.00 0.00 WT1 H ATOM 12066 H2 TIP3 3285 2.500 2.621 -1.767 1.00 0.00 WT1 H ATOM 12067 OH2 TIP3 3287 -0.255 -2.173 -2.538 1.00 0.00 WT1 O ATOM 12068 H1 TIP3 3287 -2.353 -1.908 -2.195 1.00 0.00 WT1 H ATOM 12069 H2 TIP3 3287 -4.332 -2.846 0.510 1.00 0.00 WT1 H ATOM 12070 OH2 TIP3 3289 -8.013 -5.253 0.823 1.00 0.00 WT1 O ATOM 12071 H1 TIP3 3289 -33.873 8.323 17.964 1.00 0.00 WT1 H ATOM 12072 H2 TIP3 3289 -23.756 4.423 5.780 1.00 0.00 WT1 H ATOM 12073 OH2 TIP3 3292 -0.839 -2.905 -2.951 1.00 0.00 WT1 O ATOM 12074 H1 TIP3 3292 9.388 22.262 5.783 1.00 0.00 WT1 H ATOM 12075 H2 TIP3 3292 1.994 -5.290 -1.464 1.00 0.00 WT1 H ATOM 12076 OH2 TIP3 3294 1.795 3.705 2.557 1.00 0.00 WT1 O ATOM 12077 H1 TIP3 3294 1.934 0.699 0.262 1.00 0.00 WT1 H ATOM 12078 H2 TIP3 3294 8.940 2.150 9.316 1.00 0.00 WT1 H ATOM 12079 OH2 TIP3 3295 -7.497 -2.158 -0.669 1.00 0.00 WT1 O ATOM 12080 H1 TIP3 3295 4.957 2.918 -2.020 1.00 0.00 WT1 H ATOM 12081 H2 TIP3 3295 -0.009 -16.155 18.578 1.00 0.00 WT1 H ATOM 12082 OH2 TIP3 3296 7.635 -3.401 5.153 1.00 0.00 WT1 O ATOM 12083 H1 TIP3 3296 -2.473 -5.286 -9.490 1.00 0.00 WT1 H ATOM 12084 H2 TIP3 3296 3.263 10.747 -2.755 1.00 0.00 WT1 H ATOM 12085 OH2 TIP3 3297 0.696 4.701 -3.892 1.00 0.00 WT1 O ATOM 12086 H1 TIP3 3297 6.406 -22.866 -8.345 1.00 0.00 WT1 H ATOM 12087 H2 TIP3 3297 -3.249 1.325 28.853 1.00 0.00 WT1 H ATOM 12088 OH2 TIP3 3298 -7.591 -6.425 -0.996 1.00 0.00 WT1 O ATOM 12089 H1 TIP3 3298 -4.225 7.778 1.864 1.00 0.00 WT1 H ATOM 12090 H2 TIP3 3298 -1.135 -11.373 3.746 1.00 0.00 WT1 H ATOM 12091 OH2 TIP3 3299 3.578 -0.194 -2.749 1.00 0.00 WT1 O ATOM 12092 H1 TIP3 3299 4.376 2.611 -6.000 1.00 0.00 WT1 H ATOM 12093 H2 TIP3 3299 14.981 -4.276 -12.986 1.00 0.00 WT1 H ATOM 12094 OH2 TIP3 3300 2.194 -0.092 -1.094 1.00 0.00 WT1 O ATOM 12095 H1 TIP3 3300 0.872 -2.680 -2.047 1.00 0.00 WT1 H ATOM 12096 H2 TIP3 3300 -6.645 -19.162 -7.733 1.00 0.00 WT1 H ATOM 12097 OH2 TIP3 3301 -6.683 -4.297 0.027 1.00 0.00 WT1 O ATOM 12098 H1 TIP3 3301 -1.515 21.013 1.993 1.00 0.00 WT1 H ATOM 12099 H2 TIP3 3301 -6.184 0.277 0.093 1.00 0.00 WT1 H ATOM 12100 OH2 TIP3 3302 0.799 3.830 -1.884 1.00 0.00 WT1 O ATOM 12101 H1 TIP3 3302 -16.392 -8.428 -21.065 1.00 0.00 WT1 H ATOM 12102 H2 TIP3 3302 5.425 30.850 -12.611 1.00 0.00 WT1 H ATOM 12103 OH2 TIP3 3303 -2.266 4.749 -2.592 1.00 0.00 WT1 O ATOM 12104 H1 TIP3 3303 -8.506 -9.477 -15.149 1.00 0.00 WT1 H ATOM 12105 H2 TIP3 3303 -7.174 -1.902 0.326 1.00 0.00 WT1 H ATOM 12106 OH2 TIP3 3304 0.160 3.488 -5.656 1.00 0.00 WT1 O ATOM 12107 H1 TIP3 3304 5.770 30.263 -11.796 1.00 0.00 WT1 H ATOM 12108 H2 TIP3 3304 -3.413 -2.521 -19.137 1.00 0.00 WT1 H ATOM 12109 OH2 TIP3 3305 1.526 -5.938 -1.677 1.00 0.00 WT1 O ATOM 12110 H1 TIP3 3305 6.224 7.459 -8.305 1.00 0.00 WT1 H ATOM 12111 H2 TIP3 3305 -4.158 -22.377 4.737 1.00 0.00 WT1 H ATOM 12112 OH2 TIP3 3308 2.602 -3.197 -1.035 1.00 0.00 WT1 O ATOM 12113 H1 TIP3 3308 -8.703 -2.555 6.420 1.00 0.00 WT1 H ATOM 12114 H2 TIP3 3308 -4.931 -5.292 -12.142 1.00 0.00 WT1 H ATOM 12115 OH2 TIP3 3309 5.013 -6.348 -3.402 1.00 0.00 WT1 O ATOM 12116 H1 TIP3 3309 -1.887 6.784 5.761 1.00 0.00 WT1 H ATOM 12117 H2 TIP3 3309 17.521 -20.848 -7.263 1.00 0.00 WT1 H ATOM 12118 OH2 TIP3 3310 8.988 -0.695 -1.435 1.00 0.00 WT1 O ATOM 12119 H1 TIP3 3310 3.449 6.949 4.396 1.00 0.00 WT1 H ATOM 12120 H2 TIP3 3310 5.798 19.032 8.062 1.00 0.00 WT1 H ATOM 12121 OH2 TIP3 3313 -5.267 2.461 3.548 1.00 0.00 WT1 O ATOM 12122 H1 TIP3 3313 19.005 -3.103 7.145 1.00 0.00 WT1 H ATOM 12123 H2 TIP3 3313 -0.033 14.909 -24.318 1.00 0.00 WT1 H ATOM 12124 OH2 TIP3 3316 -1.775 0.518 -0.464 1.00 0.00 WT1 O ATOM 12125 H1 TIP3 3316 -10.888 -0.449 -4.089 1.00 0.00 WT1 H ATOM 12126 H2 TIP3 3316 6.245 -0.264 2.847 1.00 0.00 WT1 H ATOM 12127 OH2 TIP3 3317 2.355 -10.683 -3.873 1.00 0.00 WT1 O ATOM 12128 H1 TIP3 3317 -2.063 -5.870 7.210 1.00 0.00 WT1 H ATOM 12129 H2 TIP3 3317 10.601 -1.771 -19.770 1.00 0.00 WT1 H ATOM 12130 OH2 TIP3 3319 -1.450 0.201 5.358 1.00 0.00 WT1 O ATOM 12131 H1 TIP3 3319 4.998 -2.524 -0.878 1.00 0.00 WT1 H ATOM 12132 H2 TIP3 3319 -15.121 9.231 20.289 1.00 0.00 WT1 H ATOM 12133 OH2 TIP3 3320 -3.321 6.159 -0.280 1.00 0.00 WT1 O ATOM 12134 H1 TIP3 3320 -7.255 0.003 9.335 1.00 0.00 WT1 H ATOM 12135 H2 TIP3 3320 16.854 -11.378 26.034 1.00 0.00 WT1 H ATOM 12136 OH2 TIP3 3321 1.910 0.454 -5.659 1.00 0.00 WT1 O ATOM 12137 H1 TIP3 3321 7.323 -0.496 -0.204 1.00 0.00 WT1 H ATOM 12138 H2 TIP3 3321 10.466 5.902 0.969 1.00 0.00 WT1 H ATOM 12139 OH2 TIP3 3322 -2.293 -0.188 2.482 1.00 0.00 WT1 O ATOM 12140 H1 TIP3 3322 -8.577 -11.810 17.540 1.00 0.00 WT1 H ATOM 12141 H2 TIP3 3322 -3.354 19.394 5.911 1.00 0.00 WT1 H ATOM 12142 OH2 TIP3 3323 -1.241 -1.788 1.362 1.00 0.00 WT1 O ATOM 12143 H1 TIP3 3323 8.777 3.763 -13.549 1.00 0.00 WT1 H ATOM 12144 H2 TIP3 3323 1.568 5.093 -7.600 1.00 0.00 WT1 H ATOM 12145 OH2 TIP3 3324 7.687 0.840 3.692 1.00 0.00 WT1 O ATOM 12146 H1 TIP3 3324 13.559 -22.652 -0.436 1.00 0.00 WT1 H ATOM 12147 H2 TIP3 3324 -19.635 -2.593 -1.203 1.00 0.00 WT1 H ATOM 12148 OH2 TIP3 3325 3.535 4.881 -1.072 1.00 0.00 WT1 O ATOM 12149 H1 TIP3 3325 -5.362 -8.323 -5.852 1.00 0.00 WT1 H ATOM 12150 H2 TIP3 3325 -0.305 11.300 -5.136 1.00 0.00 WT1 H ATOM 12151 OH2 TIP3 3326 0.464 -1.962 -1.058 1.00 0.00 WT1 O ATOM 12152 H1 TIP3 3326 -19.292 12.639 3.610 1.00 0.00 WT1 H ATOM 12153 H2 TIP3 3326 -11.787 4.121 -9.457 1.00 0.00 WT1 H ATOM 12154 OH2 TIP3 3327 -1.595 -2.367 0.617 1.00 0.00 WT1 O ATOM 12155 H1 TIP3 3327 4.343 9.551 -3.609 1.00 0.00 WT1 H ATOM 12156 H2 TIP3 3327 2.442 8.896 -3.518 1.00 0.00 WT1 H ATOM 12157 OH2 TIP3 3329 -2.847 -0.111 -2.726 1.00 0.00 WT1 O ATOM 12158 H1 TIP3 3329 8.639 -4.555 -4.579 1.00 0.00 WT1 H ATOM 12159 H2 TIP3 3329 -7.807 4.449 -11.531 1.00 0.00 WT1 H ATOM 12160 OH2 TIP3 3332 -3.705 -5.164 2.267 1.00 0.00 WT1 O ATOM 12161 H1 TIP3 3332 -3.241 5.954 -3.483 1.00 0.00 WT1 H ATOM 12162 H2 TIP3 3332 -3.160 -19.526 17.718 1.00 0.00 WT1 H ATOM 12163 OH2 TIP3 3334 2.482 -7.565 4.192 1.00 0.00 WT1 O ATOM 12164 H1 TIP3 3334 2.968 -2.004 -15.192 1.00 0.00 WT1 H ATOM 12165 H2 TIP3 3334 -33.383 5.657 25.251 1.00 0.00 WT1 H ATOM 12166 OH2 TIP3 3336 5.188 1.738 -5.883 1.00 0.00 WT1 O ATOM 12167 H1 TIP3 3336 0.577 25.730 4.114 1.00 0.00 WT1 H ATOM 12168 H2 TIP3 3336 4.443 -5.739 -8.533 1.00 0.00 WT1 H ATOM 12169 OH2 TIP3 3337 3.946 -8.284 -4.896 1.00 0.00 WT1 O ATOM 12170 H1 TIP3 3337 8.332 18.423 -7.407 1.00 0.00 WT1 H ATOM 12171 H2 TIP3 3337 1.577 -15.896 2.068 1.00 0.00 WT1 H ATOM 12172 OH2 TIP3 3338 2.886 2.486 -2.900 1.00 0.00 WT1 O ATOM 12173 H1 TIP3 3338 5.910 10.079 5.501 1.00 0.00 WT1 H ATOM 12174 H2 TIP3 3338 10.084 1.219 3.379 1.00 0.00 WT1 H ATOM 12175 OH2 TIP3 3339 5.369 -0.708 -3.252 1.00 0.00 WT1 O ATOM 12176 H1 TIP3 3339 -8.365 -20.681 0.808 1.00 0.00 WT1 H ATOM 12177 H2 TIP3 3339 8.426 -5.304 1.871 1.00 0.00 WT1 H ATOM 12178 OH2 TIP3 3341 3.226 2.270 0.943 1.00 0.00 WT1 O ATOM 12179 H1 TIP3 3341 15.949 35.469 -12.762 1.00 0.00 WT1 H ATOM 12180 H2 TIP3 3341 -6.014 7.769 -6.785 1.00 0.00 WT1 H ATOM 12181 OH2 TIP3 3342 -1.777 3.487 -0.747 1.00 0.00 WT1 O ATOM 12182 H1 TIP3 3342 -0.021 -10.834 13.004 1.00 0.00 WT1 H ATOM 12183 H2 TIP3 3342 6.879 1.255 -11.010 1.00 0.00 WT1 H ATOM 12184 OH2 TIP3 3343 5.500 -5.810 -2.628 1.00 0.00 WT1 O ATOM 12185 H1 TIP3 3343 -4.003 -17.032 -14.095 1.00 0.00 WT1 H ATOM 12186 H2 TIP3 3343 8.248 13.686 -6.988 1.00 0.00 WT1 H ATOM 12187 OH2 TIP3 3344 3.808 -1.251 2.084 1.00 0.00 WT1 O ATOM 12188 H1 TIP3 3344 9.817 -5.795 -3.853 1.00 0.00 WT1 H ATOM 12189 H2 TIP3 3344 -0.050 1.408 6.033 1.00 0.00 WT1 H ATOM 12190 OH2 TIP3 3345 2.059 -0.718 7.853 1.00 0.00 WT1 O ATOM 12191 H1 TIP3 3345 -9.615 0.553 -8.150 1.00 0.00 WT1 H ATOM 12192 H2 TIP3 3345 1.727 -20.977 13.147 1.00 0.00 WT1 H ATOM 12193 OH2 TIP3 3347 10.349 -3.708 -0.631 1.00 0.00 WT1 O ATOM 12194 H1 TIP3 3347 4.082 -8.129 -3.089 1.00 0.00 WT1 H ATOM 12195 H2 TIP3 3347 -14.973 -3.166 6.836 1.00 0.00 WT1 H ATOM 12196 OH2 TIP3 3348 1.031 -7.360 -2.228 1.00 0.00 WT1 O ATOM 12197 H1 TIP3 3348 -2.168 -1.153 3.517 1.00 0.00 WT1 H ATOM 12198 H2 TIP3 3348 -0.063 -10.473 -5.648 1.00 0.00 WT1 H ATOM 12199 OH2 TIP3 3349 0.507 0.354 -2.271 1.00 0.00 WT1 O ATOM 12200 H1 TIP3 3349 3.093 -1.795 -2.247 1.00 0.00 WT1 H ATOM 12201 H2 TIP3 3349 -0.056 2.012 -3.791 1.00 0.00 WT1 H ATOM 12202 OH2 TIP3 3350 0.425 0.422 2.673 1.00 0.00 WT1 O ATOM 12203 H1 TIP3 3350 -7.877 -6.326 -4.304 1.00 0.00 WT1 H ATOM 12204 H2 TIP3 3350 9.837 2.990 -5.281 1.00 0.00 WT1 H ATOM 12205 OH2 TIP3 3355 -2.847 -2.747 0.918 1.00 0.00 WT1 O ATOM 12206 H1 TIP3 3355 1.326 2.430 13.257 1.00 0.00 WT1 H ATOM 12207 H2 TIP3 3355 -13.276 11.315 20.722 1.00 0.00 WT1 H ATOM 12208 OH2 TIP3 3356 4.231 -1.899 0.222 1.00 0.00 WT1 O ATOM 12209 H1 TIP3 3356 -19.602 -14.215 -3.838 1.00 0.00 WT1 H ATOM 12210 H2 TIP3 3356 17.453 6.391 2.112 1.00 0.00 WT1 H ATOM 12211 OH2 TIP3 3358 0.662 -0.092 -6.524 1.00 0.00 WT1 O ATOM 12212 H1 TIP3 3358 -0.136 6.229 -5.852 1.00 0.00 WT1 H ATOM 12213 H2 TIP3 3358 4.054 3.039 -15.064 1.00 0.00 WT1 H ATOM 12214 OH2 TIP3 3359 4.602 -1.255 0.787 1.00 0.00 WT1 O ATOM 12215 H1 TIP3 3359 -27.252 -19.179 -30.972 1.00 0.00 WT1 H ATOM 12216 H2 TIP3 3359 -14.474 -17.928 4.350 1.00 0.00 WT1 H ATOM 12217 OH2 TIP3 3360 -4.129 0.781 2.348 1.00 0.00 WT1 O ATOM 12218 H1 TIP3 3360 -35.649 -2.881 2.449 1.00 0.00 WT1 H ATOM 12219 H2 TIP3 3360 4.625 1.949 4.208 1.00 0.00 WT1 H ATOM 12220 OH2 TIP3 3361 0.473 6.017 4.318 1.00 0.00 WT1 O ATOM 12221 H1 TIP3 3361 -13.333 5.720 -18.281 1.00 0.00 WT1 H ATOM 12222 H2 TIP3 3361 -4.927 3.411 -11.228 1.00 0.00 WT1 H ATOM 12223 OH2 TIP3 3362 1.068 -0.466 -1.520 1.00 0.00 WT1 O ATOM 12224 H1 TIP3 3362 -0.261 -0.630 -3.353 1.00 0.00 WT1 H ATOM 12225 H2 TIP3 3362 19.632 -1.776 0.855 1.00 0.00 WT1 H ATOM 12226 OH2 TIP3 3363 6.891 -4.453 3.651 1.00 0.00 WT1 O ATOM 12227 H1 TIP3 3363 2.206 -17.992 1.263 1.00 0.00 WT1 H ATOM 12228 H2 TIP3 3363 -3.682 5.277 7.834 1.00 0.00 WT1 H ATOM 12229 OH2 TIP3 3364 0.954 -3.323 -3.463 1.00 0.00 WT1 O ATOM 12230 H1 TIP3 3364 -7.186 -7.509 -2.663 1.00 0.00 WT1 H ATOM 12231 H2 TIP3 3364 4.575 0.238 -2.032 1.00 0.00 WT1 H ATOM 12232 OH2 TIP3 3365 3.943 8.570 -0.248 1.00 0.00 WT1 O ATOM 12233 H1 TIP3 3365 0.960 -8.194 2.082 1.00 0.00 WT1 H ATOM 12234 H2 TIP3 3365 -9.308 -18.951 15.853 1.00 0.00 WT1 H ATOM 12235 OH2 TIP3 3366 6.288 1.538 -0.541 1.00 0.00 WT1 O ATOM 12236 H1 TIP3 3366 7.578 1.867 -1.867 1.00 0.00 WT1 H ATOM 12237 H2 TIP3 3366 -1.985 5.425 4.964 1.00 0.00 WT1 H ATOM 12238 OH2 TIP3 3367 -3.793 7.775 0.836 1.00 0.00 WT1 O ATOM 12239 H1 TIP3 3367 -4.413 -5.281 -35.251 1.00 0.00 WT1 H ATOM 12240 H2 TIP3 3367 3.293 -17.234 20.965 1.00 0.00 WT1 H ATOM 12241 OH2 TIP3 3368 -0.585 0.338 5.005 1.00 0.00 WT1 O ATOM 12242 H1 TIP3 3368 3.199 16.257 -4.916 1.00 0.00 WT1 H ATOM 12243 H2 TIP3 3368 5.800 -14.295 -3.185 1.00 0.00 WT1 H ATOM 12244 OH2 TIP3 3370 -4.727 -1.806 6.716 1.00 0.00 WT1 O ATOM 12245 H1 TIP3 3370 8.254 -2.872 19.824 1.00 0.00 WT1 H ATOM 12246 H2 TIP3 3370 -8.843 2.108 1.473 1.00 0.00 WT1 H ATOM 12247 OH2 TIP3 3371 -4.220 3.854 -0.515 1.00 0.00 WT1 O ATOM 12248 H1 TIP3 3371 -5.038 12.702 -0.328 1.00 0.00 WT1 H ATOM 12249 H2 TIP3 3371 -2.185 -9.153 -1.997 1.00 0.00 WT1 H ATOM 12250 OH2 TIP3 3373 -4.470 3.383 -4.032 1.00 0.00 WT1 O ATOM 12251 H1 TIP3 3373 -2.052 7.094 3.423 1.00 0.00 WT1 H ATOM 12252 H2 TIP3 3373 9.051 6.459 -4.685 1.00 0.00 WT1 H ATOM 12253 OH2 TIP3 3377 10.126 2.894 4.073 1.00 0.00 WT1 O ATOM 12254 H1 TIP3 3377 9.478 2.185 2.014 1.00 0.00 WT1 H ATOM 12255 H2 TIP3 3377 -4.027 -0.641 1.351 1.00 0.00 WT1 H ATOM 12256 OH2 TIP3 3379 -1.248 0.495 -1.733 1.00 0.00 WT1 O ATOM 12257 H1 TIP3 3379 -1.350 -3.602 -19.885 1.00 0.00 WT1 H ATOM 12258 H2 TIP3 3379 11.928 -19.700 21.207 1.00 0.00 WT1 H ATOM 12259 OH2 TIP3 3380 0.033 2.611 2.627 1.00 0.00 WT1 O ATOM 12260 H1 TIP3 3380 1.700 -4.135 11.467 1.00 0.00 WT1 H ATOM 12261 H2 TIP3 3380 -2.119 4.892 -3.133 1.00 0.00 WT1 H ATOM 12262 OH2 TIP3 3381 2.938 1.334 -6.338 1.00 0.00 WT1 O ATOM 12263 H1 TIP3 3381 1.928 -14.073 -25.200 1.00 0.00 WT1 H ATOM 12264 H2 TIP3 3381 14.856 -14.962 -13.387 1.00 0.00 WT1 H ATOM 12265 OH2 TIP3 3382 3.538 3.448 3.884 1.00 0.00 WT1 O ATOM 12266 H1 TIP3 3382 0.080 -4.759 25.692 1.00 0.00 WT1 H ATOM 12267 H2 TIP3 3382 37.316 1.365 4.553 1.00 0.00 WT1 H ATOM 12268 OH2 TIP3 3383 4.148 -4.319 -1.153 1.00 0.00 WT1 O ATOM 12269 H1 TIP3 3383 2.718 0.745 2.346 1.00 0.00 WT1 H ATOM 12270 H2 TIP3 3383 9.813 -14.611 -5.819 1.00 0.00 WT1 H ATOM 12271 OH2 TIP3 3384 5.700 4.055 -5.400 1.00 0.00 WT1 O ATOM 12272 H1 TIP3 3384 6.807 2.360 -9.033 1.00 0.00 WT1 H ATOM 12273 H2 TIP3 3384 5.156 8.794 -8.430 1.00 0.00 WT1 H ATOM 12274 OH2 TIP3 3385 1.163 -0.764 1.009 1.00 0.00 WT1 O ATOM 12275 H1 TIP3 3385 7.645 -7.614 18.999 1.00 0.00 WT1 H ATOM 12276 H2 TIP3 3385 7.782 6.424 -15.312 1.00 0.00 WT1 H ATOM 12277 OH2 TIP3 3386 2.985 -1.262 -2.640 1.00 0.00 WT1 O ATOM 12278 H1 TIP3 3386 7.356 -10.703 6.538 1.00 0.00 WT1 H ATOM 12279 H2 TIP3 3386 -14.705 1.068 5.638 1.00 0.00 WT1 H ATOM 12280 OH2 TIP3 3387 -0.440 -2.787 -0.612 1.00 0.00 WT1 O ATOM 12281 H1 TIP3 3387 12.553 16.062 7.090 1.00 0.00 WT1 H ATOM 12282 H2 TIP3 3387 15.002 -3.289 5.331 1.00 0.00 WT1 H ATOM 12283 OH2 TIP3 3388 5.013 -2.116 -1.834 1.00 0.00 WT1 O ATOM 12284 H1 TIP3 3388 -4.328 -9.405 7.299 1.00 0.00 WT1 H ATOM 12285 H2 TIP3 3388 -1.035 -9.222 -13.249 1.00 0.00 WT1 H ATOM 12286 OH2 TIP3 3389 -1.001 0.201 -0.236 1.00 0.00 WT1 O ATOM 12287 H1 TIP3 3389 10.156 12.448 -19.470 1.00 0.00 WT1 H ATOM 12288 H2 TIP3 3389 -1.629 -22.316 -8.732 1.00 0.00 WT1 H ATOM 12289 OH2 TIP3 3390 -4.605 6.801 -4.055 1.00 0.00 WT1 O ATOM 12290 H1 TIP3 3390 0.586 -5.125 2.237 1.00 0.00 WT1 H ATOM 12291 H2 TIP3 3390 -8.310 13.962 -10.892 1.00 0.00 WT1 H ATOM 12292 OH2 TIP3 3393 3.028 4.356 -5.671 1.00 0.00 WT1 O ATOM 12293 H1 TIP3 3393 5.359 13.385 6.744 1.00 0.00 WT1 H ATOM 12294 H2 TIP3 3393 4.511 17.109 15.393 1.00 0.00 WT1 H ATOM 12295 OH2 TIP3 3398 -3.859 -3.443 -0.836 1.00 0.00 WT1 O ATOM 12296 H1 TIP3 3398 -12.356 5.537 5.611 1.00 0.00 WT1 H ATOM 12297 H2 TIP3 3398 15.986 6.277 -7.061 1.00 0.00 WT1 H ATOM 12298 OH2 TIP3 3401 2.063 5.183 0.894 1.00 0.00 WT1 O ATOM 12299 H1 TIP3 3401 3.049 6.933 -0.759 1.00 0.00 WT1 H ATOM 12300 H2 TIP3 3401 -3.211 -14.742 -7.197 1.00 0.00 WT1 H ATOM 12301 OH2 TIP3 3402 -1.146 -2.456 -0.701 1.00 0.00 WT1 O ATOM 12302 H1 TIP3 3402 2.866 2.008 24.863 1.00 0.00 WT1 H ATOM 12303 H2 TIP3 3402 -22.013 -2.927 5.337 1.00 0.00 WT1 H ATOM 12304 OH2 TIP3 3404 4.971 -4.032 -1.184 1.00 0.00 WT1 O ATOM 12305 H1 TIP3 3404 -11.445 6.455 3.172 1.00 0.00 WT1 H ATOM 12306 H2 TIP3 3404 -7.420 -1.023 12.463 1.00 0.00 WT1 H ATOM 12307 OH2 TIP3 3405 -3.415 -5.144 -3.102 1.00 0.00 WT1 O ATOM 12308 H1 TIP3 3405 -21.113 9.241 6.423 1.00 0.00 WT1 H ATOM 12309 H2 TIP3 3405 6.979 2.701 -5.601 1.00 0.00 WT1 H ATOM 12310 OH2 TIP3 3406 1.060 -1.829 3.794 1.00 0.00 WT1 O ATOM 12311 H1 TIP3 3406 19.135 9.455 1.266 1.00 0.00 WT1 H ATOM 12312 H2 TIP3 3406 -3.296 -12.170 7.292 1.00 0.00 WT1 H ATOM 12313 OH2 TIP3 3407 -4.677 6.733 3.911 1.00 0.00 WT1 O ATOM 12314 H1 TIP3 3407 17.023 5.168 7.577 1.00 0.00 WT1 H ATOM 12315 H2 TIP3 3407 8.637 -1.288 -4.415 1.00 0.00 WT1 H ATOM 12316 OH2 TIP3 3408 -0.412 7.954 -0.821 1.00 0.00 WT1 O ATOM 12317 H1 TIP3 3408 3.816 -0.676 -9.752 1.00 0.00 WT1 H ATOM 12318 H2 TIP3 3408 -11.483 1.657 4.832 1.00 0.00 WT1 H ATOM 12319 OH2 TIP3 3409 6.217 0.373 -6.536 1.00 0.00 WT1 O ATOM 12320 H1 TIP3 3409 6.292 0.959 -4.604 1.00 0.00 WT1 H ATOM 12321 H2 TIP3 3409 -4.867 -0.674 -6.482 1.00 0.00 WT1 H ATOM 12322 OH2 TIP3 3410 1.631 -0.574 2.941 1.00 0.00 WT1 O ATOM 12323 H1 TIP3 3410 13.834 15.941 -10.767 1.00 0.00 WT1 H ATOM 12324 H2 TIP3 3410 20.665 21.827 -12.280 1.00 0.00 WT1 H ATOM 12325 OH2 TIP3 3411 -3.512 -0.588 -3.466 1.00 0.00 WT1 O ATOM 12326 H1 TIP3 3411 -2.052 1.042 0.156 1.00 0.00 WT1 H ATOM 12327 H2 TIP3 3411 -1.383 -11.953 -3.603 1.00 0.00 WT1 H ATOM 12328 OH2 TIP3 3412 -0.360 2.119 2.819 1.00 0.00 WT1 O ATOM 12329 H1 TIP3 3412 22.338 3.617 -1.096 1.00 0.00 WT1 H ATOM 12330 H2 TIP3 3412 19.263 28.068 19.014 1.00 0.00 WT1 H ATOM 12331 OH2 TIP3 3420 1.223 -10.613 -6.699 1.00 0.00 WT1 O ATOM 12332 H1 TIP3 3420 9.755 -1.320 -6.103 1.00 0.00 WT1 H ATOM 12333 H2 TIP3 3420 -4.525 -14.294 -11.853 1.00 0.00 WT1 H ATOM 12334 OH2 TIP3 3421 -0.378 -0.973 -1.622 1.00 0.00 WT1 O ATOM 12335 H1 TIP3 3421 -2.778 -22.885 0.164 1.00 0.00 WT1 H ATOM 12336 H2 TIP3 3421 4.962 -6.229 -2.802 1.00 0.00 WT1 H ATOM 12337 OH2 TIP3 3422 2.730 -2.463 1.943 1.00 0.00 WT1 O ATOM 12338 H1 TIP3 3422 8.990 -10.457 -3.418 1.00 0.00 WT1 H ATOM 12339 H2 TIP3 3422 0.714 1.745 1.921 1.00 0.00 WT1 H ATOM 12340 OH2 TIP3 3423 -0.607 -5.106 2.662 1.00 0.00 WT1 O ATOM 12341 H1 TIP3 3423 -17.687 -28.652 -11.779 1.00 0.00 WT1 H ATOM 12342 H2 TIP3 3423 -5.822 -16.669 -9.561 1.00 0.00 WT1 H ATOM 12343 OH2 TIP3 3424 2.118 -2.446 1.134 1.00 0.00 WT1 O ATOM 12344 H1 TIP3 3424 0.276 -1.958 -14.363 1.00 0.00 WT1 H ATOM 12345 H2 TIP3 3424 5.283 3.340 -15.978 1.00 0.00 WT1 H ATOM 12346 OH2 TIP3 3425 -1.888 -0.072 -7.234 1.00 0.00 WT1 O ATOM 12347 H1 TIP3 3425 -9.996 -2.843 -9.378 1.00 0.00 WT1 H ATOM 12348 H2 TIP3 3425 -19.077 -5.527 -4.033 1.00 0.00 WT1 H ATOM 12349 OH2 TIP3 3426 2.287 1.454 1.339 1.00 0.00 WT1 O ATOM 12350 H1 TIP3 3426 2.767 19.542 -4.348 1.00 0.00 WT1 H ATOM 12351 H2 TIP3 3426 6.136 10.398 1.471 1.00 0.00 WT1 H ATOM 12352 OH2 TIP3 3427 -5.398 2.053 2.530 1.00 0.00 WT1 O ATOM 12353 H1 TIP3 3427 1.674 10.004 18.439 1.00 0.00 WT1 H ATOM 12354 H2 TIP3 3427 8.680 0.472 -8.697 1.00 0.00 WT1 H ATOM 12355 OH2 TIP3 3428 -5.767 -2.906 2.181 1.00 0.00 WT1 O ATOM 12356 H1 TIP3 3428 -29.654 -5.256 7.763 1.00 0.00 WT1 H ATOM 12357 H2 TIP3 3428 -27.076 -9.320 6.438 1.00 0.00 WT1 H ATOM 12358 OH2 TIP3 3429 3.835 -2.255 0.589 1.00 0.00 WT1 O ATOM 12359 H1 TIP3 3429 -17.821 -5.127 -1.357 1.00 0.00 WT1 H ATOM 12360 H2 TIP3 3429 10.377 0.628 -10.552 1.00 0.00 WT1 H ATOM 12361 OH2 TIP3 3430 3.988 -2.515 2.875 1.00 0.00 WT1 O ATOM 12362 H1 TIP3 3430 -5.107 -5.260 -19.907 1.00 0.00 WT1 H ATOM 12363 H2 TIP3 3430 3.350 9.898 11.450 1.00 0.00 WT1 H ATOM 12364 OH2 TIP3 3431 -1.367 10.578 -4.406 1.00 0.00 WT1 O ATOM 12365 H1 TIP3 3431 5.663 1.289 -7.634 1.00 0.00 WT1 H ATOM 12366 H2 TIP3 3431 -9.997 5.310 2.124 1.00 0.00 WT1 H ATOM 12367 OH2 TIP3 3432 5.808 4.714 -1.546 1.00 0.00 WT1 O ATOM 12368 H1 TIP3 3432 -9.372 8.920 22.098 1.00 0.00 WT1 H ATOM 12369 H2 TIP3 3432 -11.854 -7.357 -19.344 1.00 0.00 WT1 H ATOM 12370 OH2 TIP3 3433 -1.093 -2.098 1.950 1.00 0.00 WT1 O ATOM 12371 H1 TIP3 3433 -1.114 -12.171 4.667 1.00 0.00 WT1 H ATOM 12372 H2 TIP3 3433 7.299 -3.412 4.874 1.00 0.00 WT1 H ATOM 12373 OH2 TIP3 3434 -3.341 1.589 -6.904 1.00 0.00 WT1 O ATOM 12374 H1 TIP3 3434 13.354 17.801 -0.334 1.00 0.00 WT1 H ATOM 12375 H2 TIP3 3434 6.367 -1.742 -14.010 1.00 0.00 WT1 H ATOM 12376 OH2 TIP3 3436 -1.510 -4.043 6.872 1.00 0.00 WT1 O ATOM 12377 H1 TIP3 3436 -9.807 13.570 7.750 1.00 0.00 WT1 H ATOM 12378 H2 TIP3 3436 1.485 1.107 5.366 1.00 0.00 WT1 H ATOM 12379 OH2 TIP3 3437 -5.978 -7.542 2.162 1.00 0.00 WT1 O ATOM 12380 H1 TIP3 3437 -6.304 -0.604 0.957 1.00 0.00 WT1 H ATOM 12381 H2 TIP3 3437 -9.582 -2.050 -1.086 1.00 0.00 WT1 H ATOM 12382 OH2 TIP3 3438 2.605 -0.787 -0.815 1.00 0.00 WT1 O ATOM 12383 H1 TIP3 3438 -5.681 6.670 8.056 1.00 0.00 WT1 H ATOM 12384 H2 TIP3 3438 -19.777 35.511 -37.051 1.00 0.00 WT1 H ATOM 12385 OH2 TIP3 3439 -1.270 1.625 4.270 1.00 0.00 WT1 O ATOM 12386 H1 TIP3 3439 -3.321 0.952 0.049 1.00 0.00 WT1 H ATOM 12387 H2 TIP3 3439 7.537 -6.089 7.979 1.00 0.00 WT1 H ATOM 12388 OH2 TIP3 3440 0.789 -3.895 5.047 1.00 0.00 WT1 O ATOM 12389 H1 TIP3 3440 -14.764 -16.906 26.083 1.00 0.00 WT1 H ATOM 12390 H2 TIP3 3440 -16.688 16.987 -3.261 1.00 0.00 WT1 H ATOM 12391 OH2 TIP3 3441 -3.044 0.971 2.336 1.00 0.00 WT1 O ATOM 12392 H1 TIP3 3441 6.325 -8.638 -11.963 1.00 0.00 WT1 H ATOM 12393 H2 TIP3 3441 -19.775 -10.905 3.632 1.00 0.00 WT1 H ATOM 12394 OH2 TIP3 3442 -2.433 4.948 0.172 1.00 0.00 WT1 O ATOM 12395 H1 TIP3 3442 -6.322 6.741 3.748 1.00 0.00 WT1 H ATOM 12396 H2 TIP3 3442 -4.809 2.020 -0.617 1.00 0.00 WT1 H ATOM 12397 OH2 TIP3 3444 1.791 -3.455 -1.408 1.00 0.00 WT1 O ATOM 12398 H1 TIP3 3444 13.072 0.282 -6.161 1.00 0.00 WT1 H ATOM 12399 H2 TIP3 3444 -15.831 24.466 -0.653 1.00 0.00 WT1 H ATOM 12400 OH2 TIP3 3445 6.385 -2.335 -5.115 1.00 0.00 WT1 O ATOM 12401 H1 TIP3 3445 27.209 5.010 21.470 1.00 0.00 WT1 H ATOM 12402 H2 TIP3 3445 -7.039 3.401 -4.404 1.00 0.00 WT1 H ATOM 12403 OH2 TIP3 3446 -4.959 1.293 4.261 1.00 0.00 WT1 O ATOM 12404 H1 TIP3 3446 -6.078 -10.455 -17.788 1.00 0.00 WT1 H ATOM 12405 H2 TIP3 3446 8.842 -7.216 4.051 1.00 0.00 WT1 H ATOM 12406 OH2 TIP3 3447 -0.702 3.088 2.501 1.00 0.00 WT1 O ATOM 12407 H1 TIP3 3447 -5.250 17.722 4.875 1.00 0.00 WT1 H ATOM 12408 H2 TIP3 3447 16.990 6.479 2.149 1.00 0.00 WT1 H ATOM 12409 OH2 TIP3 3448 7.731 3.587 1.867 1.00 0.00 WT1 O ATOM 12410 H1 TIP3 3448 9.086 12.217 6.832 1.00 0.00 WT1 H ATOM 12411 H2 TIP3 3448 -0.276 3.372 1.078 1.00 0.00 WT1 H ATOM 12412 OH2 TIP3 3449 1.349 -1.157 1.432 1.00 0.00 WT1 O ATOM 12413 H1 TIP3 3449 -0.512 14.247 6.936 1.00 0.00 WT1 H ATOM 12414 H2 TIP3 3449 -2.132 -8.994 16.255 1.00 0.00 WT1 H ATOM 12415 OH2 TIP3 3450 0.552 2.135 -1.776 1.00 0.00 WT1 O ATOM 12416 H1 TIP3 3450 14.264 2.876 27.398 1.00 0.00 WT1 H ATOM 12417 H2 TIP3 3450 -7.050 -7.563 -11.066 1.00 0.00 WT1 H ATOM 12418 OH2 TIP3 3451 1.600 -3.129 1.621 1.00 0.00 WT1 O ATOM 12419 H1 TIP3 3451 -5.577 7.950 16.320 1.00 0.00 WT1 H ATOM 12420 H2 TIP3 3451 2.394 -6.729 -1.855 1.00 0.00 WT1 H ATOM 12421 OH2 TIP3 3452 4.294 -0.753 -7.468 1.00 0.00 WT1 O ATOM 12422 H1 TIP3 3452 -1.085 6.102 -5.727 1.00 0.00 WT1 H ATOM 12423 H2 TIP3 3452 4.644 -13.608 7.318 1.00 0.00 WT1 H ATOM 12424 OH2 TIP3 3456 -7.792 -3.470 -4.552 1.00 0.00 WT1 O ATOM 12425 H1 TIP3 3456 -14.104 -16.256 16.104 1.00 0.00 WT1 H ATOM 12426 H2 TIP3 3456 14.622 12.193 -2.940 1.00 0.00 WT1 H ATOM 12427 OH2 TIP3 3459 0.582 -2.381 0.410 1.00 0.00 WT1 O ATOM 12428 H1 TIP3 3459 -5.198 -19.416 -13.819 1.00 0.00 WT1 H ATOM 12429 H2 TIP3 3459 12.056 -8.221 -9.566 1.00 0.00 WT1 H ATOM 12430 OH2 TIP3 3460 2.842 2.092 -3.661 1.00 0.00 WT1 O ATOM 12431 H1 TIP3 3460 -13.704 0.541 4.003 1.00 0.00 WT1 H ATOM 12432 H2 TIP3 3460 8.219 17.129 6.260 1.00 0.00 WT1 H ATOM 12433 OH2 TIP3 3461 -3.382 3.200 4.742 1.00 0.00 WT1 O ATOM 12434 H1 TIP3 3461 -15.700 -7.639 6.098 1.00 0.00 WT1 H ATOM 12435 H2 TIP3 3461 -22.507 -9.727 6.049 1.00 0.00 WT1 H ATOM 12436 OH2 TIP3 3462 1.446 -2.301 8.978 1.00 0.00 WT1 O ATOM 12437 H1 TIP3 3462 1.884 -6.361 5.412 1.00 0.00 WT1 H ATOM 12438 H2 TIP3 3462 3.672 -2.107 15.460 1.00 0.00 WT1 H ATOM 12439 OH2 TIP3 3465 -5.037 -2.316 -0.631 1.00 0.00 WT1 O ATOM 12440 H1 TIP3 3465 -10.453 -2.579 -15.892 1.00 0.00 WT1 H ATOM 12441 H2 TIP3 3465 -16.435 7.655 7.617 1.00 0.00 WT1 H ATOM 12442 OH2 TIP3 3466 0.853 4.563 5.756 1.00 0.00 WT1 O ATOM 12443 H1 TIP3 3466 7.342 -12.354 9.901 1.00 0.00 WT1 H ATOM 12444 H2 TIP3 3466 -18.660 -5.225 0.228 1.00 0.00 WT1 H ATOM 12445 OH2 TIP3 3467 3.217 -1.749 -1.348 1.00 0.00 WT1 O ATOM 12446 H1 TIP3 3467 8.608 1.098 -12.684 1.00 0.00 WT1 H ATOM 12447 H2 TIP3 3467 7.597 2.286 -4.552 1.00 0.00 WT1 H ATOM 12448 OH2 TIP3 3468 3.334 2.228 1.684 1.00 0.00 WT1 O ATOM 12449 H1 TIP3 3468 2.362 3.029 -2.764 1.00 0.00 WT1 H ATOM 12450 H2 TIP3 3468 3.055 1.058 3.888 1.00 0.00 WT1 H ATOM 12451 OH2 TIP3 3469 -1.971 0.005 2.357 1.00 0.00 WT1 O ATOM 12452 H1 TIP3 3469 -8.486 -4.162 0.999 1.00 0.00 WT1 H ATOM 12453 H2 TIP3 3469 14.794 -10.441 -7.288 1.00 0.00 WT1 H ATOM 12454 OH2 TIP3 3470 -1.107 5.619 -3.327 1.00 0.00 WT1 O ATOM 12455 H1 TIP3 3470 -13.808 13.412 -7.332 1.00 0.00 WT1 H ATOM 12456 H2 TIP3 3470 16.624 -3.721 3.311 1.00 0.00 WT1 H ATOM 12457 OH2 TIP3 3471 2.256 -3.083 -0.652 1.00 0.00 WT1 O ATOM 12458 H1 TIP3 3471 27.940 20.219 9.749 1.00 0.00 WT1 H ATOM 12459 H2 TIP3 3471 -14.918 -17.169 -11.003 1.00 0.00 WT1 H ATOM 12460 OH2 TIP3 3472 -2.330 -0.936 -3.889 1.00 0.00 WT1 O ATOM 12461 H1 TIP3 3472 0.377 1.895 -4.510 1.00 0.00 WT1 H ATOM 12462 H2 TIP3 3472 -3.879 -2.831 -6.101 1.00 0.00 WT1 H ATOM 12463 OH2 TIP3 3473 -2.249 -0.186 1.040 1.00 0.00 WT1 O ATOM 12464 H1 TIP3 3473 10.627 40.979 3.786 1.00 0.00 WT1 H ATOM 12465 H2 TIP3 3473 5.658 5.676 2.408 1.00 0.00 WT1 H ATOM 12466 OH2 TIP3 3474 -3.789 2.009 -2.193 1.00 0.00 WT1 O ATOM 12467 H1 TIP3 3474 0.654 10.102 -5.285 1.00 0.00 WT1 H ATOM 12468 H2 TIP3 3474 17.514 -12.292 -6.002 1.00 0.00 WT1 H ATOM 12469 OH2 TIP3 3475 1.900 0.952 0.152 1.00 0.00 WT1 O ATOM 12470 H1 TIP3 3475 -7.800 3.368 4.581 1.00 0.00 WT1 H ATOM 12471 H2 TIP3 3475 3.967 -15.154 0.708 1.00 0.00 WT1 H ATOM 12472 OH2 TIP3 3476 -1.927 -1.644 3.537 1.00 0.00 WT1 O ATOM 12473 H1 TIP3 3476 10.719 -9.865 -22.230 1.00 0.00 WT1 H ATOM 12474 H2 TIP3 3476 -21.598 -10.200 -6.452 1.00 0.00 WT1 H ATOM 12475 OH2 TIP3 3481 -1.764 5.147 -7.782 1.00 0.00 WT1 O ATOM 12476 H1 TIP3 3481 -7.138 12.309 1.782 1.00 0.00 WT1 H ATOM 12477 H2 TIP3 3481 -7.112 -6.322 -4.530 1.00 0.00 WT1 H ATOM 12478 OH2 TIP3 3482 0.476 -6.279 0.281 1.00 0.00 WT1 O ATOM 12479 H1 TIP3 3482 4.193 -11.660 7.186 1.00 0.00 WT1 H ATOM 12480 H2 TIP3 3482 -12.365 -16.584 19.096 1.00 0.00 WT1 H ATOM 12481 OH2 TIP3 3483 -2.524 4.494 0.469 1.00 0.00 WT1 O ATOM 12482 H1 TIP3 3483 -10.442 -6.158 -3.771 1.00 0.00 WT1 H ATOM 12483 H2 TIP3 3483 -0.662 4.107 -1.840 1.00 0.00 WT1 H ATOM 12484 OH2 TIP3 3484 0.895 8.824 0.021 1.00 0.00 WT1 O ATOM 12485 H1 TIP3 3484 7.990 8.613 -1.190 1.00 0.00 WT1 H ATOM 12486 H2 TIP3 3484 14.618 3.949 -4.635 1.00 0.00 WT1 H ATOM 12487 OH2 TIP3 3485 -4.886 -2.842 8.683 1.00 0.00 WT1 O ATOM 12488 H1 TIP3 3485 -5.108 -3.372 6.840 1.00 0.00 WT1 H ATOM 12489 H2 TIP3 3485 -3.094 -0.289 1.832 1.00 0.00 WT1 H ATOM 12490 OH2 TIP3 3486 4.982 4.421 0.339 1.00 0.00 WT1 O ATOM 12491 H1 TIP3 3486 -2.646 -7.699 9.565 1.00 0.00 WT1 H ATOM 12492 H2 TIP3 3486 9.183 -5.403 21.676 1.00 0.00 WT1 H ATOM 12493 OH2 TIP3 3487 -4.509 4.667 3.291 1.00 0.00 WT1 O ATOM 12494 H1 TIP3 3487 -10.567 -12.139 -2.055 1.00 0.00 WT1 H ATOM 12495 H2 TIP3 3487 3.667 8.510 5.621 1.00 0.00 WT1 H ATOM 12496 OH2 TIP3 3488 -1.415 -2.499 -3.151 1.00 0.00 WT1 O ATOM 12497 H1 TIP3 3488 1.081 5.002 8.282 1.00 0.00 WT1 H ATOM 12498 H2 TIP3 3488 4.573 -11.682 -15.207 1.00 0.00 WT1 H ATOM 12499 OH2 TIP3 3489 5.326 -0.362 -2.808 1.00 0.00 WT1 O ATOM 12500 H1 TIP3 3489 17.144 2.605 -2.215 1.00 0.00 WT1 H ATOM 12501 H2 TIP3 3489 -1.057 5.026 -8.072 1.00 0.00 WT1 H ATOM 12502 OH2 TIP3 3490 -5.968 -6.051 1.952 1.00 0.00 WT1 O ATOM 12503 H1 TIP3 3490 -7.075 -3.678 0.465 1.00 0.00 WT1 H ATOM 12504 H2 TIP3 3490 -2.979 -0.059 -12.807 1.00 0.00 WT1 H ATOM 12505 OH2 TIP3 3491 5.014 1.055 5.492 1.00 0.00 WT1 O ATOM 12506 H1 TIP3 3491 -8.498 -5.350 18.968 1.00 0.00 WT1 H ATOM 12507 H2 TIP3 3491 -7.504 14.632 3.467 1.00 0.00 WT1 H ATOM 12508 OH2 TIP3 3492 2.838 -0.848 2.145 1.00 0.00 WT1 O ATOM 12509 H1 TIP3 3492 -8.166 -20.422 32.226 1.00 0.00 WT1 H ATOM 12510 H2 TIP3 3492 -12.387 29.561 5.207 1.00 0.00 WT1 H ATOM 12511 OH2 TIP3 3494 4.973 2.768 -3.824 1.00 0.00 WT1 O ATOM 12512 H1 TIP3 3494 2.514 -6.271 -10.496 1.00 0.00 WT1 H ATOM 12513 H2 TIP3 3494 10.326 -0.808 -8.452 1.00 0.00 WT1 H ATOM 12514 OH2 TIP3 3495 3.612 0.664 -7.324 1.00 0.00 WT1 O ATOM 12515 H1 TIP3 3495 9.543 -12.923 -9.802 1.00 0.00 WT1 H ATOM 12516 H2 TIP3 3495 -13.322 -1.841 -12.449 1.00 0.00 WT1 H ATOM 12517 OH2 TIP3 3496 -0.077 -2.660 0.893 1.00 0.00 WT1 O ATOM 12518 H1 TIP3 3496 10.814 -10.762 -7.989 1.00 0.00 WT1 H ATOM 12519 H2 TIP3 3496 1.541 -9.414 4.716 1.00 0.00 WT1 H ATOM 12520 OH2 TIP3 3497 1.387 6.049 -0.651 1.00 0.00 WT1 O ATOM 12521 H1 TIP3 3497 3.685 6.780 -4.433 1.00 0.00 WT1 H ATOM 12522 H2 TIP3 3497 -21.259 13.889 -31.934 1.00 0.00 WT1 H ATOM 12523 OH2 TIP3 3501 -1.191 4.335 -7.428 1.00 0.00 WT1 O ATOM 12524 H1 TIP3 3501 15.658 -5.391 -1.807 1.00 0.00 WT1 H ATOM 12525 H2 TIP3 3501 -9.584 28.960 -8.935 1.00 0.00 WT1 H ATOM 12526 OH2 TIP3 3502 0.604 -3.606 0.862 1.00 0.00 WT1 O ATOM 12527 H1 TIP3 3502 6.236 -10.142 -3.960 1.00 0.00 WT1 H ATOM 12528 H2 TIP3 3502 -6.325 17.850 -6.245 1.00 0.00 WT1 H ATOM 12529 OH2 TIP3 3504 -1.259 3.024 -5.051 1.00 0.00 WT1 O ATOM 12530 H1 TIP3 3504 2.493 -0.252 9.729 1.00 0.00 WT1 H ATOM 12531 H2 TIP3 3504 -6.107 3.258 -16.992 1.00 0.00 WT1 H ATOM 12532 OH2 TIP3 3506 -3.558 4.375 -7.660 1.00 0.00 WT1 O ATOM 12533 H1 TIP3 3506 -4.342 -5.072 -1.817 1.00 0.00 WT1 H ATOM 12534 H2 TIP3 3506 -5.380 2.677 -5.180 1.00 0.00 WT1 H ATOM 12535 OH2 TIP3 3507 0.166 2.327 -0.848 1.00 0.00 WT1 O ATOM 12536 H1 TIP3 3507 1.582 -14.949 -5.678 1.00 0.00 WT1 H ATOM 12537 H2 TIP3 3507 -10.758 8.927 7.634 1.00 0.00 WT1 H ATOM 12538 OH2 TIP3 3508 0.649 -2.215 2.726 1.00 0.00 WT1 O ATOM 12539 H1 TIP3 3508 17.481 -10.141 -17.180 1.00 0.00 WT1 H ATOM 12540 H2 TIP3 3508 13.679 -5.044 20.810 1.00 0.00 WT1 H ATOM 12541 OH2 TIP3 3509 1.928 -1.116 -6.269 1.00 0.00 WT1 O ATOM 12542 H1 TIP3 3509 5.521 -6.352 3.013 1.00 0.00 WT1 H ATOM 12543 H2 TIP3 3509 -16.413 -15.585 -10.322 1.00 0.00 WT1 H ATOM 12544 OH2 TIP3 3510 -5.744 4.126 9.134 1.00 0.00 WT1 O ATOM 12545 H1 TIP3 3510 14.485 -12.835 -6.735 1.00 0.00 WT1 H ATOM 12546 H2 TIP3 3510 6.317 -10.611 3.855 1.00 0.00 WT1 H ATOM 12547 OH2 TIP3 3511 0.880 3.516 -9.511 1.00 0.00 WT1 O ATOM 12548 H1 TIP3 3511 4.478 7.024 -2.161 1.00 0.00 WT1 H ATOM 12549 H2 TIP3 3511 6.949 9.011 2.647 1.00 0.00 WT1 H ATOM 12550 OH2 TIP3 3512 -3.272 8.913 -5.235 1.00 0.00 WT1 O ATOM 12551 H1 TIP3 3512 -2.836 -3.101 -9.876 1.00 0.00 WT1 H ATOM 12552 H2 TIP3 3512 0.638 32.578 6.091 1.00 0.00 WT1 H ATOM 12553 OH2 TIP3 3513 -1.960 -1.379 -2.209 1.00 0.00 WT1 O ATOM 12554 H1 TIP3 3513 -25.517 -1.565 -16.021 1.00 0.00 WT1 H ATOM 12555 H2 TIP3 3513 -9.205 -7.621 6.410 1.00 0.00 WT1 H ATOM 12556 OH2 TIP3 3514 2.987 1.501 7.912 1.00 0.00 WT1 O ATOM 12557 H1 TIP3 3514 -1.891 1.484 10.771 1.00 0.00 WT1 H ATOM 12558 H2 TIP3 3514 -1.295 11.740 -4.943 1.00 0.00 WT1 H ATOM 12559 OH2 TIP3 3515 -2.822 0.615 1.348 1.00 0.00 WT1 O ATOM 12560 H1 TIP3 3515 0.567 -0.670 -9.153 1.00 0.00 WT1 H ATOM 12561 H2 TIP3 3515 -7.407 4.095 8.286 1.00 0.00 WT1 H ATOM 12562 OH2 TIP3 3516 -2.403 0.758 -3.273 1.00 0.00 WT1 O ATOM 12563 H1 TIP3 3516 3.941 -12.553 4.429 1.00 0.00 WT1 H ATOM 12564 H2 TIP3 3516 8.769 -24.733 13.830 1.00 0.00 WT1 H ATOM 12565 OH2 TIP3 3517 -1.068 3.190 -0.879 1.00 0.00 WT1 O ATOM 12566 H1 TIP3 3517 18.286 5.731 4.447 1.00 0.00 WT1 H ATOM 12567 H2 TIP3 3517 10.579 7.883 6.991 1.00 0.00 WT1 H ATOM 12568 OH2 TIP3 3518 1.757 -0.110 3.712 1.00 0.00 WT1 O ATOM 12569 H1 TIP3 3518 -9.357 32.872 0.942 1.00 0.00 WT1 H ATOM 12570 H2 TIP3 3518 11.948 -11.770 6.976 1.00 0.00 WT1 H ATOM 12571 OH2 TIP3 3519 1.499 0.000 2.040 1.00 0.00 WT1 O ATOM 12572 H1 TIP3 3519 4.062 11.202 3.353 1.00 0.00 WT1 H ATOM 12573 H2 TIP3 3519 8.571 -2.300 -7.647 1.00 0.00 WT1 H ATOM 12574 OH2 TIP3 3520 -3.337 3.092 1.816 1.00 0.00 WT1 O ATOM 12575 H1 TIP3 3520 -8.878 12.444 7.136 1.00 0.00 WT1 H ATOM 12576 H2 TIP3 3520 -4.258 -3.677 -14.792 1.00 0.00 WT1 H ATOM 12577 OH2 TIP3 3521 0.640 5.154 -0.850 1.00 0.00 WT1 O ATOM 12578 H1 TIP3 3521 6.522 -0.303 -13.366 1.00 0.00 WT1 H ATOM 12579 H2 TIP3 3521 4.401 0.426 -14.370 1.00 0.00 WT1 H ATOM 12580 OH2 TIP3 3522 -8.258 2.052 1.813 1.00 0.00 WT1 O ATOM 12581 H1 TIP3 3522 2.857 11.036 5.712 1.00 0.00 WT1 H ATOM 12582 H2 TIP3 3522 -5.267 20.785 -34.846 1.00 0.00 WT1 H ATOM 12583 OH2 TIP3 3523 4.337 -2.185 1.706 1.00 0.00 WT1 O ATOM 12584 H1 TIP3 3523 8.297 -11.912 -1.855 1.00 0.00 WT1 H ATOM 12585 H2 TIP3 3523 18.497 -11.189 -4.787 1.00 0.00 WT1 H ATOM 12586 OH2 TIP3 3524 -3.416 3.254 -1.513 1.00 0.00 WT1 O ATOM 12587 H1 TIP3 3524 -2.609 5.314 5.041 1.00 0.00 WT1 H ATOM 12588 H2 TIP3 3524 6.906 11.031 8.946 1.00 0.00 WT1 H ATOM 12589 OH2 TIP3 3526 -1.304 6.285 1.367 1.00 0.00 WT1 O ATOM 12590 H1 TIP3 3526 -6.108 -2.975 10.775 1.00 0.00 WT1 H ATOM 12591 H2 TIP3 3526 13.908 -10.273 0.388 1.00 0.00 WT1 H ATOM 12592 OH2 TIP3 3527 -0.281 1.278 6.574 1.00 0.00 WT1 O ATOM 12593 H1 TIP3 3527 -9.215 4.195 9.210 1.00 0.00 WT1 H ATOM 12594 H2 TIP3 3527 -12.838 12.995 -13.884 1.00 0.00 WT1 H ATOM 12595 OH2 TIP3 3528 -1.103 -2.267 8.007 1.00 0.00 WT1 O ATOM 12596 H1 TIP3 3528 0.487 2.171 8.105 1.00 0.00 WT1 H ATOM 12597 H2 TIP3 3528 7.437 -16.087 -3.374 1.00 0.00 WT1 H ATOM 12598 OH2 TIP3 3529 -0.802 5.814 -4.851 1.00 0.00 WT1 O ATOM 12599 H1 TIP3 3529 17.374 11.882 6.655 1.00 0.00 WT1 H ATOM 12600 H2 TIP3 3529 -4.564 17.055 14.586 1.00 0.00 WT1 H ATOM 12601 OH2 TIP3 3530 -0.427 -2.221 -3.263 1.00 0.00 WT1 O ATOM 12602 H1 TIP3 3530 6.306 -8.767 7.223 1.00 0.00 WT1 H ATOM 12603 H2 TIP3 3530 5.993 -8.290 9.669 1.00 0.00 WT1 H ATOM 12604 OH2 TIP3 3531 -6.418 -1.033 3.251 1.00 0.00 WT1 O ATOM 12605 H1 TIP3 3531 1.729 -0.801 12.514 1.00 0.00 WT1 H ATOM 12606 H2 TIP3 3531 12.680 2.656 13.545 1.00 0.00 WT1 H ATOM 12607 OH2 TIP3 3533 -3.750 3.936 -3.535 1.00 0.00 WT1 O ATOM 12608 H1 TIP3 3533 5.224 -5.476 -7.752 1.00 0.00 WT1 H ATOM 12609 H2 TIP3 3533 -24.417 9.749 7.340 1.00 0.00 WT1 H ATOM 12610 OH2 TIP3 3534 -0.777 -4.737 -1.691 1.00 0.00 WT1 O ATOM 12611 H1 TIP3 3534 -23.452 -18.811 8.383 1.00 0.00 WT1 H ATOM 12612 H2 TIP3 3534 17.757 -4.014 3.586 1.00 0.00 WT1 H ATOM 12613 OH2 TIP3 3535 5.942 5.296 -0.090 1.00 0.00 WT1 O ATOM 12614 H1 TIP3 3535 17.251 -9.259 -1.439 1.00 0.00 WT1 H ATOM 12615 H2 TIP3 3535 -0.242 -6.476 34.673 1.00 0.00 WT1 H ATOM 12616 OH2 TIP3 3536 -4.267 -6.536 2.085 1.00 0.00 WT1 O ATOM 12617 H1 TIP3 3536 -9.832 -20.044 -5.372 1.00 0.00 WT1 H ATOM 12618 H2 TIP3 3536 -11.364 -13.073 2.950 1.00 0.00 WT1 H ATOM 12619 OH2 TIP3 3537 -0.208 -2.414 -2.814 1.00 0.00 WT1 O ATOM 12620 H1 TIP3 3537 10.277 -2.393 -1.277 1.00 0.00 WT1 H ATOM 12621 H2 TIP3 3537 -31.464 -2.799 2.667 1.00 0.00 WT1 H ATOM 12622 OH2 TIP3 3538 1.820 5.801 -4.932 1.00 0.00 WT1 O ATOM 12623 H1 TIP3 3538 23.589 -20.222 15.354 1.00 0.00 WT1 H ATOM 12624 H2 TIP3 3538 -3.189 31.369 27.696 1.00 0.00 WT1 H ATOM 12625 OH2 TIP3 3539 -5.146 -7.406 9.419 1.00 0.00 WT1 O ATOM 12626 H1 TIP3 3539 17.740 -19.417 5.431 1.00 0.00 WT1 H ATOM 12627 H2 TIP3 3539 -0.662 -17.890 -3.923 1.00 0.00 WT1 H ATOM 12628 OH2 TIP3 3543 -7.035 -2.280 -2.792 1.00 0.00 WT1 O ATOM 12629 H1 TIP3 3543 -9.332 -13.981 6.715 1.00 0.00 WT1 H ATOM 12630 H2 TIP3 3543 -6.343 3.997 6.943 1.00 0.00 WT1 H ATOM 12631 OH2 TIP3 3544 -1.273 -2.145 -1.810 1.00 0.00 WT1 O ATOM 12632 H1 TIP3 3544 -7.333 -5.638 30.764 1.00 0.00 WT1 H ATOM 12633 H2 TIP3 3544 -1.436 -7.253 -12.229 1.00 0.00 WT1 H ATOM 12634 OH2 TIP3 3545 5.344 1.465 3.979 1.00 0.00 WT1 O ATOM 12635 H1 TIP3 3545 16.719 17.672 10.253 1.00 0.00 WT1 H ATOM 12636 H2 TIP3 3545 6.992 7.773 -12.080 1.00 0.00 WT1 H ATOM 12637 OH2 TIP3 3546 -4.381 2.553 -4.979 1.00 0.00 WT1 O ATOM 12638 H1 TIP3 3546 -0.678 -6.204 -8.548 1.00 0.00 WT1 H ATOM 12639 H2 TIP3 3546 -19.480 -27.016 0.816 1.00 0.00 WT1 H ATOM 12640 OH2 TIP3 3548 -1.503 3.851 1.249 1.00 0.00 WT1 O ATOM 12641 H1 TIP3 3548 -5.223 -2.029 4.474 1.00 0.00 WT1 H ATOM 12642 H2 TIP3 3548 -2.961 9.633 9.319 1.00 0.00 WT1 H ATOM 12643 OH2 TIP3 3549 -0.760 -7.046 -0.563 1.00 0.00 WT1 O ATOM 12644 H1 TIP3 3549 -8.231 -8.654 11.647 1.00 0.00 WT1 H ATOM 12645 H2 TIP3 3549 1.891 -4.001 -13.328 1.00 0.00 WT1 H ATOM 12646 OH2 TIP3 3550 2.171 5.089 3.088 1.00 0.00 WT1 O ATOM 12647 H1 TIP3 3550 4.597 6.662 1.694 1.00 0.00 WT1 H ATOM 12648 H2 TIP3 3550 -0.732 5.556 4.217 1.00 0.00 WT1 H ATOM 12649 OH2 TIP3 3551 2.017 -3.325 -3.203 1.00 0.00 WT1 O ATOM 12650 H1 TIP3 3551 20.823 9.294 10.221 1.00 0.00 WT1 H ATOM 12651 H2 TIP3 3551 9.769 7.670 14.082 1.00 0.00 WT1 H ATOM 12652 OH2 TIP3 3552 -3.035 -1.126 4.671 1.00 0.00 WT1 O ATOM 12653 H1 TIP3 3552 -10.768 -12.308 8.230 1.00 0.00 WT1 H ATOM 12654 H2 TIP3 3552 -5.573 -3.121 -4.273 1.00 0.00 WT1 H ATOM 12655 OH2 TIP3 3554 -6.816 1.731 -5.868 1.00 0.00 WT1 O ATOM 12656 H1 TIP3 3554 -8.574 3.517 -5.066 1.00 0.00 WT1 H ATOM 12657 H2 TIP3 3554 -0.126 -3.853 -5.604 1.00 0.00 WT1 H ATOM 12658 OH2 TIP3 3555 -0.016 -1.490 -1.418 1.00 0.00 WT1 O ATOM 12659 H1 TIP3 3555 7.056 5.170 2.003 1.00 0.00 WT1 H ATOM 12660 H2 TIP3 3555 12.307 -15.723 7.959 1.00 0.00 WT1 H ATOM 12661 OH2 TIP3 3556 1.674 6.150 3.051 1.00 0.00 WT1 O ATOM 12662 H1 TIP3 3556 1.495 23.228 -11.461 1.00 0.00 WT1 H ATOM 12663 H2 TIP3 3556 19.098 -13.435 -8.099 1.00 0.00 WT1 H ATOM 12664 OH2 TIP3 3557 -6.771 -0.789 3.406 1.00 0.00 WT1 O ATOM 12665 H1 TIP3 3557 2.659 -9.988 8.358 1.00 0.00 WT1 H ATOM 12666 H2 TIP3 3557 15.838 10.029 29.485 1.00 0.00 WT1 H ATOM 12667 OH2 TIP3 3558 -6.010 1.703 2.752 1.00 0.00 WT1 O ATOM 12668 H1 TIP3 3558 33.053 27.599 15.434 1.00 0.00 WT1 H ATOM 12669 H2 TIP3 3558 -8.320 -3.111 1.294 1.00 0.00 WT1 H ATOM 12670 OH2 TIP3 3559 -1.704 4.714 1.447 1.00 0.00 WT1 O ATOM 12671 H1 TIP3 3559 15.631 17.465 -30.844 1.00 0.00 WT1 H ATOM 12672 H2 TIP3 3559 7.254 11.565 -17.698 1.00 0.00 WT1 H ATOM 12673 OH2 TIP3 3560 1.716 3.073 5.236 1.00 0.00 WT1 O ATOM 12674 H1 TIP3 3560 -9.142 -1.634 10.250 1.00 0.00 WT1 H ATOM 12675 H2 TIP3 3560 -0.387 -0.610 28.855 1.00 0.00 WT1 H ATOM 12676 OH2 TIP3 3561 -3.290 3.955 7.313 1.00 0.00 WT1 O ATOM 12677 H1 TIP3 3561 22.966 12.344 -11.013 1.00 0.00 WT1 H ATOM 12678 H2 TIP3 3561 -13.019 -2.901 -13.428 1.00 0.00 WT1 H ATOM 12679 OH2 TIP3 3562 2.515 4.757 1.905 1.00 0.00 WT1 O ATOM 12680 H1 TIP3 3562 5.986 -9.766 -8.006 1.00 0.00 WT1 H ATOM 12681 H2 TIP3 3562 0.387 32.056 2.507 1.00 0.00 WT1 H ATOM 12682 OH2 TIP3 3563 -5.687 -2.001 -5.469 1.00 0.00 WT1 O ATOM 12683 H1 TIP3 3563 6.623 -6.520 -6.341 1.00 0.00 WT1 H ATOM 12684 H2 TIP3 3563 0.644 4.353 -6.384 1.00 0.00 WT1 H ATOM 12685 OH2 TIP3 3564 -0.917 -2.905 4.225 1.00 0.00 WT1 O ATOM 12686 H1 TIP3 3564 13.489 1.943 -7.015 1.00 0.00 WT1 H ATOM 12687 H2 TIP3 3564 -6.530 1.595 26.861 1.00 0.00 WT1 H ATOM 12688 OH2 TIP3 3566 -5.608 -1.969 0.638 1.00 0.00 WT1 O ATOM 12689 H1 TIP3 3566 -5.255 -2.953 0.053 1.00 0.00 WT1 H ATOM 12690 H2 TIP3 3566 6.514 -9.512 -3.730 1.00 0.00 WT1 H ATOM 12691 OH2 TIP3 3567 -7.126 -4.567 2.114 1.00 0.00 WT1 O ATOM 12692 H1 TIP3 3567 -9.730 4.364 14.885 1.00 0.00 WT1 H ATOM 12693 H2 TIP3 3567 -9.497 27.560 -13.080 1.00 0.00 WT1 H ATOM 12694 OH2 TIP3 3568 -2.552 -5.340 -1.637 1.00 0.00 WT1 O ATOM 12695 H1 TIP3 3568 -37.122 -12.109 11.484 1.00 0.00 WT1 H ATOM 12696 H2 TIP3 3568 7.987 -4.795 -6.518 1.00 0.00 WT1 H ATOM 12697 OH2 TIP3 3569 1.573 6.445 5.563 1.00 0.00 WT1 O ATOM 12698 H1 TIP3 3569 -9.056 -22.680 -3.374 1.00 0.00 WT1 H ATOM 12699 H2 TIP3 3569 24.687 -22.055 -3.939 1.00 0.00 WT1 H ATOM 12700 OH2 TIP3 3570 4.173 3.321 -0.917 1.00 0.00 WT1 O ATOM 12701 H1 TIP3 3570 -1.061 5.775 -5.422 1.00 0.00 WT1 H ATOM 12702 H2 TIP3 3570 13.590 4.666 -0.241 1.00 0.00 WT1 H ATOM 12703 OH2 TIP3 3571 0.021 -2.320 3.023 1.00 0.00 WT1 O ATOM 12704 H1 TIP3 3571 -1.500 -1.630 3.925 1.00 0.00 WT1 H ATOM 12705 H2 TIP3 3571 9.178 -11.037 5.662 1.00 0.00 WT1 H ATOM 12706 OH2 TIP3 3572 4.549 -2.719 -2.178 1.00 0.00 WT1 O ATOM 12707 H1 TIP3 3572 -30.004 -6.460 4.767 1.00 0.00 WT1 H ATOM 12708 H2 TIP3 3572 -7.460 -23.028 14.611 1.00 0.00 WT1 H ATOM 12709 OH2 TIP3 3573 -0.786 1.917 -7.045 1.00 0.00 WT1 O ATOM 12710 H1 TIP3 3573 -12.544 -4.519 1.851 1.00 0.00 WT1 H ATOM 12711 H2 TIP3 3573 -5.155 4.604 -2.619 1.00 0.00 WT1 H ATOM 12712 OH2 TIP3 3574 4.737 7.237 3.732 1.00 0.00 WT1 O ATOM 12713 H1 TIP3 3574 -0.615 4.422 -14.318 1.00 0.00 WT1 H ATOM 12714 H2 TIP3 3574 6.546 -11.124 10.402 1.00 0.00 WT1 H ATOM 12715 OH2 TIP3 3575 -0.210 0.443 4.010 1.00 0.00 WT1 O ATOM 12716 H1 TIP3 3575 0.407 4.328 -4.951 1.00 0.00 WT1 H ATOM 12717 H2 TIP3 3575 4.559 10.472 8.542 1.00 0.00 WT1 H ATOM 12718 OH2 TIP3 3576 3.138 -1.465 0.779 1.00 0.00 WT1 O ATOM 12719 H1 TIP3 3576 16.331 1.460 4.925 1.00 0.00 WT1 H ATOM 12720 H2 TIP3 3576 9.984 -2.471 -1.437 1.00 0.00 WT1 H ATOM 12721 OH2 TIP3 3578 4.636 3.392 -1.667 1.00 0.00 WT1 O ATOM 12722 H1 TIP3 3578 -9.857 4.274 -13.958 1.00 0.00 WT1 H ATOM 12723 H2 TIP3 3578 11.131 3.412 4.249 1.00 0.00 WT1 H ATOM 12724 OH2 TIP3 3579 -4.879 -4.004 -8.018 1.00 0.00 WT1 O ATOM 12725 H1 TIP3 3579 -18.291 32.560 -19.672 1.00 0.00 WT1 H ATOM 12726 H2 TIP3 3579 -5.051 -18.615 7.865 1.00 0.00 WT1 H ATOM 12727 OH2 TIP3 3582 1.716 -2.409 5.197 1.00 0.00 WT1 O ATOM 12728 H1 TIP3 3582 -6.733 -26.037 16.939 1.00 0.00 WT1 H ATOM 12729 H2 TIP3 3582 5.273 24.361 0.969 1.00 0.00 WT1 H ATOM 12730 OH2 TIP3 3583 4.159 -3.627 -1.459 1.00 0.00 WT1 O ATOM 12731 H1 TIP3 3583 -1.387 -21.894 -10.099 1.00 0.00 WT1 H ATOM 12732 H2 TIP3 3583 0.130 -15.697 1.418 1.00 0.00 WT1 H ATOM 12733 OH2 TIP3 3585 1.295 -1.705 0.867 1.00 0.00 WT1 O ATOM 12734 H1 TIP3 3585 5.502 -5.183 -2.172 1.00 0.00 WT1 H ATOM 12735 H2 TIP3 3585 24.757 -11.712 -6.445 1.00 0.00 WT1 H ATOM 12736 OH2 TIP3 3586 -2.254 2.438 3.139 1.00 0.00 WT1 O ATOM 12737 H1 TIP3 3586 -8.348 1.727 6.640 1.00 0.00 WT1 H ATOM 12738 H2 TIP3 3586 13.966 7.243 8.714 1.00 0.00 WT1 H ATOM 12739 OH2 TIP3 3587 3.463 5.853 -7.173 1.00 0.00 WT1 O ATOM 12740 H1 TIP3 3587 17.106 20.559 14.182 1.00 0.00 WT1 H ATOM 12741 H2 TIP3 3587 -5.583 -6.727 -4.488 1.00 0.00 WT1 H ATOM 12742 OH2 TIP3 3588 0.198 9.560 -1.086 1.00 0.00 WT1 O ATOM 12743 H1 TIP3 3588 34.788 2.813 11.215 1.00 0.00 WT1 H ATOM 12744 H2 TIP3 3588 0.838 2.907 -4.193 1.00 0.00 WT1 H ATOM 12745 OH2 TIP3 3589 0.196 1.777 7.224 1.00 0.00 WT1 O ATOM 12746 H1 TIP3 3589 6.693 12.014 3.991 1.00 0.00 WT1 H ATOM 12747 H2 TIP3 3589 1.905 31.076 21.960 1.00 0.00 WT1 H ATOM 12748 OH2 TIP3 3590 0.353 5.236 -4.609 1.00 0.00 WT1 O ATOM 12749 H1 TIP3 3590 7.049 -3.288 -12.008 1.00 0.00 WT1 H ATOM 12750 H2 TIP3 3590 6.386 -16.026 -14.127 1.00 0.00 WT1 H ATOM 12751 OH2 TIP3 3591 -4.674 -1.345 -2.100 1.00 0.00 WT1 O ATOM 12752 H1 TIP3 3591 -9.977 -5.107 -11.339 1.00 0.00 WT1 H ATOM 12753 H2 TIP3 3591 -2.115 0.768 3.519 1.00 0.00 WT1 H ATOM 12754 OH2 TIP3 3592 -3.208 -1.722 -2.150 1.00 0.00 WT1 O ATOM 12755 H1 TIP3 3592 14.957 7.523 3.479 1.00 0.00 WT1 H ATOM 12756 H2 TIP3 3592 32.177 -4.791 26.865 1.00 0.00 WT1 H ATOM 12757 OH2 TIP3 3593 2.564 1.010 -1.496 1.00 0.00 WT1 O ATOM 12758 H1 TIP3 3593 3.185 3.562 3.860 1.00 0.00 WT1 H ATOM 12759 H2 TIP3 3593 6.731 -6.455 1.862 1.00 0.00 WT1 H ATOM 12760 OH2 TIP3 3594 2.308 5.408 -0.929 1.00 0.00 WT1 O ATOM 12761 H1 TIP3 3594 0.476 -4.873 -5.972 1.00 0.00 WT1 H ATOM 12762 H2 TIP3 3594 3.723 8.252 12.614 1.00 0.00 WT1 H ATOM 12763 OH2 TIP3 3595 2.999 5.101 -4.575 1.00 0.00 WT1 O ATOM 12764 H1 TIP3 3595 17.067 -5.597 -6.693 1.00 0.00 WT1 H ATOM 12765 H2 TIP3 3595 -11.637 -12.598 -13.258 1.00 0.00 WT1 H ATOM 12766 OH2 TIP3 3596 -2.907 -6.102 -3.910 1.00 0.00 WT1 O ATOM 12767 H1 TIP3 3596 -15.411 -1.857 -11.616 1.00 0.00 WT1 H ATOM 12768 H2 TIP3 3596 14.338 0.056 4.480 1.00 0.00 WT1 H ATOM 12769 OH2 TIP3 3597 -4.574 -1.513 -4.613 1.00 0.00 WT1 O ATOM 12770 H1 TIP3 3597 16.030 -4.810 -5.708 1.00 0.00 WT1 H ATOM 12771 H2 TIP3 3597 1.328 -1.314 5.056 1.00 0.00 WT1 H ATOM 12772 OH2 TIP3 3598 2.122 4.175 6.057 1.00 0.00 WT1 O ATOM 12773 H1 TIP3 3598 4.520 -24.881 11.766 1.00 0.00 WT1 H ATOM 12774 H2 TIP3 3598 29.309 -12.409 -1.084 1.00 0.00 WT1 H ATOM 12775 OH2 TIP3 3599 8.917 3.505 1.992 1.00 0.00 WT1 O ATOM 12776 H1 TIP3 3599 -0.827 11.241 -0.280 1.00 0.00 WT1 H ATOM 12777 H2 TIP3 3599 25.863 -0.743 -2.753 1.00 0.00 WT1 H ATOM 12778 OH2 TIP3 3602 4.402 2.374 1.011 1.00 0.00 WT1 O ATOM 12779 H1 TIP3 3602 -10.496 -5.658 9.244 1.00 0.00 WT1 H ATOM 12780 H2 TIP3 3602 2.613 1.998 1.661 1.00 0.00 WT1 H ATOM 12781 OH2 TIP3 3603 1.896 -0.560 -2.192 1.00 0.00 WT1 O ATOM 12782 H1 TIP3 3603 3.467 -0.067 -2.714 1.00 0.00 WT1 H ATOM 12783 H2 TIP3 3603 -10.021 -22.338 -5.264 1.00 0.00 WT1 H ATOM 12784 OH2 TIP3 3604 -3.654 -0.059 -1.749 1.00 0.00 WT1 O ATOM 12785 H1 TIP3 3604 -4.825 -3.618 -11.931 1.00 0.00 WT1 H ATOM 12786 H2 TIP3 3604 -7.982 -12.962 -6.152 1.00 0.00 WT1 H ATOM 12787 OH2 TIP3 3606 -0.549 -4.880 1.313 1.00 0.00 WT1 O ATOM 12788 H1 TIP3 3606 -3.544 -12.996 -14.589 1.00 0.00 WT1 H ATOM 12789 H2 TIP3 3606 -5.223 0.940 14.252 1.00 0.00 WT1 H ATOM 12790 OH2 TIP3 3607 -1.143 0.047 4.136 1.00 0.00 WT1 O ATOM 12791 H1 TIP3 3607 -18.795 -6.863 -15.429 1.00 0.00 WT1 H ATOM 12792 H2 TIP3 3607 -6.214 -1.907 -3.807 1.00 0.00 WT1 H ATOM 12793 OH2 TIP3 3608 -0.177 -1.876 -2.084 1.00 0.00 WT1 O ATOM 12794 H1 TIP3 3608 5.044 25.189 7.200 1.00 0.00 WT1 H ATOM 12795 H2 TIP3 3608 0.715 9.652 -0.545 1.00 0.00 WT1 H ATOM 12796 OH2 TIP3 3609 -2.721 1.006 -2.255 1.00 0.00 WT1 O ATOM 12797 H1 TIP3 3609 0.601 18.159 -0.780 1.00 0.00 WT1 H ATOM 12798 H2 TIP3 3609 -7.494 -20.206 -1.402 1.00 0.00 WT1 H ATOM 12799 OH2 TIP3 3610 -3.017 6.670 -0.093 1.00 0.00 WT1 O ATOM 12800 H1 TIP3 3610 1.397 13.027 1.100 1.00 0.00 WT1 H ATOM 12801 H2 TIP3 3610 -0.209 -0.519 -3.374 1.00 0.00 WT1 H ATOM 12802 OH2 TIP3 3611 0.250 -2.315 -3.252 1.00 0.00 WT1 O ATOM 12803 H1 TIP3 3611 14.018 -17.651 -11.303 1.00 0.00 WT1 H ATOM 12804 H2 TIP3 3611 18.426 10.503 16.006 1.00 0.00 WT1 H ATOM 12805 OH2 TIP3 3612 5.912 2.906 -3.018 1.00 0.00 WT1 O ATOM 12806 H1 TIP3 3612 1.052 -15.549 37.475 1.00 0.00 WT1 H ATOM 12807 H2 TIP3 3612 3.002 0.458 -14.968 1.00 0.00 WT1 H ATOM 12808 OH2 TIP3 3613 1.723 -1.870 -2.569 1.00 0.00 WT1 O ATOM 12809 H1 TIP3 3613 6.695 -9.579 5.047 1.00 0.00 WT1 H ATOM 12810 H2 TIP3 3613 4.691 8.683 3.719 1.00 0.00 WT1 H ATOM 12811 OH2 TIP3 3614 0.281 0.034 -1.281 1.00 0.00 WT1 O ATOM 12812 H1 TIP3 3614 10.089 3.760 13.293 1.00 0.00 WT1 H ATOM 12813 H2 TIP3 3614 -11.609 7.196 -3.378 1.00 0.00 WT1 H ATOM 12814 OH2 TIP3 3615 -0.675 -1.138 -2.484 1.00 0.00 WT1 O ATOM 12815 H1 TIP3 3615 -20.196 6.844 25.632 1.00 0.00 WT1 H ATOM 12816 H2 TIP3 3615 -5.130 0.938 4.447 1.00 0.00 WT1 H ATOM 12817 OH2 TIP3 3616 6.081 -2.395 1.481 1.00 0.00 WT1 O ATOM 12818 H1 TIP3 3616 6.848 -4.609 9.115 1.00 0.00 WT1 H ATOM 12819 H2 TIP3 3616 5.659 -3.915 -11.362 1.00 0.00 WT1 H ATOM 12820 OH2 TIP3 3618 -2.780 1.458 0.122 1.00 0.00 WT1 O ATOM 12821 H1 TIP3 3618 13.799 33.048 7.976 1.00 0.00 WT1 H ATOM 12822 H2 TIP3 3618 7.049 -6.885 -34.057 1.00 0.00 WT1 H ATOM 12823 OH2 TIP3 3619 -4.104 -5.487 -0.731 1.00 0.00 WT1 O ATOM 12824 H1 TIP3 3619 8.483 -1.448 -18.113 1.00 0.00 WT1 H ATOM 12825 H2 TIP3 3619 -3.921 -27.509 1.889 1.00 0.00 WT1 H ATOM 12826 OH2 TIP3 3620 7.555 5.338 3.580 1.00 0.00 WT1 O ATOM 12827 H1 TIP3 3620 3.253 -13.512 21.742 1.00 0.00 WT1 H ATOM 12828 H2 TIP3 3620 -11.164 -12.468 -19.725 1.00 0.00 WT1 H ATOM 12829 OH2 TIP3 3621 -4.756 -4.782 -2.693 1.00 0.00 WT1 O ATOM 12830 H1 TIP3 3621 14.794 4.348 -0.688 1.00 0.00 WT1 H ATOM 12831 H2 TIP3 3621 10.444 3.769 -1.631 1.00 0.00 WT1 H ATOM 12832 OH2 TIP3 3622 1.803 0.020 0.428 1.00 0.00 WT1 O ATOM 12833 H1 TIP3 3622 7.986 3.793 11.893 1.00 0.00 WT1 H ATOM 12834 H2 TIP3 3622 2.184 3.965 -10.204 1.00 0.00 WT1 H ATOM 12835 OH2 TIP3 3623 1.737 -1.742 -1.516 1.00 0.00 WT1 O ATOM 12836 H1 TIP3 3623 -7.319 28.647 -20.037 1.00 0.00 WT1 H ATOM 12837 H2 TIP3 3623 -3.303 -1.268 -0.557 1.00 0.00 WT1 H ATOM 12838 OH2 TIP3 3626 -2.565 -0.347 -2.621 1.00 0.00 WT1 O ATOM 12839 H1 TIP3 3626 -0.869 -16.982 -1.555 1.00 0.00 WT1 H ATOM 12840 H2 TIP3 3626 -1.076 14.040 -8.119 1.00 0.00 WT1 H ATOM 12841 OH2 TIP3 3627 -4.485 -3.176 -4.313 1.00 0.00 WT1 O ATOM 12842 H1 TIP3 3627 -4.872 -0.023 -0.732 1.00 0.00 WT1 H ATOM 12843 H2 TIP3 3627 -1.239 -14.692 -5.449 1.00 0.00 WT1 H ATOM 12844 OH2 TIP3 3629 -6.585 -0.625 -4.383 1.00 0.00 WT1 O ATOM 12845 H1 TIP3 3629 -8.767 -18.975 -3.001 1.00 0.00 WT1 H ATOM 12846 H2 TIP3 3629 -5.239 10.936 4.426 1.00 0.00 WT1 H ATOM 12847 OH2 TIP3 3630 2.817 1.834 5.278 1.00 0.00 WT1 O ATOM 12848 H1 TIP3 3630 29.054 -5.054 -4.603 1.00 0.00 WT1 H ATOM 12849 H2 TIP3 3630 -21.453 -1.616 4.351 1.00 0.00 WT1 H ATOM 12850 OH2 TIP3 3631 4.766 -0.466 -1.818 1.00 0.00 WT1 O ATOM 12851 H1 TIP3 3631 -8.590 10.130 -8.628 1.00 0.00 WT1 H ATOM 12852 H2 TIP3 3631 10.480 -5.430 -3.761 1.00 0.00 WT1 H ATOM 12853 OH2 TIP3 3632 -4.953 8.901 2.645 1.00 0.00 WT1 O ATOM 12854 H1 TIP3 3632 32.180 -3.068 7.194 1.00 0.00 WT1 H ATOM 12855 H2 TIP3 3632 5.745 -9.228 4.791 1.00 0.00 WT1 H ATOM 12856 OH2 TIP3 3633 1.593 -5.384 -5.988 1.00 0.00 WT1 O ATOM 12857 H1 TIP3 3633 -6.216 4.003 -8.177 1.00 0.00 WT1 H ATOM 12858 H2 TIP3 3633 -7.454 3.067 -6.276 1.00 0.00 WT1 H ATOM 12859 OH2 TIP3 3634 -0.898 3.162 -4.023 1.00 0.00 WT1 O ATOM 12860 H1 TIP3 3634 3.608 -26.239 -1.011 1.00 0.00 WT1 H ATOM 12861 H2 TIP3 3634 -0.732 -0.496 -4.947 1.00 0.00 WT1 H ATOM 12862 OH2 TIP3 3635 -1.695 -5.085 4.145 1.00 0.00 WT1 O ATOM 12863 H1 TIP3 3635 -18.683 12.323 15.441 1.00 0.00 WT1 H ATOM 12864 H2 TIP3 3635 2.593 -11.339 0.424 1.00 0.00 WT1 H ATOM 12865 OH2 TIP3 3636 -6.358 2.600 3.079 1.00 0.00 WT1 O ATOM 12866 H1 TIP3 3636 -8.422 5.704 5.025 1.00 0.00 WT1 H ATOM 12867 H2 TIP3 3636 -4.568 -2.786 0.796 1.00 0.00 WT1 H ATOM 12868 OH2 TIP3 3637 -2.289 0.607 -3.179 1.00 0.00 WT1 O ATOM 12869 H1 TIP3 3637 -0.999 -8.876 5.625 1.00 0.00 WT1 H ATOM 12870 H2 TIP3 3637 3.839 -9.597 -6.908 1.00 0.00 WT1 H ATOM 12871 OH2 TIP3 3638 -1.344 6.646 3.850 1.00 0.00 WT1 O ATOM 12872 H1 TIP3 3638 -3.720 -0.918 11.346 1.00 0.00 WT1 H ATOM 12873 H2 TIP3 3638 -5.121 2.428 -5.886 1.00 0.00 WT1 H ATOM 12874 OH2 TIP3 3639 -3.107 0.423 -4.707 1.00 0.00 WT1 O ATOM 12875 H1 TIP3 3639 -12.229 0.826 -20.093 1.00 0.00 WT1 H ATOM 12876 H2 TIP3 3639 -7.974 7.641 -14.407 1.00 0.00 WT1 H ATOM 12877 OH2 TIP3 3640 -1.571 8.305 -4.368 1.00 0.00 WT1 O ATOM 12878 H1 TIP3 3640 -18.241 -0.240 -13.644 1.00 0.00 WT1 H ATOM 12879 H2 TIP3 3640 -7.717 20.593 -6.269 1.00 0.00 WT1 H ATOM 12880 OH2 TIP3 3641 5.370 -5.663 2.071 1.00 0.00 WT1 O ATOM 12881 H1 TIP3 3641 -12.323 -10.902 8.501 1.00 0.00 WT1 H ATOM 12882 H2 TIP3 3641 9.734 8.098 15.139 1.00 0.00 WT1 H ATOM 12883 OH2 TIP3 3642 0.265 6.714 9.103 1.00 0.00 WT1 O ATOM 12884 H1 TIP3 3642 -3.195 -6.384 0.782 1.00 0.00 WT1 H ATOM 12885 H2 TIP3 3642 -18.004 -5.189 -30.270 1.00 0.00 WT1 H ATOM 12886 OH2 TIP3 3643 -2.319 1.911 -0.967 1.00 0.00 WT1 O ATOM 12887 H1 TIP3 3643 -15.463 -8.877 -7.222 1.00 0.00 WT1 H ATOM 12888 H2 TIP3 3643 -2.175 1.437 0.417 1.00 0.00 WT1 H ATOM 12889 OH2 TIP3 3646 0.670 -2.058 -1.500 1.00 0.00 WT1 O ATOM 12890 H1 TIP3 3646 3.258 -13.923 15.400 1.00 0.00 WT1 H ATOM 12891 H2 TIP3 3646 9.370 -2.178 -4.867 1.00 0.00 WT1 H ATOM 12892 OH2 TIP3 3647 -4.745 -0.364 6.283 1.00 0.00 WT1 O ATOM 12893 H1 TIP3 3647 8.585 19.343 10.695 1.00 0.00 WT1 H ATOM 12894 H2 TIP3 3647 -6.798 4.394 25.896 1.00 0.00 WT1 H ATOM 12895 OH2 TIP3 3648 -1.582 -3.754 -2.289 1.00 0.00 WT1 O ATOM 12896 H1 TIP3 3648 -5.660 0.172 -3.712 1.00 0.00 WT1 H ATOM 12897 H2 TIP3 3648 -12.362 4.034 -7.408 1.00 0.00 WT1 H ATOM 12898 OH2 TIP3 3649 -0.164 -3.271 -1.738 1.00 0.00 WT1 O ATOM 12899 H1 TIP3 3649 -9.720 -18.127 18.538 1.00 0.00 WT1 H ATOM 12900 H2 TIP3 3649 12.898 -8.994 -10.400 1.00 0.00 WT1 H ATOM 12901 OH2 TIP3 3650 -3.888 2.397 -6.006 1.00 0.00 WT1 O ATOM 12902 H1 TIP3 3650 5.620 -8.342 -8.997 1.00 0.00 WT1 H ATOM 12903 H2 TIP3 3650 -0.740 -5.144 2.979 1.00 0.00 WT1 H ATOM 12904 OH2 TIP3 3651 3.002 2.597 -5.444 1.00 0.00 WT1 O ATOM 12905 H1 TIP3 3651 -6.666 8.072 -2.268 1.00 0.00 WT1 H ATOM 12906 H2 TIP3 3651 -11.986 9.789 -7.054 1.00 0.00 WT1 H ATOM 12907 OH2 TIP3 3652 8.539 -6.029 -0.935 1.00 0.00 WT1 O ATOM 12908 H1 TIP3 3652 -2.270 3.557 -3.313 1.00 0.00 WT1 H ATOM 12909 H2 TIP3 3652 15.313 -13.972 11.167 1.00 0.00 WT1 H ATOM 12910 OH2 TIP3 3653 -5.201 -5.941 3.648 1.00 0.00 WT1 O ATOM 12911 H1 TIP3 3653 -0.496 -11.928 6.529 1.00 0.00 WT1 H ATOM 12912 H2 TIP3 3653 14.156 -0.879 -0.407 1.00 0.00 WT1 H ATOM 12913 OH2 TIP3 3654 5.695 -4.413 -2.620 1.00 0.00 WT1 O ATOM 12914 H1 TIP3 3654 7.987 -0.951 -6.458 1.00 0.00 WT1 H ATOM 12915 H2 TIP3 3654 10.017 4.986 -13.233 1.00 0.00 WT1 H ATOM 12916 OH2 TIP3 3655 -7.199 -2.529 5.847 1.00 0.00 WT1 O ATOM 12917 H1 TIP3 3655 0.162 -15.502 6.591 1.00 0.00 WT1 H ATOM 12918 H2 TIP3 3655 2.537 8.150 9.492 1.00 0.00 WT1 H ATOM 12919 OH2 TIP3 3656 5.720 1.963 1.520 1.00 0.00 WT1 O ATOM 12920 H1 TIP3 3656 13.415 -16.474 -10.631 1.00 0.00 WT1 H ATOM 12921 H2 TIP3 3656 5.633 -5.580 24.202 1.00 0.00 WT1 H ATOM 12922 OH2 TIP3 3657 3.348 -0.731 -6.298 1.00 0.00 WT1 O ATOM 12923 H1 TIP3 3657 -14.572 11.778 -11.937 1.00 0.00 WT1 H ATOM 12924 H2 TIP3 3657 10.792 7.465 11.324 1.00 0.00 WT1 H ATOM 12925 OH2 TIP3 3658 1.092 0.573 -1.089 1.00 0.00 WT1 O ATOM 12926 H1 TIP3 3658 3.359 -6.800 -2.308 1.00 0.00 WT1 H ATOM 12927 H2 TIP3 3658 0.137 -0.388 -7.099 1.00 0.00 WT1 H ATOM 12928 OH2 TIP3 3659 0.450 -2.186 7.365 1.00 0.00 WT1 O ATOM 12929 H1 TIP3 3659 -12.625 3.302 8.191 1.00 0.00 WT1 H ATOM 12930 H2 TIP3 3659 -7.377 -1.112 8.057 1.00 0.00 WT1 H ATOM 12931 OH2 TIP3 3660 2.136 8.266 -1.732 1.00 0.00 WT1 O ATOM 12932 H1 TIP3 3660 7.919 -8.465 -3.754 1.00 0.00 WT1 H ATOM 12933 H2 TIP3 3660 22.729 14.232 2.361 1.00 0.00 WT1 H ATOM 12934 OH2 TIP3 3661 2.410 -3.674 -5.267 1.00 0.00 WT1 O ATOM 12935 H1 TIP3 3661 -14.783 7.621 -24.021 1.00 0.00 WT1 H ATOM 12936 H2 TIP3 3661 9.569 15.992 11.857 1.00 0.00 WT1 H ATOM 12937 OH2 TIP3 3662 -2.015 -4.049 2.476 1.00 0.00 WT1 O ATOM 12938 H1 TIP3 3662 -2.203 1.987 -15.620 1.00 0.00 WT1 H ATOM 12939 H2 TIP3 3662 1.713 13.818 -3.771 1.00 0.00 WT1 H ATOM 12940 OH2 TIP3 3663 1.534 -1.298 8.369 1.00 0.00 WT1 O ATOM 12941 H1 TIP3 3663 2.237 0.041 -4.388 1.00 0.00 WT1 H ATOM 12942 H2 TIP3 3663 3.466 3.548 -14.113 1.00 0.00 WT1 H ATOM 12943 OH2 TIP3 3664 1.568 -5.018 -0.693 1.00 0.00 WT1 O ATOM 12944 H1 TIP3 3664 4.646 -3.405 2.707 1.00 0.00 WT1 H ATOM 12945 H2 TIP3 3664 2.566 -4.357 -2.282 1.00 0.00 WT1 H ATOM 12946 OH2 TIP3 3665 2.195 -2.906 -9.469 1.00 0.00 WT1 O ATOM 12947 H1 TIP3 3665 31.521 -1.713 -18.728 1.00 0.00 WT1 H ATOM 12948 H2 TIP3 3665 14.082 -21.523 1.930 1.00 0.00 WT1 H ATOM 12949 OH2 TIP3 3666 -4.568 -4.310 2.269 1.00 0.00 WT1 O ATOM 12950 H1 TIP3 3666 5.609 11.120 -1.819 1.00 0.00 WT1 H ATOM 12951 H2 TIP3 3666 -6.062 -7.439 4.013 1.00 0.00 WT1 H ATOM 12952 OH2 TIP3 3668 0.945 8.092 5.142 1.00 0.00 WT1 O ATOM 12953 H1 TIP3 3668 -2.453 -0.739 9.398 1.00 0.00 WT1 H ATOM 12954 H2 TIP3 3668 -1.804 5.501 5.268 1.00 0.00 WT1 H ATOM 12955 OH2 TIP3 3669 -3.219 1.707 2.809 1.00 0.00 WT1 O ATOM 12956 H1 TIP3 3669 -10.656 -0.341 7.038 1.00 0.00 WT1 H ATOM 12957 H2 TIP3 3669 -0.305 -4.907 -1.029 1.00 0.00 WT1 H ATOM 12958 OH2 TIP3 3670 5.455 2.324 -4.503 1.00 0.00 WT1 O ATOM 12959 H1 TIP3 3670 18.399 2.282 -3.854 1.00 0.00 WT1 H ATOM 12960 H2 TIP3 3670 -3.661 7.063 -8.500 1.00 0.00 WT1 H ATOM 12961 OH2 TIP3 3672 -2.950 6.379 -4.705 1.00 0.00 WT1 O ATOM 12962 H1 TIP3 3672 -0.722 -8.668 -27.882 1.00 0.00 WT1 H ATOM 12963 H2 TIP3 3672 -4.590 11.291 5.223 1.00 0.00 WT1 H ATOM 12964 OH2 TIP3 3673 -9.173 -2.005 4.097 1.00 0.00 WT1 O ATOM 12965 H1 TIP3 3673 -2.218 17.158 0.704 1.00 0.00 WT1 H ATOM 12966 H2 TIP3 3673 -9.469 -11.735 24.942 1.00 0.00 WT1 H ATOM 12967 OH2 TIP3 3674 -1.718 6.876 -2.797 1.00 0.00 WT1 O ATOM 12968 H1 TIP3 3674 2.161 -11.000 -32.187 1.00 0.00 WT1 H ATOM 12969 H2 TIP3 3674 17.911 33.557 12.830 1.00 0.00 WT1 H ATOM 12970 OH2 TIP3 3675 -1.435 1.533 9.051 1.00 0.00 WT1 O ATOM 12971 H1 TIP3 3675 21.143 -13.261 14.125 1.00 0.00 WT1 H ATOM 12972 H2 TIP3 3675 -2.610 3.527 1.030 1.00 0.00 WT1 H ATOM 12973 OH2 TIP3 3676 2.939 1.315 2.809 1.00 0.00 WT1 O ATOM 12974 H1 TIP3 3676 6.093 0.120 10.003 1.00 0.00 WT1 H ATOM 12975 H2 TIP3 3676 15.713 -8.242 26.764 1.00 0.00 WT1 H ATOM 12976 OH2 TIP3 3677 -3.155 -2.915 4.075 1.00 0.00 WT1 O ATOM 12977 H1 TIP3 3677 -24.724 -10.115 -5.152 1.00 0.00 WT1 H ATOM 12978 H2 TIP3 3677 11.083 -22.538 6.987 1.00 0.00 WT1 H ATOM 12979 OH2 TIP3 3678 4.773 -0.853 3.341 1.00 0.00 WT1 O ATOM 12980 H1 TIP3 3678 -4.165 2.468 15.688 1.00 0.00 WT1 H ATOM 12981 H2 TIP3 3678 12.093 -2.789 -7.664 1.00 0.00 WT1 H ATOM 12982 OH2 TIP3 3679 -2.329 -4.174 -3.472 1.00 0.00 WT1 O ATOM 12983 H1 TIP3 3679 3.801 6.627 -5.138 1.00 0.00 WT1 H ATOM 12984 H2 TIP3 3679 -4.468 0.162 -15.778 1.00 0.00 WT1 H ATOM 12985 OH2 TIP3 3680 -6.708 5.949 4.261 1.00 0.00 WT1 O ATOM 12986 H1 TIP3 3680 19.543 -2.222 2.767 1.00 0.00 WT1 H ATOM 12987 H2 TIP3 3680 -19.856 -3.819 6.261 1.00 0.00 WT1 H ATOM 12988 OH2 TIP3 3681 0.174 -5.077 6.917 1.00 0.00 WT1 O ATOM 12989 H1 TIP3 3681 15.999 -0.169 4.511 1.00 0.00 WT1 H ATOM 12990 H2 TIP3 3681 -20.963 -18.287 -15.069 1.00 0.00 WT1 H ATOM 12991 OH2 TIP3 3682 1.845 0.469 7.407 1.00 0.00 WT1 O ATOM 12992 H1 TIP3 3682 22.183 -2.598 -3.784 1.00 0.00 WT1 H ATOM 12993 H2 TIP3 3682 -3.509 25.493 -4.677 1.00 0.00 WT1 H ATOM 12994 OH2 TIP3 3683 1.237 1.395 2.563 1.00 0.00 WT1 O ATOM 12995 H1 TIP3 3683 -12.461 -16.581 -10.807 1.00 0.00 WT1 H ATOM 12996 H2 TIP3 3683 17.754 9.462 -5.650 1.00 0.00 WT1 H ATOM 12997 OH2 TIP3 3685 -1.684 4.208 -4.383 1.00 0.00 WT1 O ATOM 12998 H1 TIP3 3685 -7.987 -9.529 -2.816 1.00 0.00 WT1 H ATOM 12999 H2 TIP3 3685 4.954 17.196 -9.595 1.00 0.00 WT1 H ATOM 13000 OH2 TIP3 3686 6.438 -5.093 2.798 1.00 0.00 WT1 O ATOM 13001 H1 TIP3 3686 15.599 -10.728 -9.651 1.00 0.00 WT1 H ATOM 13002 H2 TIP3 3686 -7.850 3.354 7.229 1.00 0.00 WT1 H ATOM 13003 OH2 TIP3 3687 0.742 -1.681 1.160 1.00 0.00 WT1 O ATOM 13004 H1 TIP3 3687 3.388 3.468 1.169 1.00 0.00 WT1 H ATOM 13005 H2 TIP3 3687 5.461 21.437 8.359 1.00 0.00 WT1 H ATOM 13006 OH2 TIP3 3689 0.028 -6.972 -0.289 1.00 0.00 WT1 O ATOM 13007 H1 TIP3 3689 -2.213 -6.581 -6.227 1.00 0.00 WT1 H ATOM 13008 H2 TIP3 3689 -19.676 5.970 24.836 1.00 0.00 WT1 H ATOM 13009 OH2 TIP3 3691 0.731 -1.911 4.275 1.00 0.00 WT1 O ATOM 13010 H1 TIP3 3691 11.749 0.537 -6.931 1.00 0.00 WT1 H ATOM 13011 H2 TIP3 3691 7.855 3.843 -0.177 1.00 0.00 WT1 H ATOM 13012 OH2 TIP3 3692 -1.681 0.588 1.713 1.00 0.00 WT1 O ATOM 13013 H1 TIP3 3692 17.009 3.130 -17.291 1.00 0.00 WT1 H ATOM 13014 H2 TIP3 3692 7.483 6.890 2.263 1.00 0.00 WT1 H ATOM 13015 OH2 TIP3 3693 2.090 1.152 -6.563 1.00 0.00 WT1 O ATOM 13016 H1 TIP3 3693 -6.863 9.093 10.770 1.00 0.00 WT1 H ATOM 13017 H2 TIP3 3693 9.540 -17.955 0.290 1.00 0.00 WT1 H ATOM 13018 OH2 TIP3 3694 2.187 -1.208 0.469 1.00 0.00 WT1 O ATOM 13019 H1 TIP3 3694 0.936 -0.421 -0.818 1.00 0.00 WT1 H ATOM 13020 H2 TIP3 3694 6.082 1.233 -7.546 1.00 0.00 WT1 H ATOM 13021 OH2 TIP3 3695 -2.266 -2.870 1.601 1.00 0.00 WT1 O ATOM 13022 H1 TIP3 3695 -14.386 -18.027 18.259 1.00 0.00 WT1 H ATOM 13023 H2 TIP3 3695 -18.714 1.039 -20.007 1.00 0.00 WT1 H ATOM 13024 OH2 TIP3 3696 4.541 -2.967 3.473 1.00 0.00 WT1 O ATOM 13025 H1 TIP3 3696 12.996 -3.637 13.634 1.00 0.00 WT1 H ATOM 13026 H2 TIP3 3696 13.559 -8.179 -33.276 1.00 0.00 WT1 H ATOM 13027 OH2 TIP3 3697 2.304 5.345 -1.171 1.00 0.00 WT1 O ATOM 13028 H1 TIP3 3697 7.228 4.152 -0.635 1.00 0.00 WT1 H ATOM 13029 H2 TIP3 3697 -3.892 -8.263 8.833 1.00 0.00 WT1 H ATOM 13030 OH2 TIP3 3698 -3.505 -8.305 -5.388 1.00 0.00 WT1 O ATOM 13031 H1 TIP3 3698 -21.944 -2.660 -19.596 1.00 0.00 WT1 H ATOM 13032 H2 TIP3 3698 0.759 -10.108 24.450 1.00 0.00 WT1 H ATOM 13033 OH2 TIP3 3699 1.536 3.019 3.217 1.00 0.00 WT1 O ATOM 13034 H1 TIP3 3699 -8.952 -12.981 -9.206 1.00 0.00 WT1 H ATOM 13035 H2 TIP3 3699 -9.908 15.277 -9.330 1.00 0.00 WT1 H ATOM 13036 OH2 TIP3 3700 -4.767 0.402 -6.156 1.00 0.00 WT1 O ATOM 13037 H1 TIP3 3700 -10.669 -26.488 -36.643 1.00 0.00 WT1 H ATOM 13038 H2 TIP3 3700 1.324 -0.724 -10.148 1.00 0.00 WT1 H ATOM 13039 OH2 TIP3 3701 1.020 1.320 0.117 1.00 0.00 WT1 O ATOM 13040 H1 TIP3 3701 -12.536 1.943 7.315 1.00 0.00 WT1 H ATOM 13041 H2 TIP3 3701 -29.697 2.673 15.913 1.00 0.00 WT1 H ATOM 13042 OH2 TIP3 3702 -1.926 3.780 -4.337 1.00 0.00 WT1 O ATOM 13043 H1 TIP3 3702 6.252 11.671 -4.961 1.00 0.00 WT1 H ATOM 13044 H2 TIP3 3702 -5.613 -5.264 -2.684 1.00 0.00 WT1 H ATOM 13045 OH2 TIP3 3703 1.238 -6.423 2.496 1.00 0.00 WT1 O ATOM 13046 H1 TIP3 3703 4.094 -6.641 -14.118 1.00 0.00 WT1 H ATOM 13047 H2 TIP3 3703 2.608 19.273 6.253 1.00 0.00 WT1 H ATOM 13048 OH2 TIP3 3704 0.776 7.239 -3.975 1.00 0.00 WT1 O ATOM 13049 H1 TIP3 3704 -2.040 -10.611 -15.459 1.00 0.00 WT1 H ATOM 13050 H2 TIP3 3704 -16.854 -24.880 13.351 1.00 0.00 WT1 H ATOM 13051 OH2 TIP3 3705 -2.635 -7.462 2.307 1.00 0.00 WT1 O ATOM 13052 H1 TIP3 3705 -3.934 -13.036 2.075 1.00 0.00 WT1 H ATOM 13053 H2 TIP3 3705 -4.409 -5.621 2.909 1.00 0.00 WT1 H ATOM 13054 OH2 TIP3 3706 -4.998 4.573 -1.337 1.00 0.00 WT1 O ATOM 13055 H1 TIP3 3706 4.348 -7.011 9.689 1.00 0.00 WT1 H ATOM 13056 H2 TIP3 3706 10.775 11.103 -12.208 1.00 0.00 WT1 H ATOM 13057 OH2 TIP3 3708 -2.710 0.548 -0.085 1.00 0.00 WT1 O ATOM 13058 H1 TIP3 3708 9.195 4.529 18.454 1.00 0.00 WT1 H ATOM 13059 H2 TIP3 3708 4.643 -10.788 -11.312 1.00 0.00 WT1 H ATOM 13060 OH2 TIP3 3710 0.139 5.712 -2.357 1.00 0.00 WT1 O ATOM 13061 H1 TIP3 3710 2.697 2.511 -1.215 1.00 0.00 WT1 H ATOM 13062 H2 TIP3 3710 25.181 -14.331 -1.986 1.00 0.00 WT1 H ATOM 13063 OH2 TIP3 3711 1.955 -5.709 2.412 1.00 0.00 WT1 O ATOM 13064 H1 TIP3 3711 -7.877 -7.425 4.227 1.00 0.00 WT1 H ATOM 13065 H2 TIP3 3711 -8.881 -7.060 -6.811 1.00 0.00 WT1 H ATOM 13066 OH2 TIP3 3712 -4.155 -3.195 -5.398 1.00 0.00 WT1 O ATOM 13067 H1 TIP3 3712 -4.641 -35.310 -21.554 1.00 0.00 WT1 H ATOM 13068 H2 TIP3 3712 3.374 29.979 -1.681 1.00 0.00 WT1 H ATOM 13069 OH2 TIP3 3715 -1.207 -5.431 1.712 1.00 0.00 WT1 O ATOM 13070 H1 TIP3 3715 -0.391 -10.301 -3.472 1.00 0.00 WT1 H ATOM 13071 H2 TIP3 3715 -3.817 0.919 0.913 1.00 0.00 WT1 H ATOM 13072 OH2 TIP3 3717 1.972 -5.360 3.067 1.00 0.00 WT1 O ATOM 13073 H1 TIP3 3717 -18.618 -17.204 6.623 1.00 0.00 WT1 H ATOM 13074 H2 TIP3 3717 -5.811 -3.968 0.272 1.00 0.00 WT1 H ATOM 13075 OH2 TIP3 3718 -5.684 6.317 -2.863 1.00 0.00 WT1 O ATOM 13076 H1 TIP3 3718 -0.406 -2.688 -1.512 1.00 0.00 WT1 H ATOM 13077 H2 TIP3 3718 -12.204 -1.743 -14.667 1.00 0.00 WT1 H ATOM 13078 OH2 TIP3 3719 -0.294 0.506 2.233 1.00 0.00 WT1 O ATOM 13079 H1 TIP3 3719 12.160 -8.164 -1.978 1.00 0.00 WT1 H ATOM 13080 H2 TIP3 3719 8.066 -7.251 13.695 1.00 0.00 WT1 H ATOM 13081 OH2 TIP3 3720 0.461 0.515 -3.240 1.00 0.00 WT1 O ATOM 13082 H1 TIP3 3720 7.927 -5.600 5.215 1.00 0.00 WT1 H ATOM 13083 H2 TIP3 3720 -6.721 6.030 -10.653 1.00 0.00 WT1 H ATOM 13084 OH2 TIP3 3721 0.325 -0.297 -0.332 1.00 0.00 WT1 O ATOM 13085 H1 TIP3 3721 -4.432 -4.925 -10.238 1.00 0.00 WT1 H ATOM 13086 H2 TIP3 3721 -6.074 6.575 5.861 1.00 0.00 WT1 H ATOM 13087 OH2 TIP3 3722 2.610 0.599 -3.480 1.00 0.00 WT1 O ATOM 13088 H1 TIP3 3722 11.445 5.213 10.075 1.00 0.00 WT1 H ATOM 13089 H2 TIP3 3722 11.179 25.005 6.393 1.00 0.00 WT1 H ATOM 13090 OH2 TIP3 3723 0.676 4.342 -0.821 1.00 0.00 WT1 O ATOM 13091 H1 TIP3 3723 -6.805 -2.339 -10.923 1.00 0.00 WT1 H ATOM 13092 H2 TIP3 3723 0.604 -10.645 0.470 1.00 0.00 WT1 H ATOM 13093 OH2 TIP3 3724 3.185 -7.478 0.643 1.00 0.00 WT1 O ATOM 13094 H1 TIP3 3724 4.382 -26.902 13.844 1.00 0.00 WT1 H ATOM 13095 H2 TIP3 3724 12.724 20.324 -5.422 1.00 0.00 WT1 H ATOM 13096 OH2 TIP3 3727 3.112 3.753 3.582 1.00 0.00 WT1 O ATOM 13097 H1 TIP3 3727 -3.134 8.440 -4.779 1.00 0.00 WT1 H ATOM 13098 H2 TIP3 3727 5.602 1.493 5.189 1.00 0.00 WT1 H ATOM 13099 OH2 TIP3 3728 2.383 2.538 -4.930 1.00 0.00 WT1 O ATOM 13100 H1 TIP3 3728 7.689 15.728 -9.422 1.00 0.00 WT1 H ATOM 13101 H2 TIP3 3728 1.018 3.870 -8.435 1.00 0.00 WT1 H ATOM 13102 OH2 TIP3 3729 6.661 2.243 1.526 1.00 0.00 WT1 O ATOM 13103 H1 TIP3 3729 9.164 10.447 -1.954 1.00 0.00 WT1 H ATOM 13104 H2 TIP3 3729 0.977 -2.518 -4.258 1.00 0.00 WT1 H ATOM 13105 OH2 TIP3 3732 2.784 1.411 3.428 1.00 0.00 WT1 O ATOM 13106 H1 TIP3 3732 6.033 -9.662 9.463 1.00 0.00 WT1 H ATOM 13107 H2 TIP3 3732 6.135 14.835 16.988 1.00 0.00 WT1 H ATOM 13108 OH2 TIP3 3735 1.474 0.804 -1.697 1.00 0.00 WT1 O ATOM 13109 H1 TIP3 3735 -3.325 -17.511 -14.261 1.00 0.00 WT1 H ATOM 13110 H2 TIP3 3735 2.513 11.448 -11.251 1.00 0.00 WT1 H ATOM 13111 OH2 TIP3 3736 -2.829 0.042 0.753 1.00 0.00 WT1 O ATOM 13112 H1 TIP3 3736 1.085 -3.811 34.910 1.00 0.00 WT1 H ATOM 13113 H2 TIP3 3736 -6.024 0.786 -19.039 1.00 0.00 WT1 H ATOM 13114 OH2 TIP3 3737 1.923 -0.378 5.815 1.00 0.00 WT1 O ATOM 13115 H1 TIP3 3737 -1.460 34.875 10.523 1.00 0.00 WT1 H ATOM 13116 H2 TIP3 3737 -8.740 5.715 0.049 1.00 0.00 WT1 H ATOM 13117 OH2 TIP3 3738 1.902 2.481 -4.954 1.00 0.00 WT1 O ATOM 13118 H1 TIP3 3738 -15.821 7.796 4.167 1.00 0.00 WT1 H ATOM 13119 H2 TIP3 3738 -15.654 6.743 0.850 1.00 0.00 WT1 H ATOM 13120 OH2 TIP3 3739 -5.793 -1.400 2.781 1.00 0.00 WT1 O ATOM 13121 H1 TIP3 3739 16.167 -4.309 2.190 1.00 0.00 WT1 H ATOM 13122 H2 TIP3 3739 -10.945 -2.054 7.097 1.00 0.00 WT1 H ATOM 13123 OH2 TIP3 3740 -3.783 -0.613 -0.504 1.00 0.00 WT1 O ATOM 13124 H1 TIP3 3740 -6.334 11.564 -15.303 1.00 0.00 WT1 H ATOM 13125 H2 TIP3 3740 0.819 -29.641 0.151 1.00 0.00 WT1 H ATOM 13126 OH2 TIP3 3741 0.597 2.381 7.297 1.00 0.00 WT1 O ATOM 13127 H1 TIP3 3741 -7.632 -19.581 17.020 1.00 0.00 WT1 H ATOM 13128 H2 TIP3 3741 -2.951 -12.269 10.116 1.00 0.00 WT1 H ATOM 13129 OH2 TIP3 3742 -3.428 -4.990 -1.212 1.00 0.00 WT1 O ATOM 13130 H1 TIP3 3742 3.422 -6.420 -7.952 1.00 0.00 WT1 H ATOM 13131 H2 TIP3 3742 -3.634 -4.885 -0.811 1.00 0.00 WT1 H ATOM 13132 OH2 TIP3 3743 3.152 0.261 -2.639 1.00 0.00 WT1 O ATOM 13133 H1 TIP3 3743 1.486 18.735 3.305 1.00 0.00 WT1 H ATOM 13134 H2 TIP3 3743 9.136 -4.560 12.535 1.00 0.00 WT1 H ATOM 13135 OH2 TIP3 3744 0.516 5.443 -3.964 1.00 0.00 WT1 O ATOM 13136 H1 TIP3 3744 -4.056 21.651 -0.086 1.00 0.00 WT1 H ATOM 13137 H2 TIP3 3744 6.830 14.211 -13.392 1.00 0.00 WT1 H ATOM 13138 OH2 TIP3 3745 3.892 -2.045 2.113 1.00 0.00 WT1 O ATOM 13139 H1 TIP3 3745 0.745 7.773 -6.146 1.00 0.00 WT1 H ATOM 13140 H2 TIP3 3745 -2.935 -4.769 5.003 1.00 0.00 WT1 H ATOM 13141 OH2 TIP3 3746 -3.531 4.340 -0.159 1.00 0.00 WT1 O ATOM 13142 H1 TIP3 3746 0.013 11.557 6.370 1.00 0.00 WT1 H ATOM 13143 H2 TIP3 3746 5.140 -2.203 -11.479 1.00 0.00 WT1 H ATOM 13144 OH2 TIP3 3747 -4.298 -4.305 5.389 1.00 0.00 WT1 O ATOM 13145 H1 TIP3 3747 -7.835 23.680 14.187 1.00 0.00 WT1 H ATOM 13146 H2 TIP3 3747 3.578 -3.618 9.376 1.00 0.00 WT1 H ATOM 13147 OH2 TIP3 3750 2.287 -5.277 -4.151 1.00 0.00 WT1 O ATOM 13148 H1 TIP3 3750 2.575 -8.639 -8.746 1.00 0.00 WT1 H ATOM 13149 H2 TIP3 3750 7.356 -2.648 -3.163 1.00 0.00 WT1 H ATOM 13150 OH2 TIP3 3751 8.546 -1.102 3.921 1.00 0.00 WT1 O ATOM 13151 H1 TIP3 3751 -7.127 -17.560 -10.460 1.00 0.00 WT1 H ATOM 13152 H2 TIP3 3751 -1.255 -11.769 -11.382 1.00 0.00 WT1 H ATOM 13153 OH2 TIP3 3752 -1.786 2.104 8.393 1.00 0.00 WT1 O ATOM 13154 H1 TIP3 3752 3.666 -10.132 -3.886 1.00 0.00 WT1 H ATOM 13155 H2 TIP3 3752 12.053 4.708 -1.477 1.00 0.00 WT1 H ATOM 13156 OH2 TIP3 3753 0.495 4.177 0.583 1.00 0.00 WT1 O ATOM 13157 H1 TIP3 3753 16.099 -0.721 -9.336 1.00 0.00 WT1 H ATOM 13158 H2 TIP3 3753 -5.977 19.738 -6.129 1.00 0.00 WT1 H ATOM 13159 OH2 TIP3 3756 6.580 3.847 3.277 1.00 0.00 WT1 O ATOM 13160 H1 TIP3 3756 4.496 1.561 1.692 1.00 0.00 WT1 H ATOM 13161 H2 TIP3 3756 5.111 10.629 9.741 1.00 0.00 WT1 H ATOM 13162 OH2 TIP3 3757 -2.900 2.825 1.238 1.00 0.00 WT1 O ATOM 13163 H1 TIP3 3757 2.326 -6.020 32.012 1.00 0.00 WT1 H ATOM 13164 H2 TIP3 3757 -2.383 -13.824 36.099 1.00 0.00 WT1 H ATOM 13165 OH2 TIP3 3758 -5.211 -6.774 -4.767 1.00 0.00 WT1 O ATOM 13166 H1 TIP3 3758 -11.913 -10.552 7.066 1.00 0.00 WT1 H ATOM 13167 H2 TIP3 3758 -4.079 -20.276 7.630 1.00 0.00 WT1 H ATOM 13168 OH2 TIP3 3759 4.283 4.958 5.336 1.00 0.00 WT1 O ATOM 13169 H1 TIP3 3759 20.168 0.027 2.017 1.00 0.00 WT1 H ATOM 13170 H2 TIP3 3759 5.607 21.458 1.721 1.00 0.00 WT1 H ATOM 13171 OH2 TIP3 3760 4.224 -2.954 0.558 1.00 0.00 WT1 O ATOM 13172 H1 TIP3 3760 -1.019 3.134 -15.681 1.00 0.00 WT1 H ATOM 13173 H2 TIP3 3760 -21.516 0.427 16.797 1.00 0.00 WT1 H ATOM 13174 OH2 TIP3 3761 -2.566 6.494 -5.061 1.00 0.00 WT1 O ATOM 13175 H1 TIP3 3761 0.798 -11.434 5.458 1.00 0.00 WT1 H ATOM 13176 H2 TIP3 3761 -19.975 22.998 -2.879 1.00 0.00 WT1 H ATOM 13177 OH2 TIP3 3762 0.211 2.472 -0.209 1.00 0.00 WT1 O ATOM 13178 H1 TIP3 3762 0.511 0.015 11.027 1.00 0.00 WT1 H ATOM 13179 H2 TIP3 3762 -5.522 -0.706 -8.893 1.00 0.00 WT1 H ATOM 13180 OH2 TIP3 3763 1.570 -0.600 6.259 1.00 0.00 WT1 O ATOM 13181 H1 TIP3 3763 -6.022 -1.592 11.488 1.00 0.00 WT1 H ATOM 13182 H2 TIP3 3763 -1.984 -0.244 -33.622 1.00 0.00 WT1 H ATOM 13183 OH2 TIP3 3764 -5.863 -7.304 9.176 1.00 0.00 WT1 O ATOM 13184 H1 TIP3 3764 6.667 -3.537 2.419 1.00 0.00 WT1 H ATOM 13185 H2 TIP3 3764 -8.365 6.394 13.276 1.00 0.00 WT1 H ATOM 13186 OH2 TIP3 3765 -4.199 -2.832 8.025 1.00 0.00 WT1 O ATOM 13187 H1 TIP3 3765 13.804 -12.140 -9.209 1.00 0.00 WT1 H ATOM 13188 H2 TIP3 3765 1.071 5.235 19.826 1.00 0.00 WT1 H ATOM 13189 OH2 TIP3 3768 -3.753 -1.698 -3.700 1.00 0.00 WT1 O ATOM 13190 H1 TIP3 3768 17.685 -7.752 -2.623 1.00 0.00 WT1 H ATOM 13191 H2 TIP3 3768 5.651 33.738 -8.310 1.00 0.00 WT1 H ATOM 13192 OH2 TIP3 3770 1.930 -1.644 2.107 1.00 0.00 WT1 O ATOM 13193 H1 TIP3 3770 -4.974 6.406 -4.548 1.00 0.00 WT1 H ATOM 13194 H2 TIP3 3770 -15.955 -18.155 6.347 1.00 0.00 WT1 H ATOM 13195 OH2 TIP3 3775 1.796 -4.066 6.302 1.00 0.00 WT1 O ATOM 13196 H1 TIP3 3775 -10.481 1.026 -2.306 1.00 0.00 WT1 H ATOM 13197 H2 TIP3 3775 1.385 -7.807 -0.939 1.00 0.00 WT1 H ATOM 13198 OH2 TIP3 3776 -4.823 -0.752 5.341 1.00 0.00 WT1 O ATOM 13199 H1 TIP3 3776 -7.399 -16.193 -15.209 1.00 0.00 WT1 H ATOM 13200 H2 TIP3 3776 -31.674 -26.153 -12.585 1.00 0.00 WT1 H ATOM 13201 OH2 TIP3 3777 4.050 3.400 -2.964 1.00 0.00 WT1 O ATOM 13202 H1 TIP3 3777 14.525 -1.718 -19.348 1.00 0.00 WT1 H ATOM 13203 H2 TIP3 3777 -9.615 26.494 -8.711 1.00 0.00 WT1 H ATOM 13204 OH2 TIP3 3779 0.549 0.415 0.708 1.00 0.00 WT1 O ATOM 13205 H1 TIP3 3779 12.751 9.761 -6.036 1.00 0.00 WT1 H ATOM 13206 H2 TIP3 3779 -9.998 10.524 6.818 1.00 0.00 WT1 H ATOM 13207 OH2 TIP3 3780 0.717 -3.727 3.172 1.00 0.00 WT1 O ATOM 13208 H1 TIP3 3780 -7.544 -3.008 -5.051 1.00 0.00 WT1 H ATOM 13209 H2 TIP3 3780 -15.107 6.371 -8.544 1.00 0.00 WT1 H ATOM 13210 OH2 TIP3 3781 -0.202 3.247 2.556 1.00 0.00 WT1 O ATOM 13211 H1 TIP3 3781 -0.674 -8.539 -0.657 1.00 0.00 WT1 H ATOM 13212 H2 TIP3 3781 -3.034 4.351 -1.939 1.00 0.00 WT1 H ATOM 13213 OH2 TIP3 3782 -3.106 -1.363 0.602 1.00 0.00 WT1 O ATOM 13214 H1 TIP3 3782 4.190 -6.151 -4.647 1.00 0.00 WT1 H ATOM 13215 H2 TIP3 3782 -5.409 -13.052 5.068 1.00 0.00 WT1 H ATOM 13216 OH2 TIP3 3783 3.432 -0.488 -2.013 1.00 0.00 WT1 O ATOM 13217 H1 TIP3 3783 9.929 2.503 -4.621 1.00 0.00 WT1 H ATOM 13218 H2 TIP3 3783 5.617 -11.874 -1.226 1.00 0.00 WT1 H ATOM 13219 OH2 TIP3 3784 6.410 -3.025 0.613 1.00 0.00 WT1 O ATOM 13220 H1 TIP3 3784 -15.751 38.120 9.352 1.00 0.00 WT1 H ATOM 13221 H2 TIP3 3784 11.457 -13.706 2.127 1.00 0.00 WT1 H ATOM 13222 OH2 TIP3 3785 -1.007 6.095 -2.415 1.00 0.00 WT1 O ATOM 13223 H1 TIP3 3785 0.531 3.491 -11.040 1.00 0.00 WT1 H ATOM 13224 H2 TIP3 3785 1.240 0.019 -7.505 1.00 0.00 WT1 H ATOM 13225 OH2 TIP3 3786 -0.993 -1.462 1.680 1.00 0.00 WT1 O ATOM 13226 H1 TIP3 3786 0.370 2.589 -6.764 1.00 0.00 WT1 H ATOM 13227 H2 TIP3 3786 -15.848 -2.040 0.475 1.00 0.00 WT1 H ATOM 13228 OH2 TIP3 3788 -2.921 -2.178 8.223 1.00 0.00 WT1 O ATOM 13229 H1 TIP3 3788 6.099 -5.518 6.049 1.00 0.00 WT1 H ATOM 13230 H2 TIP3 3788 -5.627 0.167 2.056 1.00 0.00 WT1 H ATOM 13231 OH2 TIP3 3789 -1.045 -3.222 5.277 1.00 0.00 WT1 O ATOM 13232 H1 TIP3 3789 2.671 -7.158 3.018 1.00 0.00 WT1 H ATOM 13233 H2 TIP3 3789 3.329 -18.623 12.531 1.00 0.00 WT1 H ATOM 13234 OH2 TIP3 3790 0.098 2.321 -5.408 1.00 0.00 WT1 O ATOM 13235 H1 TIP3 3790 4.849 6.832 -13.427 1.00 0.00 WT1 H ATOM 13236 H2 TIP3 3790 -21.068 4.908 -18.581 1.00 0.00 WT1 H ATOM 13237 OH2 TIP3 3795 4.564 -0.214 2.823 1.00 0.00 WT1 O ATOM 13238 H1 TIP3 3795 3.069 3.174 7.971 1.00 0.00 WT1 H ATOM 13239 H2 TIP3 3795 -2.374 3.159 -1.085 1.00 0.00 WT1 H ATOM 13240 OH2 TIP3 3796 -2.661 -3.927 2.699 1.00 0.00 WT1 O ATOM 13241 H1 TIP3 3796 -10.665 -12.964 6.915 1.00 0.00 WT1 H ATOM 13242 H2 TIP3 3796 -2.561 0.654 2.545 1.00 0.00 WT1 H ATOM 13243 OH2 TIP3 3797 3.546 10.243 1.250 1.00 0.00 WT1 O ATOM 13244 H1 TIP3 3797 -18.849 -10.128 -8.927 1.00 0.00 WT1 H ATOM 13245 H2 TIP3 3797 -8.787 0.983 2.565 1.00 0.00 WT1 H ATOM 13246 OH2 TIP3 3798 5.860 3.288 2.383 1.00 0.00 WT1 O ATOM 13247 H1 TIP3 3798 6.131 -2.521 8.027 1.00 0.00 WT1 H ATOM 13248 H2 TIP3 3798 4.081 1.780 -1.652 1.00 0.00 WT1 H ATOM 13249 OH2 TIP3 3800 -1.930 -4.346 3.933 1.00 0.00 WT1 O ATOM 13250 H1 TIP3 3800 -12.932 -0.127 -4.252 1.00 0.00 WT1 H ATOM 13251 H2 TIP3 3800 -3.373 -14.670 39.254 1.00 0.00 WT1 H ATOM 13252 OH2 TIP3 3801 0.794 3.640 -1.561 1.00 0.00 WT1 O ATOM 13253 H1 TIP3 3801 0.416 -0.324 13.947 1.00 0.00 WT1 H ATOM 13254 H2 TIP3 3801 -3.959 -8.873 -9.251 1.00 0.00 WT1 H ATOM 13255 OH2 TIP3 3802 4.013 2.972 3.746 1.00 0.00 WT1 O ATOM 13256 H1 TIP3 3802 -0.261 -8.915 -9.570 1.00 0.00 WT1 H ATOM 13257 H2 TIP3 3802 -8.537 14.135 8.301 1.00 0.00 WT1 H ATOM 13258 OH2 TIP3 3803 -1.841 2.172 -0.457 1.00 0.00 WT1 O ATOM 13259 H1 TIP3 3803 -2.663 2.809 7.932 1.00 0.00 WT1 H ATOM 13260 H2 TIP3 3803 -4.990 4.621 5.672 1.00 0.00 WT1 H ATOM 13261 OH2 TIP3 3804 2.774 -2.439 -3.562 1.00 0.00 WT1 O ATOM 13262 H1 TIP3 3804 -0.708 16.240 -11.251 1.00 0.00 WT1 H ATOM 13263 H2 TIP3 3804 17.591 24.609 5.688 1.00 0.00 WT1 H ATOM 13264 OH2 TIP3 3805 2.011 -2.482 -2.500 1.00 0.00 WT1 O ATOM 13265 H1 TIP3 3805 -5.665 -2.022 3.021 1.00 0.00 WT1 H ATOM 13266 H2 TIP3 3805 1.831 5.421 -7.663 1.00 0.00 WT1 H ATOM 13267 OH2 TIP3 3806 -1.565 2.092 0.052 1.00 0.00 WT1 O ATOM 13268 H1 TIP3 3806 3.081 -1.213 -1.377 1.00 0.00 WT1 H ATOM 13269 H2 TIP3 3806 -4.512 0.410 5.203 1.00 0.00 WT1 H ATOM 13270 OH2 TIP3 3807 -2.062 1.137 4.276 1.00 0.00 WT1 O ATOM 13271 H1 TIP3 3807 -5.424 35.877 6.905 1.00 0.00 WT1 H ATOM 13272 H2 TIP3 3807 4.512 -19.089 -0.909 1.00 0.00 WT1 H ATOM 13273 OH2 TIP3 3808 -2.204 -2.567 2.061 1.00 0.00 WT1 O ATOM 13274 H1 TIP3 3808 9.791 18.428 18.076 1.00 0.00 WT1 H ATOM 13275 H2 TIP3 3808 9.458 14.061 1.847 1.00 0.00 WT1 H ATOM 13276 OH2 TIP3 3809 0.600 -1.829 -0.617 1.00 0.00 WT1 O ATOM 13277 H1 TIP3 3809 0.599 14.700 9.927 1.00 0.00 WT1 H ATOM 13278 H2 TIP3 3809 5.221 -18.563 -18.971 1.00 0.00 WT1 H ATOM 13279 OH2 TIP3 3810 8.068 -1.973 -3.118 1.00 0.00 WT1 O ATOM 13280 H1 TIP3 3810 -10.757 -22.157 -8.132 1.00 0.00 WT1 H ATOM 13281 H2 TIP3 3810 -13.235 11.797 1.812 1.00 0.00 WT1 H ATOM 13282 OH2 TIP3 3811 -2.176 8.422 2.135 1.00 0.00 WT1 O ATOM 13283 H1 TIP3 3811 11.723 -9.513 6.833 1.00 0.00 WT1 H ATOM 13284 H2 TIP3 3811 -11.672 -0.486 -21.154 1.00 0.00 WT1 H ATOM 13285 OH2 TIP3 3813 0.212 3.831 3.757 1.00 0.00 WT1 O ATOM 13286 H1 TIP3 3813 5.603 11.180 -13.976 1.00 0.00 WT1 H ATOM 13287 H2 TIP3 3813 12.428 10.307 -15.804 1.00 0.00 WT1 H ATOM 13288 OH2 TIP3 3818 3.635 -1.980 8.131 1.00 0.00 WT1 O ATOM 13289 H1 TIP3 3818 17.428 30.089 10.410 1.00 0.00 WT1 H ATOM 13290 H2 TIP3 3818 6.875 -17.301 17.609 1.00 0.00 WT1 H ATOM 13291 OH2 TIP3 3819 -5.106 -1.814 -2.554 1.00 0.00 WT1 O ATOM 13292 H1 TIP3 3819 -19.834 -15.882 8.893 1.00 0.00 WT1 H ATOM 13293 H2 TIP3 3819 -12.142 -20.472 18.402 1.00 0.00 WT1 H ATOM 13294 OH2 TIP3 3820 2.786 -0.978 1.624 1.00 0.00 WT1 O ATOM 13295 H1 TIP3 3820 15.030 2.480 8.713 1.00 0.00 WT1 H ATOM 13296 H2 TIP3 3820 -13.524 -17.783 14.176 1.00 0.00 WT1 H ATOM 13297 OH2 TIP3 3821 3.449 -0.446 0.378 1.00 0.00 WT1 O ATOM 13298 H1 TIP3 3821 5.925 -4.364 11.128 1.00 0.00 WT1 H ATOM 13299 H2 TIP3 3821 -6.467 1.029 0.065 1.00 0.00 WT1 H ATOM 13300 OH2 TIP3 3822 -10.441 -4.485 -1.669 1.00 0.00 WT1 O ATOM 13301 H1 TIP3 3822 -10.926 -4.954 -1.815 1.00 0.00 WT1 H ATOM 13302 H2 TIP3 3822 -5.983 -3.775 -8.917 1.00 0.00 WT1 H ATOM 13303 OH2 TIP3 3823 0.725 2.156 -4.324 1.00 0.00 WT1 O ATOM 13304 H1 TIP3 3823 6.993 22.509 -25.106 1.00 0.00 WT1 H ATOM 13305 H2 TIP3 3823 -13.534 -7.131 -17.222 1.00 0.00 WT1 H ATOM 13306 OH2 TIP3 3825 -3.968 4.114 -3.675 1.00 0.00 WT1 O ATOM 13307 H1 TIP3 3825 -0.812 1.170 5.305 1.00 0.00 WT1 H ATOM 13308 H2 TIP3 3825 3.059 -2.690 20.093 1.00 0.00 WT1 H ATOM 13309 OH2 TIP3 3826 5.806 4.001 -0.655 1.00 0.00 WT1 O ATOM 13310 H1 TIP3 3826 -17.016 5.479 14.146 1.00 0.00 WT1 H ATOM 13311 H2 TIP3 3826 8.612 -2.497 -0.472 1.00 0.00 WT1 H ATOM 13312 OH2 TIP3 3827 2.383 -3.414 -3.698 1.00 0.00 WT1 O ATOM 13313 H1 TIP3 3827 24.456 -5.639 -11.722 1.00 0.00 WT1 H ATOM 13314 H2 TIP3 3827 -5.865 -2.949 5.087 1.00 0.00 WT1 H ATOM 13315 OH2 TIP3 3828 7.954 -2.653 1.678 1.00 0.00 WT1 O ATOM 13316 H1 TIP3 3828 -23.599 -4.221 -13.485 1.00 0.00 WT1 H ATOM 13317 H2 TIP3 3828 18.696 -1.205 7.453 1.00 0.00 WT1 H ATOM 13318 OH2 TIP3 3829 1.177 6.989 -0.768 1.00 0.00 WT1 O ATOM 13319 H1 TIP3 3829 9.246 2.972 11.387 1.00 0.00 WT1 H ATOM 13320 H2 TIP3 3829 -7.903 -21.890 -0.789 1.00 0.00 WT1 H ATOM 13321 OH2 TIP3 3830 -4.480 4.491 -0.039 1.00 0.00 WT1 O ATOM 13322 H1 TIP3 3830 -16.629 -16.329 3.177 1.00 0.00 WT1 H ATOM 13323 H2 TIP3 3830 -1.328 12.186 5.550 1.00 0.00 WT1 H ATOM 13324 OH2 TIP3 3832 1.910 -3.751 -0.988 1.00 0.00 WT1 O ATOM 13325 H1 TIP3 3832 -7.008 -7.558 11.776 1.00 0.00 WT1 H ATOM 13326 H2 TIP3 3832 -10.514 4.375 -2.442 1.00 0.00 WT1 H ATOM 13327 OH2 TIP3 3833 3.844 -1.372 -1.772 1.00 0.00 WT1 O ATOM 13328 H1 TIP3 3833 -12.635 5.005 5.244 1.00 0.00 WT1 H ATOM 13329 H2 TIP3 3833 12.100 -7.866 5.466 1.00 0.00 WT1 H ATOM 13330 OH2 TIP3 3836 1.279 2.828 -2.988 1.00 0.00 WT1 O ATOM 13331 H1 TIP3 3836 1.531 0.094 -2.943 1.00 0.00 WT1 H ATOM 13332 H2 TIP3 3836 -3.688 3.224 -9.183 1.00 0.00 WT1 H ATOM 13333 OH2 TIP3 3837 0.982 2.601 -3.213 1.00 0.00 WT1 O ATOM 13334 H1 TIP3 3837 -7.068 -7.625 -4.872 1.00 0.00 WT1 H ATOM 13335 H2 TIP3 3837 2.251 11.109 17.728 1.00 0.00 WT1 H ATOM 13336 OH2 TIP3 3839 -5.582 -0.511 3.987 1.00 0.00 WT1 O ATOM 13337 H1 TIP3 3839 -7.228 -2.845 0.901 1.00 0.00 WT1 H ATOM 13338 H2 TIP3 3839 4.066 -11.087 -0.229 1.00 0.00 WT1 H ATOM 13339 OH2 TIP3 3841 4.001 1.022 -3.219 1.00 0.00 WT1 O ATOM 13340 H1 TIP3 3841 16.460 -2.281 2.022 1.00 0.00 WT1 H ATOM 13341 H2 TIP3 3841 24.785 3.953 -4.829 1.00 0.00 WT1 H ATOM 13342 OH2 TIP3 3844 7.629 -0.642 -4.033 1.00 0.00 WT1 O ATOM 13343 H1 TIP3 3844 -10.833 11.743 -1.645 1.00 0.00 WT1 H ATOM 13344 H2 TIP3 3844 -5.643 -25.322 -13.110 1.00 0.00 WT1 H ATOM 13345 OH2 TIP3 3845 0.810 -7.886 0.505 1.00 0.00 WT1 O ATOM 13346 H1 TIP3 3845 7.155 -22.799 6.558 1.00 0.00 WT1 H ATOM 13347 H2 TIP3 3845 0.191 2.761 -10.625 1.00 0.00 WT1 H ATOM 13348 OH2 TIP3 3846 -0.822 -0.662 -2.557 1.00 0.00 WT1 O ATOM 13349 H1 TIP3 3846 -27.005 -16.347 -10.804 1.00 0.00 WT1 H ATOM 13350 H2 TIP3 3846 2.900 -30.504 -0.661 1.00 0.00 WT1 H ATOM 13351 OH2 TIP3 3847 1.230 0.439 12.187 1.00 0.00 WT1 O ATOM 13352 H1 TIP3 3847 23.465 -14.062 -2.904 1.00 0.00 WT1 H ATOM 13353 H2 TIP3 3847 -18.943 21.466 -26.229 1.00 0.00 WT1 H ATOM 13354 OH2 TIP3 3848 -5.373 -1.007 -2.343 1.00 0.00 WT1 O ATOM 13355 H1 TIP3 3848 -1.657 -17.481 -6.657 1.00 0.00 WT1 H ATOM 13356 H2 TIP3 3848 -19.685 3.149 -9.143 1.00 0.00 WT1 H ATOM 13357 OH2 TIP3 3849 7.349 -4.978 0.803 1.00 0.00 WT1 O ATOM 13358 H1 TIP3 3849 -3.571 -4.239 9.123 1.00 0.00 WT1 H ATOM 13359 H2 TIP3 3849 1.181 -3.443 5.932 1.00 0.00 WT1 H ATOM 13360 OH2 TIP3 3851 -1.736 -5.904 3.105 1.00 0.00 WT1 O ATOM 13361 H1 TIP3 3851 8.217 -11.745 2.361 1.00 0.00 WT1 H ATOM 13362 H2 TIP3 3851 21.888 7.585 1.040 1.00 0.00 WT1 H ATOM 13363 OH2 TIP3 3852 -0.416 -2.353 -1.433 1.00 0.00 WT1 O ATOM 13364 H1 TIP3 3852 16.473 15.149 11.554 1.00 0.00 WT1 H ATOM 13365 H2 TIP3 3852 21.784 17.649 -16.342 1.00 0.00 WT1 H ATOM 13366 OH2 TIP3 3853 1.357 -3.172 -1.355 1.00 0.00 WT1 O ATOM 13367 H1 TIP3 3853 -37.864 -19.940 16.094 1.00 0.00 WT1 H ATOM 13368 H2 TIP3 3853 2.090 -11.232 -5.613 1.00 0.00 WT1 H ATOM 13369 OH2 TIP3 3854 3.116 1.559 -0.707 1.00 0.00 WT1 O ATOM 13370 H1 TIP3 3854 -12.411 -11.981 6.180 1.00 0.00 WT1 H ATOM 13371 H2 TIP3 3854 18.461 3.368 2.965 1.00 0.00 WT1 H ATOM 13372 OH2 TIP3 3856 -0.384 2.518 -3.135 1.00 0.00 WT1 O ATOM 13373 H1 TIP3 3856 8.732 -1.119 -18.527 1.00 0.00 WT1 H ATOM 13374 H2 TIP3 3856 0.400 -19.348 17.578 1.00 0.00 WT1 H ATOM 13375 OH2 TIP3 3860 -5.038 0.041 -5.096 1.00 0.00 WT1 O ATOM 13376 H1 TIP3 3860 7.173 18.702 -7.756 1.00 0.00 WT1 H ATOM 13377 H2 TIP3 3860 5.400 10.569 -0.626 1.00 0.00 WT1 H ATOM 13378 OH2 TIP3 3863 -5.285 -0.163 0.084 1.00 0.00 WT1 O ATOM 13379 H1 TIP3 3863 -1.510 8.779 -13.949 1.00 0.00 WT1 H ATOM 13380 H2 TIP3 3863 -9.927 2.810 -7.701 1.00 0.00 WT1 H ATOM 13381 OH2 TIP3 3865 4.046 0.864 -0.727 1.00 0.00 WT1 O ATOM 13382 H1 TIP3 3865 -8.496 -1.431 -6.548 1.00 0.00 WT1 H ATOM 13383 H2 TIP3 3865 11.957 2.613 13.554 1.00 0.00 WT1 H ATOM 13384 OH2 TIP3 3866 -1.311 -7.432 2.262 1.00 0.00 WT1 O ATOM 13385 H1 TIP3 3866 19.805 -4.260 -10.474 1.00 0.00 WT1 H ATOM 13386 H2 TIP3 3866 1.744 -37.795 5.149 1.00 0.00 WT1 H ATOM 13387 OH2 TIP3 3867 9.135 -1.339 1.784 1.00 0.00 WT1 O ATOM 13388 H1 TIP3 3867 -6.832 0.318 6.065 1.00 0.00 WT1 H ATOM 13389 H2 TIP3 3867 -3.472 -2.323 -15.396 1.00 0.00 WT1 H ATOM 13390 OH2 TIP3 3868 5.642 0.681 -0.129 1.00 0.00 WT1 O ATOM 13391 H1 TIP3 3868 6.599 -4.245 -19.790 1.00 0.00 WT1 H ATOM 13392 H2 TIP3 3868 -3.132 7.102 3.999 1.00 0.00 WT1 H ATOM 13393 OH2 TIP3 3869 -0.797 1.265 -3.402 1.00 0.00 WT1 O ATOM 13394 H1 TIP3 3869 8.297 -12.771 4.452 1.00 0.00 WT1 H ATOM 13395 H2 TIP3 3869 -17.279 21.670 -9.037 1.00 0.00 WT1 H ATOM 13396 OH2 TIP3 3870 -3.665 3.412 -7.009 1.00 0.00 WT1 O ATOM 13397 H1 TIP3 3870 -8.236 -3.434 -6.583 1.00 0.00 WT1 H ATOM 13398 H2 TIP3 3870 -2.677 4.741 0.001 1.00 0.00 WT1 H ATOM 13399 OH2 TIP3 3871 2.660 -0.624 4.180 1.00 0.00 WT1 O ATOM 13400 H1 TIP3 3871 17.393 -9.373 -2.939 1.00 0.00 WT1 H ATOM 13401 H2 TIP3 3871 -4.815 2.745 -2.971 1.00 0.00 WT1 H ATOM 13402 OH2 TIP3 3873 0.529 3.261 1.442 1.00 0.00 WT1 O ATOM 13403 H1 TIP3 3873 -12.099 -0.406 7.086 1.00 0.00 WT1 H ATOM 13404 H2 TIP3 3873 -6.628 10.038 -8.742 1.00 0.00 WT1 H ATOM 13405 OH2 TIP3 3875 -1.363 3.976 1.406 1.00 0.00 WT1 O ATOM 13406 H1 TIP3 3875 -3.346 31.753 6.494 1.00 0.00 WT1 H ATOM 13407 H2 TIP3 3875 10.409 9.922 7.776 1.00 0.00 WT1 H ATOM 13408 OH2 TIP3 3877 -2.126 -4.577 -7.225 1.00 0.00 WT1 O ATOM 13409 H1 TIP3 3877 -20.961 -10.275 1.904 1.00 0.00 WT1 H ATOM 13410 H2 TIP3 3877 0.630 14.998 1.816 1.00 0.00 WT1 H ATOM 13411 OH2 TIP3 3882 4.377 -0.706 -1.474 1.00 0.00 WT1 O ATOM 13412 H1 TIP3 3882 21.307 11.622 -9.787 1.00 0.00 WT1 H ATOM 13413 H2 TIP3 3882 8.198 -10.857 24.069 1.00 0.00 WT1 H ATOM 13414 OH2 TIP3 3883 5.118 4.579 -1.042 1.00 0.00 WT1 O ATOM 13415 H1 TIP3 3883 -13.352 2.046 -0.023 1.00 0.00 WT1 H ATOM 13416 H2 TIP3 3883 -7.656 -0.061 -1.182 1.00 0.00 WT1 H ATOM 13417 OH2 TIP3 3885 5.554 2.226 -2.890 1.00 0.00 WT1 O ATOM 13418 H1 TIP3 3885 3.073 -10.181 -9.575 1.00 0.00 WT1 H ATOM 13419 H2 TIP3 3885 -6.948 2.371 -5.409 1.00 0.00 WT1 H ATOM 13420 OH2 TIP3 3886 6.675 3.579 6.884 1.00 0.00 WT1 O ATOM 13421 H1 TIP3 3886 6.623 7.317 9.695 1.00 0.00 WT1 H ATOM 13422 H2 TIP3 3886 4.282 6.806 2.756 1.00 0.00 WT1 H ATOM 13423 OH2 TIP3 3888 -1.110 -1.891 0.912 1.00 0.00 WT1 O ATOM 13424 H1 TIP3 3888 -11.913 -8.950 -5.254 1.00 0.00 WT1 H ATOM 13425 H2 TIP3 3888 8.684 -6.727 -3.027 1.00 0.00 WT1 H ATOM 13426 OH2 TIP3 3889 3.562 -3.554 0.151 1.00 0.00 WT1 O ATOM 13427 H1 TIP3 3889 -13.799 15.415 5.476 1.00 0.00 WT1 H ATOM 13428 H2 TIP3 3889 -7.263 -27.485 -5.042 1.00 0.00 WT1 H ATOM 13429 OH2 TIP3 3890 -4.528 -5.692 8.394 1.00 0.00 WT1 O ATOM 13430 H1 TIP3 3890 2.784 9.494 18.095 1.00 0.00 WT1 H ATOM 13431 H2 TIP3 3890 -4.548 -3.688 -18.000 1.00 0.00 WT1 H ATOM 13432 OH2 TIP3 3891 1.909 0.774 5.130 1.00 0.00 WT1 O ATOM 13433 H1 TIP3 3891 -8.944 -5.399 8.519 1.00 0.00 WT1 H ATOM 13434 H2 TIP3 3891 7.018 11.333 -3.071 1.00 0.00 WT1 H ATOM 13435 OH2 TIP3 3892 -12.184 0.820 2.465 1.00 0.00 WT1 O ATOM 13436 H1 TIP3 3892 -10.949 10.124 6.374 1.00 0.00 WT1 H ATOM 13437 H2 TIP3 3892 -10.052 10.092 6.043 1.00 0.00 WT1 H ATOM 13438 OH2 TIP3 3896 3.995 -2.659 2.821 1.00 0.00 WT1 O ATOM 13439 H1 TIP3 3896 1.059 -2.221 3.132 1.00 0.00 WT1 H ATOM 13440 H2 TIP3 3896 -2.145 -0.630 5.040 1.00 0.00 WT1 H ATOM 13441 OH2 TIP3 3898 4.098 -5.034 -6.223 1.00 0.00 WT1 O ATOM 13442 H1 TIP3 3898 12.271 -2.060 -6.178 1.00 0.00 WT1 H ATOM 13443 H2 TIP3 3898 -3.828 -2.878 -6.204 1.00 0.00 WT1 H ATOM 13444 OH2 TIP3 3899 4.489 -6.587 -4.848 1.00 0.00 WT1 O ATOM 13445 H1 TIP3 3899 4.780 -7.376 -7.547 1.00 0.00 WT1 H ATOM 13446 H2 TIP3 3899 10.126 -5.048 -6.403 1.00 0.00 WT1 H ATOM 13447 OH2 TIP3 3900 -0.578 -2.312 6.747 1.00 0.00 WT1 O ATOM 13448 H1 TIP3 3900 -6.674 7.937 13.224 1.00 0.00 WT1 H ATOM 13449 H2 TIP3 3900 -14.156 1.367 -9.407 1.00 0.00 WT1 H ATOM 13450 OH2 TIP3 3903 4.865 -6.066 3.179 1.00 0.00 WT1 O ATOM 13451 H1 TIP3 3903 4.818 -6.627 1.044 1.00 0.00 WT1 H ATOM 13452 H2 TIP3 3903 26.426 9.590 1.717 1.00 0.00 WT1 H ATOM 13453 OH2 TIP3 3906 -0.968 -4.396 -9.654 1.00 0.00 WT1 O ATOM 13454 H1 TIP3 3906 -0.440 -3.742 4.457 1.00 0.00 WT1 H ATOM 13455 H2 TIP3 3906 -0.418 -3.829 4.772 1.00 0.00 WT1 H ATOM 13456 OH2 TIP3 3907 2.090 5.159 1.119 1.00 0.00 WT1 O ATOM 13457 H1 TIP3 3907 9.374 -6.038 7.914 1.00 0.00 WT1 H ATOM 13458 H2 TIP3 3907 8.529 23.679 1.491 1.00 0.00 WT1 H ATOM 13459 OH2 TIP3 3908 -7.250 1.488 2.677 1.00 0.00 WT1 O ATOM 13460 H1 TIP3 3908 5.877 6.104 20.935 1.00 0.00 WT1 H ATOM 13461 H2 TIP3 3908 -23.437 1.908 -15.765 1.00 0.00 WT1 H ATOM 13462 OH2 TIP3 3909 1.550 0.986 -0.546 1.00 0.00 WT1 O ATOM 13463 H1 TIP3 3909 -0.069 -21.977 -7.943 1.00 0.00 WT1 H ATOM 13464 H2 TIP3 3909 -2.436 8.982 -8.907 1.00 0.00 WT1 H ATOM 13465 OH2 TIP3 3910 3.076 -2.353 2.033 1.00 0.00 WT1 O ATOM 13466 H1 TIP3 3910 8.227 1.559 -12.667 1.00 0.00 WT1 H ATOM 13467 H2 TIP3 3910 7.558 9.694 -0.591 1.00 0.00 WT1 H ATOM 13468 OH2 TIP3 3912 6.734 -0.272 -1.922 1.00 0.00 WT1 O ATOM 13469 H1 TIP3 3912 -5.929 -2.761 -4.054 1.00 0.00 WT1 H ATOM 13470 H2 TIP3 3912 -4.036 0.749 3.968 1.00 0.00 WT1 H ATOM 13471 OH2 TIP3 3913 0.328 -2.550 4.003 1.00 0.00 WT1 O ATOM 13472 H1 TIP3 3913 21.862 -5.279 -15.892 1.00 0.00 WT1 H ATOM 13473 H2 TIP3 3913 -24.534 7.594 24.722 1.00 0.00 WT1 H ATOM 13474 OH2 TIP3 3916 -1.537 5.865 1.204 1.00 0.00 WT1 O ATOM 13475 H1 TIP3 3916 14.273 0.884 -10.611 1.00 0.00 WT1 H ATOM 13476 H2 TIP3 3916 -21.802 -16.930 6.802 1.00 0.00 WT1 H ATOM 13477 OH2 TIP3 3918 -1.134 5.603 1.834 1.00 0.00 WT1 O ATOM 13478 H1 TIP3 3918 4.014 8.726 0.022 1.00 0.00 WT1 H ATOM 13479 H2 TIP3 3918 -0.801 -10.461 6.200 1.00 0.00 WT1 H ATOM 13480 OH2 TIP3 3919 -4.077 -5.611 1.204 1.00 0.00 WT1 O ATOM 13481 H1 TIP3 3919 -7.844 0.686 3.553 1.00 0.00 WT1 H ATOM 13482 H2 TIP3 3919 -2.319 -22.273 10.765 1.00 0.00 WT1 H ATOM 13483 OH2 TIP3 3924 -1.238 1.865 3.628 1.00 0.00 WT1 O ATOM 13484 H1 TIP3 3924 7.707 -18.376 28.740 1.00 0.00 WT1 H ATOM 13485 H2 TIP3 3924 24.879 8.060 -14.887 1.00 0.00 WT1 H ATOM 13486 OH2 TIP3 3925 -1.045 1.538 -2.368 1.00 0.00 WT1 O ATOM 13487 H1 TIP3 3925 2.215 6.575 4.773 1.00 0.00 WT1 H ATOM 13488 H2 TIP3 3925 0.643 7.341 -3.919 1.00 0.00 WT1 H ATOM 13489 OH2 TIP3 3926 -2.874 2.987 -4.901 1.00 0.00 WT1 O ATOM 13490 H1 TIP3 3926 -4.226 14.590 -2.113 1.00 0.00 WT1 H ATOM 13491 H2 TIP3 3926 -6.523 -6.767 0.608 1.00 0.00 WT1 H ATOM 13492 OH2 TIP3 3928 0.148 2.033 -0.508 1.00 0.00 WT1 O ATOM 13493 H1 TIP3 3928 -6.473 5.745 9.766 1.00 0.00 WT1 H ATOM 13494 H2 TIP3 3928 -12.429 -7.098 -14.516 1.00 0.00 WT1 H ATOM 13495 OH2 TIP3 3929 4.156 3.223 1.546 1.00 0.00 WT1 O ATOM 13496 H1 TIP3 3929 3.629 -2.569 -9.350 1.00 0.00 WT1 H ATOM 13497 H2 TIP3 3929 6.441 6.212 8.642 1.00 0.00 WT1 H ATOM 13498 OH2 TIP3 3930 -1.488 -1.436 -0.205 1.00 0.00 WT1 O ATOM 13499 H1 TIP3 3930 4.027 -18.593 5.196 1.00 0.00 WT1 H ATOM 13500 H2 TIP3 3930 8.905 -4.100 -0.858 1.00 0.00 WT1 H ATOM 13501 OH2 TIP3 3931 2.363 2.798 -2.512 1.00 0.00 WT1 O ATOM 13502 H1 TIP3 3931 -1.561 2.085 -5.853 1.00 0.00 WT1 H ATOM 13503 H2 TIP3 3931 8.191 -4.330 -7.139 1.00 0.00 WT1 H ATOM 13504 OH2 TIP3 3932 3.810 6.333 -5.101 1.00 0.00 WT1 O ATOM 13505 H1 TIP3 3932 16.823 -7.683 -25.220 1.00 0.00 WT1 H ATOM 13506 H2 TIP3 3932 14.609 -7.775 -24.212 1.00 0.00 WT1 H ATOM 13507 OH2 TIP3 3933 -2.538 2.587 1.566 1.00 0.00 WT1 O ATOM 13508 H1 TIP3 3933 -8.210 20.360 1.544 1.00 0.00 WT1 H ATOM 13509 H2 TIP3 3933 0.042 -6.072 4.238 1.00 0.00 WT1 H ATOM 13510 OH2 TIP3 3934 2.017 3.683 2.592 1.00 0.00 WT1 O ATOM 13511 H1 TIP3 3934 4.339 15.180 18.842 1.00 0.00 WT1 H ATOM 13512 H2 TIP3 3934 -1.816 -12.561 3.778 1.00 0.00 WT1 H ATOM 13513 OH2 TIP3 3935 8.515 -3.894 -3.489 1.00 0.00 WT1 O ATOM 13514 H1 TIP3 3935 -1.290 5.933 -10.777 1.00 0.00 WT1 H ATOM 13515 H2 TIP3 3935 6.095 -3.010 -7.148 1.00 0.00 WT1 H ATOM 13516 OH2 TIP3 3938 4.301 -0.357 -2.065 1.00 0.00 WT1 O ATOM 13517 H1 TIP3 3938 -20.745 -9.309 -35.564 1.00 0.00 WT1 H ATOM 13518 H2 TIP3 3938 8.395 24.818 -9.857 1.00 0.00 WT1 H ATOM 13519 OH2 TIP3 3943 1.227 -3.163 1.217 1.00 0.00 WT1 O ATOM 13520 H1 TIP3 3943 -4.781 -2.459 18.338 1.00 0.00 WT1 H ATOM 13521 H2 TIP3 3943 1.879 9.170 -17.892 1.00 0.00 WT1 H ATOM 13522 OH2 TIP3 3949 -0.287 -4.382 -1.245 1.00 0.00 WT1 O ATOM 13523 H1 TIP3 3949 8.471 -1.263 3.617 1.00 0.00 WT1 H ATOM 13524 H2 TIP3 3949 -3.751 -5.496 -3.524 1.00 0.00 WT1 H ATOM 13525 OH2 TIP3 3950 5.642 -1.244 -2.359 1.00 0.00 WT1 O ATOM 13526 H1 TIP3 3950 3.581 -0.278 2.575 1.00 0.00 WT1 H ATOM 13527 H2 TIP3 3950 1.448 0.058 7.966 1.00 0.00 WT1 H ATOM 13528 OH2 TIP3 3951 2.136 1.637 0.082 1.00 0.00 WT1 O ATOM 13529 H1 TIP3 3951 -5.938 -12.100 -0.382 1.00 0.00 WT1 H ATOM 13530 H2 TIP3 3951 0.209 -0.371 1.132 1.00 0.00 WT1 H ATOM 13531 OH2 TIP3 3953 3.822 -1.294 1.493 1.00 0.00 WT1 O ATOM 13532 H1 TIP3 3953 8.636 0.799 13.893 1.00 0.00 WT1 H ATOM 13533 H2 TIP3 3953 3.195 -9.288 -7.832 1.00 0.00 WT1 H ATOM 13534 OH2 TIP3 3954 -0.158 1.212 -1.978 1.00 0.00 WT1 O ATOM 13535 H1 TIP3 3954 5.381 -6.323 6.338 1.00 0.00 WT1 H ATOM 13536 H2 TIP3 3954 6.824 1.741 0.876 1.00 0.00 WT1 H ATOM 13537 OH2 TIP3 3955 5.242 -0.004 -0.452 1.00 0.00 WT1 O ATOM 13538 H1 TIP3 3955 22.680 -17.347 -10.077 1.00 0.00 WT1 H ATOM 13539 H2 TIP3 3955 3.335 4.020 15.306 1.00 0.00 WT1 H ATOM 13540 OH2 TIP3 3956 3.738 1.763 -1.003 1.00 0.00 WT1 O ATOM 13541 H1 TIP3 3956 5.294 1.434 14.824 1.00 0.00 WT1 H ATOM 13542 H2 TIP3 3956 -12.245 -7.816 -3.419 1.00 0.00 WT1 H ATOM 13543 OH2 TIP3 3957 1.175 -6.565 -1.279 1.00 0.00 WT1 O ATOM 13544 H1 TIP3 3957 -5.917 -31.406 -11.676 1.00 0.00 WT1 H ATOM 13545 H2 TIP3 3957 -1.354 13.921 -11.329 1.00 0.00 WT1 H ATOM 13546 OH2 TIP3 3962 7.857 1.584 1.035 1.00 0.00 WT1 O ATOM 13547 H1 TIP3 3962 19.296 -11.781 1.351 1.00 0.00 WT1 H ATOM 13548 H2 TIP3 3962 7.020 1.836 5.795 1.00 0.00 WT1 H ATOM 13549 OH2 TIP3 3964 3.664 -3.529 3.027 1.00 0.00 WT1 O ATOM 13550 H1 TIP3 3964 5.121 -13.863 -7.697 1.00 0.00 WT1 H ATOM 13551 H2 TIP3 3964 1.339 -7.199 -2.262 1.00 0.00 WT1 H ATOM 13552 OH2 TIP3 3965 -3.414 1.964 4.496 1.00 0.00 WT1 O ATOM 13553 H1 TIP3 3965 -0.865 -1.051 -18.732 1.00 0.00 WT1 H ATOM 13554 H2 TIP3 3965 -8.578 21.617 5.501 1.00 0.00 WT1 H ATOM 13555 OH2 TIP3 3966 -8.695 7.590 -7.026 1.00 0.00 WT1 O ATOM 13556 H1 TIP3 3966 -12.154 7.575 -14.536 1.00 0.00 WT1 H ATOM 13557 H2 TIP3 3966 -9.034 12.585 -4.172 1.00 0.00 WT1 H ATOM 13558 OH2 TIP3 3967 6.149 -3.439 4.937 1.00 0.00 WT1 O ATOM 13559 H1 TIP3 3967 14.706 -18.732 14.352 1.00 0.00 WT1 H ATOM 13560 H2 TIP3 3967 -11.627 -0.718 16.694 1.00 0.00 WT1 H ATOM 13561 OH2 TIP3 3968 -0.736 -3.136 3.855 1.00 0.00 WT1 O ATOM 13562 H1 TIP3 3968 7.860 17.496 0.778 1.00 0.00 WT1 H ATOM 13563 H2 TIP3 3968 3.033 5.826 4.992 1.00 0.00 WT1 H ATOM 13564 OH2 TIP3 3971 -0.705 -3.856 -4.551 1.00 0.00 WT1 O ATOM 13565 H1 TIP3 3971 0.945 -7.701 -7.671 1.00 0.00 WT1 H ATOM 13566 H2 TIP3 3971 -3.135 -10.959 -7.820 1.00 0.00 WT1 H ATOM 13567 OH2 TIP3 3972 4.572 1.782 -3.612 1.00 0.00 WT1 O ATOM 13568 H1 TIP3 3972 -4.817 21.543 -24.166 1.00 0.00 WT1 H ATOM 13569 H2 TIP3 3972 -6.897 -20.125 -16.983 1.00 0.00 WT1 H ATOM 13570 OH2 TIP3 3973 0.910 1.830 -5.160 1.00 0.00 WT1 O ATOM 13571 H1 TIP3 3973 -20.174 16.370 -8.094 1.00 0.00 WT1 H ATOM 13572 H2 TIP3 3973 -1.499 5.031 -4.698 1.00 0.00 WT1 H ATOM 13573 OH2 TIP3 3974 1.041 4.082 3.374 1.00 0.00 WT1 O ATOM 13574 H1 TIP3 3974 18.612 7.956 9.946 1.00 0.00 WT1 H ATOM 13575 H2 TIP3 3974 1.141 -2.263 22.127 1.00 0.00 WT1 H ATOM 13576 OH2 TIP3 3975 -2.311 -1.301 4.808 1.00 0.00 WT1 O ATOM 13577 H1 TIP3 3975 8.238 1.261 3.497 1.00 0.00 WT1 H ATOM 13578 H2 TIP3 3975 10.638 16.052 5.962 1.00 0.00 WT1 H ATOM 13579 OH2 TIP3 3976 5.140 -5.310 4.313 1.00 0.00 WT1 O ATOM 13580 H1 TIP3 3976 3.317 -21.799 10.394 1.00 0.00 WT1 H ATOM 13581 H2 TIP3 3976 1.717 10.484 -2.998 1.00 0.00 WT1 H ATOM 13582 OH2 TIP3 3977 5.615 6.231 -3.090 1.00 0.00 WT1 O ATOM 13583 H1 TIP3 3977 -4.502 -7.578 4.884 1.00 0.00 WT1 H ATOM 13584 H2 TIP3 3977 5.384 20.876 -5.245 1.00 0.00 WT1 H ATOM 13585 OH2 TIP3 3978 -2.825 7.087 1.138 1.00 0.00 WT1 O ATOM 13586 H1 TIP3 3978 -8.157 -1.800 4.272 1.00 0.00 WT1 H ATOM 13587 H2 TIP3 3978 2.995 -5.207 5.757 1.00 0.00 WT1 H ATOM 13588 OH2 TIP3 3982 2.336 4.596 3.674 1.00 0.00 WT1 O ATOM 13589 H1 TIP3 3982 -41.653 3.892 -19.206 1.00 0.00 WT1 H ATOM 13590 H2 TIP3 3982 17.112 3.217 19.005 1.00 0.00 WT1 H ATOM 13591 OH2 TIP3 3983 -2.712 -8.599 -7.036 1.00 0.00 WT1 O ATOM 13592 H1 TIP3 3983 -0.272 3.881 -1.521 1.00 0.00 WT1 H ATOM 13593 H2 TIP3 3983 3.784 -8.721 -19.452 1.00 0.00 WT1 H ATOM 13594 OH2 TIP3 3985 1.513 -1.783 -1.776 1.00 0.00 WT1 O ATOM 13595 H1 TIP3 3985 14.148 -7.827 -2.487 1.00 0.00 WT1 H ATOM 13596 H2 TIP3 3985 -6.036 6.483 -1.052 1.00 0.00 WT1 H ATOM 13597 OH2 TIP3 3986 -3.992 2.891 -3.384 1.00 0.00 WT1 O ATOM 13598 H1 TIP3 3986 -8.543 26.948 -8.649 1.00 0.00 WT1 H ATOM 13599 H2 TIP3 3986 2.817 -15.018 -1.399 1.00 0.00 WT1 H ATOM 13600 OH2 TIP3 3988 4.292 -6.344 -2.779 1.00 0.00 WT1 O ATOM 13601 H1 TIP3 3988 8.587 -2.679 -0.306 1.00 0.00 WT1 H ATOM 13602 H2 TIP3 3988 -12.434 -15.169 -7.733 1.00 0.00 WT1 H ATOM 13603 OH2 TIP3 3989 -0.160 4.234 6.643 1.00 0.00 WT1 O ATOM 13604 H1 TIP3 3989 9.481 -12.284 0.894 1.00 0.00 WT1 H ATOM 13605 H2 TIP3 3989 -13.700 12.374 -6.752 1.00 0.00 WT1 H ATOM 13606 OH2 TIP3 3990 -5.163 -4.334 -0.464 1.00 0.00 WT1 O ATOM 13607 H1 TIP3 3990 -15.749 6.832 -6.953 1.00 0.00 WT1 H ATOM 13608 H2 TIP3 3990 -5.791 -1.317 4.154 1.00 0.00 WT1 H ATOM 13609 OH2 TIP3 3991 -1.304 -1.386 2.461 1.00 0.00 WT1 O ATOM 13610 H1 TIP3 3991 -12.493 -10.254 10.444 1.00 0.00 WT1 H ATOM 13611 H2 TIP3 3991 -4.265 -9.127 4.819 1.00 0.00 WT1 H ATOM 13612 OH2 TIP3 3992 0.896 1.140 1.814 1.00 0.00 WT1 O ATOM 13613 H1 TIP3 3992 2.314 -6.076 -18.445 1.00 0.00 WT1 H ATOM 13614 H2 TIP3 3992 -8.216 9.820 27.883 1.00 0.00 WT1 H ATOM 13615 OH2 TIP3 3993 5.825 -2.047 0.414 1.00 0.00 WT1 O ATOM 13616 H1 TIP3 3993 -13.429 -0.900 -3.382 1.00 0.00 WT1 H ATOM 13617 H2 TIP3 3993 -2.693 -0.818 -2.151 1.00 0.00 WT1 H ATOM 13618 OH2 TIP3 3995 -10.884 1.937 1.062 1.00 0.00 WT1 O ATOM 13619 H1 TIP3 3995 11.277 7.268 3.696 1.00 0.00 WT1 H ATOM 13620 H2 TIP3 3995 -20.622 2.141 1.166 1.00 0.00 WT1 H ATOM 13621 OH2 TIP3 3996 8.763 -1.899 -4.831 1.00 0.00 WT1 O ATOM 13622 H1 TIP3 3996 10.624 -4.584 -0.979 1.00 0.00 WT1 H ATOM 13623 H2 TIP3 3996 23.478 7.633 3.600 1.00 0.00 WT1 H ATOM 13624 OH2 TIP3 3997 -0.507 0.794 3.962 1.00 0.00 WT1 O ATOM 13625 H1 TIP3 3997 -14.051 9.677 -7.339 1.00 0.00 WT1 H ATOM 13626 H2 TIP3 3997 13.712 -2.233 5.124 1.00 0.00 WT1 H ATOM 13627 OH2 TIP3 3998 -0.723 -2.515 0.279 1.00 0.00 WT1 O ATOM 13628 H1 TIP3 3998 -6.611 5.993 -12.379 1.00 0.00 WT1 H ATOM 13629 H2 TIP3 3998 17.003 7.333 -18.117 1.00 0.00 WT1 H ATOM 13630 OH2 TIP3 3999 6.194 -4.814 -2.138 1.00 0.00 WT1 O ATOM 13631 H1 TIP3 3999 8.239 2.340 -6.294 1.00 0.00 WT1 H ATOM 13632 H2 TIP3 3999 -5.539 15.302 16.238 1.00 0.00 WT1 H ATOM 13633 OH2 TIP3 4000 2.409 -9.564 5.143 1.00 0.00 WT1 O ATOM 13634 H1 TIP3 4000 22.719 -1.938 -9.990 1.00 0.00 WT1 H ATOM 13635 H2 TIP3 4000 3.709 -9.294 0.855 1.00 0.00 WT1 H ATOM 13636 OH2 TIP3 4002 1.226 -4.709 9.160 1.00 0.00 WT1 O ATOM 13637 H1 TIP3 4002 6.701 -2.953 11.222 1.00 0.00 WT1 H ATOM 13638 H2 TIP3 4002 3.653 -4.786 11.769 1.00 0.00 WT1 H ATOM 13639 OH2 TIP3 4004 0.854 0.658 -4.202 1.00 0.00 WT1 O ATOM 13640 H1 TIP3 4004 2.817 -9.964 -7.665 1.00 0.00 WT1 H ATOM 13641 H2 TIP3 4004 10.138 4.417 -7.997 1.00 0.00 WT1 H ATOM 13642 OH2 TIP3 4005 1.451 2.054 6.949 1.00 0.00 WT1 O ATOM 13643 H1 TIP3 4005 27.428 9.844 -10.607 1.00 0.00 WT1 H ATOM 13644 H2 TIP3 4005 -0.842 -6.678 21.916 1.00 0.00 WT1 H ATOM 13645 OH2 TIP3 4006 5.576 1.057 0.840 1.00 0.00 WT1 O ATOM 13646 H1 TIP3 4006 19.234 4.540 2.534 1.00 0.00 WT1 H ATOM 13647 H2 TIP3 4006 -13.397 7.111 13.118 1.00 0.00 WT1 H ATOM 13648 OH2 TIP3 4007 7.275 -2.191 6.530 1.00 0.00 WT1 O ATOM 13649 H1 TIP3 4007 0.351 -16.875 11.000 1.00 0.00 WT1 H ATOM 13650 H2 TIP3 4007 -17.694 -3.621 -27.126 1.00 0.00 WT1 H ATOM 13651 OH2 TIP3 4008 -4.415 -2.702 -7.180 1.00 0.00 WT1 O ATOM 13652 H1 TIP3 4008 -20.530 -14.441 -17.455 1.00 0.00 WT1 H ATOM 13653 H2 TIP3 4008 -1.916 -12.935 -16.253 1.00 0.00 WT1 H ATOM 13654 OH2 TIP3 4009 -5.137 1.436 1.384 1.00 0.00 WT1 O ATOM 13655 H1 TIP3 4009 0.782 -7.404 1.729 1.00 0.00 WT1 H ATOM 13656 H2 TIP3 4009 2.412 8.782 17.350 1.00 0.00 WT1 H ATOM 13657 OH2 TIP3 4010 -7.303 3.802 2.956 1.00 0.00 WT1 O ATOM 13658 H1 TIP3 4010 9.009 18.103 4.982 1.00 0.00 WT1 H ATOM 13659 H2 TIP3 4010 -8.573 -21.759 14.360 1.00 0.00 WT1 H ATOM 13660 OH2 TIP3 4011 -6.656 -0.339 5.524 1.00 0.00 WT1 O ATOM 13661 H1 TIP3 4011 -10.920 -0.358 -23.512 1.00 0.00 WT1 H ATOM 13662 H2 TIP3 4011 10.943 11.056 1.393 1.00 0.00 WT1 H ATOM 13663 OH2 TIP3 4012 11.412 -2.831 -2.936 1.00 0.00 WT1 O ATOM 13664 H1 TIP3 4012 -3.976 -0.789 4.870 1.00 0.00 WT1 H ATOM 13665 H2 TIP3 4012 4.614 -0.274 2.006 1.00 0.00 WT1 H ATOM 13666 OH2 TIP3 4013 -1.717 -1.977 5.202 1.00 0.00 WT1 O ATOM 13667 H1 TIP3 4013 -1.460 -6.616 -0.532 1.00 0.00 WT1 H ATOM 13668 H2 TIP3 4013 -8.270 -8.111 -7.538 1.00 0.00 WT1 H ATOM 13669 OH2 TIP3 4014 0.847 -0.322 -2.833 1.00 0.00 WT1 O ATOM 13670 H1 TIP3 4014 -10.644 -25.557 6.014 1.00 0.00 WT1 H ATOM 13671 H2 TIP3 4014 10.118 10.673 17.363 1.00 0.00 WT1 H ATOM 13672 OH2 TIP3 4015 -1.343 -1.590 -4.284 1.00 0.00 WT1 O ATOM 13673 H1 TIP3 4015 2.179 0.813 1.349 1.00 0.00 WT1 H ATOM 13674 H2 TIP3 4015 -1.554 -1.525 -3.670 1.00 0.00 WT1 H ATOM 13675 OH2 TIP3 4016 1.111 0.622 -8.334 1.00 0.00 WT1 O ATOM 13676 H1 TIP3 4016 -3.467 -5.293 -5.449 1.00 0.00 WT1 H ATOM 13677 H2 TIP3 4016 -11.107 -18.244 0.479 1.00 0.00 WT1 H ATOM 13678 OH2 TIP3 4017 -6.212 0.107 5.276 1.00 0.00 WT1 O ATOM 13679 H1 TIP3 4017 5.311 5.255 -14.354 1.00 0.00 WT1 H ATOM 13680 H2 TIP3 4017 9.673 -4.590 -3.281 1.00 0.00 WT1 H ATOM 13681 OH2 TIP3 4018 -1.091 0.460 -1.220 1.00 0.00 WT1 O ATOM 13682 H1 TIP3 4018 7.936 13.119 -4.265 1.00 0.00 WT1 H ATOM 13683 H2 TIP3 4018 0.802 -4.373 -2.274 1.00 0.00 WT1 H ATOM 13684 OH2 TIP3 4019 0.699 2.336 1.124 1.00 0.00 WT1 O ATOM 13685 H1 TIP3 4019 -10.314 -11.059 4.899 1.00 0.00 WT1 H ATOM 13686 H2 TIP3 4019 6.664 6.559 -16.876 1.00 0.00 WT1 H ATOM 13687 OH2 TIP3 4020 -0.597 4.531 -4.691 1.00 0.00 WT1 O ATOM 13688 H1 TIP3 4020 5.761 3.756 -4.688 1.00 0.00 WT1 H ATOM 13689 H2 TIP3 4020 -0.493 6.916 -6.363 1.00 0.00 WT1 H ATOM 13690 OH2 TIP3 4021 -1.754 4.149 2.846 1.00 0.00 WT1 O ATOM 13691 H1 TIP3 4021 1.807 -2.050 2.599 1.00 0.00 WT1 H ATOM 13692 H2 TIP3 4021 -2.952 0.521 9.565 1.00 0.00 WT1 H ATOM 13693 OH2 TIP3 4022 9.667 8.177 2.861 1.00 0.00 WT1 O ATOM 13694 H1 TIP3 4022 0.603 28.543 1.988 1.00 0.00 WT1 H ATOM 13695 H2 TIP3 4022 21.390 -8.710 1.020 1.00 0.00 WT1 H ATOM 13696 OH2 TIP3 4023 -4.684 5.265 1.693 1.00 0.00 WT1 O ATOM 13697 H1 TIP3 4023 17.813 -0.546 -12.691 1.00 0.00 WT1 H ATOM 13698 H2 TIP3 4023 -6.693 5.889 5.770 1.00 0.00 WT1 H ATOM 13699 OH2 TIP3 4025 -0.951 0.769 3.633 1.00 0.00 WT1 O ATOM 13700 H1 TIP3 4025 -17.819 -10.212 -15.722 1.00 0.00 WT1 H ATOM 13701 H2 TIP3 4025 -13.654 -6.521 -9.282 1.00 0.00 WT1 H ATOM 13702 OH2 TIP3 4026 -6.048 -4.893 -7.377 1.00 0.00 WT1 O ATOM 13703 H1 TIP3 4026 7.787 3.663 -19.277 1.00 0.00 WT1 H ATOM 13704 H2 TIP3 4026 -2.537 -24.506 2.621 1.00 0.00 WT1 H ATOM 13705 OH2 TIP3 4027 -3.217 -8.664 -1.039 1.00 0.00 WT1 O ATOM 13706 H1 TIP3 4027 -5.680 0.363 -4.556 1.00 0.00 WT1 H ATOM 13707 H2 TIP3 4027 -3.252 -3.813 -1.816 1.00 0.00 WT1 H ATOM 13708 OH2 TIP3 4028 -0.263 -1.823 -0.000 1.00 0.00 WT1 O ATOM 13709 H1 TIP3 4028 -16.704 -12.971 -7.778 1.00 0.00 WT1 H ATOM 13710 H2 TIP3 4028 -15.257 -12.399 -7.741 1.00 0.00 WT1 H ATOM 13711 OH2 TIP3 4029 2.129 9.044 5.665 1.00 0.00 WT1 O ATOM 13712 H1 TIP3 4029 -15.153 5.519 0.780 1.00 0.00 WT1 H ATOM 13713 H2 TIP3 4029 -14.888 16.032 2.271 1.00 0.00 WT1 H ATOM 13714 OH2 TIP3 4030 -0.542 -3.793 6.497 1.00 0.00 WT1 O ATOM 13715 H1 TIP3 4030 21.654 -23.531 20.157 1.00 0.00 WT1 H ATOM 13716 H2 TIP3 4030 -17.795 1.561 3.167 1.00 0.00 WT1 H ATOM 13717 OH2 TIP3 4031 -4.790 -0.189 0.638 1.00 0.00 WT1 O ATOM 13718 H1 TIP3 4031 -15.182 5.436 -0.268 1.00 0.00 WT1 H ATOM 13719 H2 TIP3 4031 23.961 -12.665 5.963 1.00 0.00 WT1 H ATOM 13720 OH2 TIP3 4032 -0.266 -7.048 -0.575 1.00 0.00 WT1 O ATOM 13721 H1 TIP3 4032 13.723 -18.729 -10.251 1.00 0.00 WT1 H ATOM 13722 H2 TIP3 4032 -4.556 -11.469 -18.769 1.00 0.00 WT1 H ATOM 13723 OH2 TIP3 4033 -4.669 1.599 -0.447 1.00 0.00 WT1 O ATOM 13724 H1 TIP3 4033 -0.227 8.471 -2.905 1.00 0.00 WT1 H ATOM 13725 H2 TIP3 4033 6.291 9.363 -12.188 1.00 0.00 WT1 H ATOM 13726 OH2 TIP3 4034 -9.031 -4.372 -8.792 1.00 0.00 WT1 O ATOM 13727 H1 TIP3 4034 -5.574 -8.669 -1.518 1.00 0.00 WT1 H ATOM 13728 H2 TIP3 4034 -8.563 -2.639 -0.557 1.00 0.00 WT1 H ATOM 13729 OH2 TIP3 4035 -1.562 1.217 1.685 1.00 0.00 WT1 O ATOM 13730 H1 TIP3 4035 -4.629 7.582 -2.120 1.00 0.00 WT1 H ATOM 13731 H2 TIP3 4035 1.726 -9.663 -17.749 1.00 0.00 WT1 H ATOM 13732 OH2 TIP3 4036 2.334 2.303 -0.320 1.00 0.00 WT1 O ATOM 13733 H1 TIP3 4036 14.118 6.661 -14.584 1.00 0.00 WT1 H ATOM 13734 H2 TIP3 4036 20.881 5.109 -11.762 1.00 0.00 WT1 H ATOM 13735 OH2 TIP3 4037 1.451 9.573 -1.502 1.00 0.00 WT1 O ATOM 13736 H1 TIP3 4037 12.605 11.166 -19.871 1.00 0.00 WT1 H ATOM 13737 H2 TIP3 4037 17.287 -31.798 -23.259 1.00 0.00 WT1 H ATOM 13738 OH2 TIP3 4039 -2.732 7.422 -3.538 1.00 0.00 WT1 O ATOM 13739 H1 TIP3 4039 -0.687 -5.720 10.769 1.00 0.00 WT1 H ATOM 13740 H2 TIP3 4039 -4.106 7.071 -4.813 1.00 0.00 WT1 H ATOM 13741 OH2 TIP3 4040 4.051 1.769 4.768 1.00 0.00 WT1 O ATOM 13742 H1 TIP3 4040 -0.300 -11.700 -3.000 1.00 0.00 WT1 H ATOM 13743 H2 TIP3 4040 8.004 -11.144 6.468 1.00 0.00 WT1 H ATOM 13744 OH2 TIP3 4041 -2.594 0.472 7.596 1.00 0.00 WT1 O ATOM 13745 H1 TIP3 4041 -13.336 -7.508 -15.908 1.00 0.00 WT1 H ATOM 13746 H2 TIP3 4041 14.974 -27.767 13.673 1.00 0.00 WT1 H ATOM 13747 OH2 TIP3 4042 4.724 2.629 -5.854 1.00 0.00 WT1 O ATOM 13748 H1 TIP3 4042 4.120 3.371 4.284 1.00 0.00 WT1 H ATOM 13749 H2 TIP3 4042 -11.734 7.730 13.707 1.00 0.00 WT1 H ATOM 13750 OH2 TIP3 4043 -6.335 3.180 -0.508 1.00 0.00 WT1 O ATOM 13751 H1 TIP3 4043 -2.896 -5.852 7.068 1.00 0.00 WT1 H ATOM 13752 H2 TIP3 4043 -9.652 6.203 2.273 1.00 0.00 WT1 H ATOM 13753 OH2 TIP3 4044 -0.742 -0.743 -1.776 1.00 0.00 WT1 O ATOM 13754 H1 TIP3 4044 -1.870 5.847 9.258 1.00 0.00 WT1 H ATOM 13755 H2 TIP3 4044 -1.035 14.306 0.281 1.00 0.00 WT1 H ATOM 13756 OH2 TIP3 4045 -1.195 -0.787 0.855 1.00 0.00 WT1 O ATOM 13757 H1 TIP3 4045 6.543 3.973 8.996 1.00 0.00 WT1 H ATOM 13758 H2 TIP3 4045 -1.496 -5.667 -7.677 1.00 0.00 WT1 H ATOM 13759 OH2 TIP3 4046 1.595 -4.184 -8.895 1.00 0.00 WT1 O ATOM 13760 H1 TIP3 4046 1.932 -0.976 2.312 1.00 0.00 WT1 H ATOM 13761 H2 TIP3 4046 -4.405 -21.672 -1.674 1.00 0.00 WT1 H ATOM 13762 OH2 TIP3 4049 -1.940 -1.707 -0.907 1.00 0.00 WT1 O ATOM 13763 H1 TIP3 4049 -4.832 -21.749 -0.839 1.00 0.00 WT1 H ATOM 13764 H2 TIP3 4049 9.274 10.181 -3.716 1.00 0.00 WT1 H ATOM 13765 OH2 TIP3 4050 -3.990 -1.593 -1.841 1.00 0.00 WT1 O ATOM 13766 H1 TIP3 4050 -22.033 -22.518 -2.639 1.00 0.00 WT1 H ATOM 13767 H2 TIP3 4050 -25.183 18.663 -3.913 1.00 0.00 WT1 H ATOM 13768 OH2 TIP3 4052 -7.168 4.350 4.844 1.00 0.00 WT1 O ATOM 13769 H1 TIP3 4052 -0.424 -6.330 -23.797 1.00 0.00 WT1 H ATOM 13770 H2 TIP3 4052 -3.133 -2.958 -17.798 1.00 0.00 WT1 H ATOM 13771 OH2 TIP3 4053 -0.669 -0.282 7.162 1.00 0.00 WT1 O ATOM 13772 H1 TIP3 4053 -10.723 -0.908 9.224 1.00 0.00 WT1 H ATOM 13773 H2 TIP3 4053 12.795 3.115 -6.341 1.00 0.00 WT1 H ATOM 13774 OH2 TIP3 4054 -3.726 -0.216 -3.776 1.00 0.00 WT1 O ATOM 13775 H1 TIP3 4054 26.151 -5.008 -5.742 1.00 0.00 WT1 H ATOM 13776 H2 TIP3 4054 6.174 -14.454 -8.668 1.00 0.00 WT1 H ATOM 13777 OH2 TIP3 4055 0.033 -0.639 4.233 1.00 0.00 WT1 O ATOM 13778 H1 TIP3 4055 3.590 -10.663 -5.799 1.00 0.00 WT1 H ATOM 13779 H2 TIP3 4055 3.103 -2.469 -9.542 1.00 0.00 WT1 H ATOM 13780 OH2 TIP3 4056 -7.376 6.811 -4.523 1.00 0.00 WT1 O ATOM 13781 H1 TIP3 4056 -24.502 -10.107 -6.068 1.00 0.00 WT1 H ATOM 13782 H2 TIP3 4056 17.983 -13.515 -4.847 1.00 0.00 WT1 H ATOM 13783 OH2 TIP3 4057 8.640 -4.817 -3.066 1.00 0.00 WT1 O ATOM 13784 H1 TIP3 4057 -2.847 -1.867 -19.125 1.00 0.00 WT1 H ATOM 13785 H2 TIP3 4057 -3.070 -10.187 4.682 1.00 0.00 WT1 H ATOM 13786 OH2 TIP3 4059 -5.460 -2.667 -0.376 1.00 0.00 WT1 O ATOM 13787 H1 TIP3 4059 -7.420 -11.638 -5.349 1.00 0.00 WT1 H ATOM 13788 H2 TIP3 4059 -13.741 -4.389 6.596 1.00 0.00 WT1 H ATOM 13789 OH2 TIP3 4060 3.595 4.484 1.844 1.00 0.00 WT1 O ATOM 13790 H1 TIP3 4060 0.457 18.556 2.961 1.00 0.00 WT1 H ATOM 13791 H2 TIP3 4060 3.266 -2.650 -4.824 1.00 0.00 WT1 H ATOM 13792 OH2 TIP3 4061 1.077 -3.412 0.172 1.00 0.00 WT1 O ATOM 13793 H1 TIP3 4061 3.361 -19.175 -9.436 1.00 0.00 WT1 H ATOM 13794 H2 TIP3 4061 8.072 26.385 3.209 1.00 0.00 WT1 H ATOM 13795 OH2 TIP3 4062 1.634 2.884 7.492 1.00 0.00 WT1 O ATOM 13796 H1 TIP3 4062 2.125 -2.539 -15.593 1.00 0.00 WT1 H ATOM 13797 H2 TIP3 4062 15.451 0.242 -6.833 1.00 0.00 WT1 H ATOM 13798 OH2 TIP3 4064 -2.132 -0.195 5.796 1.00 0.00 WT1 O ATOM 13799 H1 TIP3 4064 6.267 7.695 -3.699 1.00 0.00 WT1 H ATOM 13800 H2 TIP3 4064 -5.709 0.967 17.228 1.00 0.00 WT1 H ATOM 13801 OH2 TIP3 4065 0.632 -9.017 4.960 1.00 0.00 WT1 O ATOM 13802 H1 TIP3 4065 3.866 -6.287 5.281 1.00 0.00 WT1 H ATOM 13803 H2 TIP3 4065 1.374 -10.198 9.896 1.00 0.00 WT1 H ATOM 13804 OH2 TIP3 4067 4.818 -1.617 -0.998 1.00 0.00 WT1 O ATOM 13805 H1 TIP3 4067 -21.801 12.370 -1.632 1.00 0.00 WT1 H ATOM 13806 H2 TIP3 4067 32.315 5.020 21.172 1.00 0.00 WT1 H ATOM 13807 OH2 TIP3 4068 -1.123 6.329 1.755 1.00 0.00 WT1 O ATOM 13808 H1 TIP3 4068 -6.363 11.974 8.768 1.00 0.00 WT1 H ATOM 13809 H2 TIP3 4068 3.044 -2.841 2.481 1.00 0.00 WT1 H ATOM 13810 OH2 TIP3 4069 2.911 2.292 -0.402 1.00 0.00 WT1 O ATOM 13811 H1 TIP3 4069 4.828 -4.218 -4.327 1.00 0.00 WT1 H ATOM 13812 H2 TIP3 4069 9.584 -12.463 -6.597 1.00 0.00 WT1 H ATOM 13813 OH2 TIP3 4070 5.110 1.157 1.427 1.00 0.00 WT1 O ATOM 13814 H1 TIP3 4070 21.849 -3.715 -2.316 1.00 0.00 WT1 H ATOM 13815 H2 TIP3 4070 -32.613 1.571 10.535 1.00 0.00 WT1 H ATOM 13816 OH2 TIP3 4071 -1.741 0.085 1.322 1.00 0.00 WT1 O ATOM 13817 H1 TIP3 4071 0.519 -0.753 -3.429 1.00 0.00 WT1 H ATOM 13818 H2 TIP3 4071 -5.156 0.481 12.430 1.00 0.00 WT1 H ATOM 13819 OH2 TIP3 4072 0.805 -6.402 1.407 1.00 0.00 WT1 O ATOM 13820 H1 TIP3 4072 -1.788 -10.597 0.342 1.00 0.00 WT1 H ATOM 13821 H2 TIP3 4072 -2.657 -3.497 1.107 1.00 0.00 WT1 H ATOM 13822 OH2 TIP3 4073 -0.387 -0.464 3.246 1.00 0.00 WT1 O ATOM 13823 H1 TIP3 4073 9.907 21.720 5.346 1.00 0.00 WT1 H ATOM 13824 H2 TIP3 4073 -11.204 4.517 3.456 1.00 0.00 WT1 H ATOM 13825 OH2 TIP3 4074 -3.975 -3.369 -6.351 1.00 0.00 WT1 O ATOM 13826 H1 TIP3 4074 -25.693 6.413 25.230 1.00 0.00 WT1 H ATOM 13827 H2 TIP3 4074 -0.326 29.952 -14.227 1.00 0.00 WT1 H ATOM 13828 OH2 TIP3 4075 -0.077 -6.005 -7.577 1.00 0.00 WT1 O ATOM 13829 H1 TIP3 4075 -9.425 3.422 2.040 1.00 0.00 WT1 H ATOM 13830 H2 TIP3 4075 -13.412 0.901 1.808 1.00 0.00 WT1 H ATOM 13831 OH2 TIP3 4076 -3.611 -0.965 5.719 1.00 0.00 WT1 O ATOM 13832 H1 TIP3 4076 -5.932 2.447 3.844 1.00 0.00 WT1 H ATOM 13833 H2 TIP3 4076 -9.972 6.923 25.856 1.00 0.00 WT1 H ATOM 13834 OH2 TIP3 4077 -2.436 -3.026 -2.241 1.00 0.00 WT1 O ATOM 13835 H1 TIP3 4077 -13.319 8.018 -16.369 1.00 0.00 WT1 H ATOM 13836 H2 TIP3 4077 -4.626 -7.138 -4.266 1.00 0.00 WT1 H ATOM 13837 OH2 TIP3 4078 -2.876 0.431 6.211 1.00 0.00 WT1 O ATOM 13838 H1 TIP3 4078 0.534 5.952 8.913 1.00 0.00 WT1 H ATOM 13839 H2 TIP3 4078 -2.583 -4.117 11.454 1.00 0.00 WT1 H ATOM 13840 OH2 TIP3 4079 -0.431 -1.900 2.525 1.00 0.00 WT1 O ATOM 13841 H1 TIP3 4079 11.783 5.873 17.463 1.00 0.00 WT1 H ATOM 13842 H2 TIP3 4079 -22.278 -1.786 -9.925 1.00 0.00 WT1 H ATOM 13843 OH2 TIP3 4081 3.854 -0.874 -4.595 1.00 0.00 WT1 O ATOM 13844 H1 TIP3 4081 1.684 -3.087 -10.300 1.00 0.00 WT1 H ATOM 13845 H2 TIP3 4081 0.203 0.575 4.996 1.00 0.00 WT1 H ATOM 13846 OH2 TIP3 4082 -0.760 4.531 -4.957 1.00 0.00 WT1 O ATOM 13847 H1 TIP3 4082 -3.160 9.157 -8.067 1.00 0.00 WT1 H ATOM 13848 H2 TIP3 4082 1.410 9.918 -4.965 1.00 0.00 WT1 H ATOM 13849 OH2 TIP3 4083 -0.067 -2.630 -4.708 1.00 0.00 WT1 O ATOM 13850 H1 TIP3 4083 -9.724 -0.433 3.093 1.00 0.00 WT1 H ATOM 13851 H2 TIP3 4083 12.465 -6.950 -14.595 1.00 0.00 WT1 H ATOM 13852 OH2 TIP3 4084 -10.577 4.270 -4.691 1.00 0.00 WT1 O ATOM 13853 H1 TIP3 4084 -3.686 15.589 -2.751 1.00 0.00 WT1 H ATOM 13854 H2 TIP3 4084 -4.005 -12.270 14.079 1.00 0.00 WT1 H ATOM 13855 OH2 TIP3 4087 -1.966 3.269 -5.414 1.00 0.00 WT1 O ATOM 13856 H1 TIP3 4087 -17.374 2.438 7.231 1.00 0.00 WT1 H ATOM 13857 H2 TIP3 4087 -2.332 -17.400 -8.486 1.00 0.00 WT1 H ATOM 13858 OH2 TIP3 4089 -7.158 -1.162 -4.179 1.00 0.00 WT1 O ATOM 13859 H1 TIP3 4089 -27.907 4.546 25.305 1.00 0.00 WT1 H ATOM 13860 H2 TIP3 4089 -5.026 -2.658 -10.607 1.00 0.00 WT1 H ATOM 13861 OH2 TIP3 4090 1.827 0.406 -2.684 1.00 0.00 WT1 O ATOM 13862 H1 TIP3 4090 16.661 0.188 -7.973 1.00 0.00 WT1 H ATOM 13863 H2 TIP3 4090 -7.239 -6.311 1.763 1.00 0.00 WT1 H ATOM 13864 OH2 TIP3 4092 7.792 6.495 -7.325 1.00 0.00 WT1 O ATOM 13865 H1 TIP3 4092 3.978 2.966 -5.369 1.00 0.00 WT1 H ATOM 13866 H2 TIP3 4092 3.787 16.868 -6.170 1.00 0.00 WT1 H ATOM 13867 OH2 TIP3 4093 -2.252 4.241 6.722 1.00 0.00 WT1 O ATOM 13868 H1 TIP3 4093 11.799 23.730 1.545 1.00 0.00 WT1 H ATOM 13869 H2 TIP3 4093 6.591 -14.701 -1.881 1.00 0.00 WT1 H ATOM 13870 OH2 TIP3 4095 6.109 -2.348 -0.948 1.00 0.00 WT1 O ATOM 13871 H1 TIP3 4095 4.253 -17.863 -16.603 1.00 0.00 WT1 H ATOM 13872 H2 TIP3 4095 8.132 -6.980 9.052 1.00 0.00 WT1 H ATOM 13873 OH2 TIP3 4096 -0.474 2.059 -3.461 1.00 0.00 WT1 O ATOM 13874 H1 TIP3 4096 -2.543 23.817 3.780 1.00 0.00 WT1 H ATOM 13875 H2 TIP3 4096 -7.071 -11.662 -8.722 1.00 0.00 WT1 H ATOM 13876 OH2 TIP3 4097 -1.421 12.150 0.150 1.00 0.00 WT1 O ATOM 13877 H1 TIP3 4097 -6.491 -6.366 -5.903 1.00 0.00 WT1 H ATOM 13878 H2 TIP3 4097 -2.323 16.454 2.251 1.00 0.00 WT1 H ATOM 13879 OH2 TIP3 4098 1.591 2.084 10.733 1.00 0.00 WT1 O ATOM 13880 H1 TIP3 4098 -10.739 -3.279 -1.681 1.00 0.00 WT1 H ATOM 13881 H2 TIP3 4098 14.365 13.037 3.705 1.00 0.00 WT1 H ATOM 13882 OH2 TIP3 4099 4.205 5.154 1.073 1.00 0.00 WT1 O ATOM 13883 H1 TIP3 4099 -2.370 8.479 -7.518 1.00 0.00 WT1 H ATOM 13884 H2 TIP3 4099 -1.140 0.533 -1.940 1.00 0.00 WT1 H ATOM 13885 OH2 TIP3 4100 -0.594 1.821 0.362 1.00 0.00 WT1 O ATOM 13886 H1 TIP3 4100 2.240 -14.859 4.175 1.00 0.00 WT1 H ATOM 13887 H2 TIP3 4100 -2.672 -13.442 4.450 1.00 0.00 WT1 H ATOM 13888 OH2 TIP3 4101 -7.374 8.018 2.981 1.00 0.00 WT1 O ATOM 13889 H1 TIP3 4101 -4.524 7.633 9.054 1.00 0.00 WT1 H ATOM 13890 H2 TIP3 4101 -7.377 7.419 -7.728 1.00 0.00 WT1 H ATOM 13891 OH2 TIP3 4102 1.770 -3.673 -5.803 1.00 0.00 WT1 O ATOM 13892 H1 TIP3 4102 9.637 10.564 -6.025 1.00 0.00 WT1 H ATOM 13893 H2 TIP3 4102 9.155 -8.114 1.790 1.00 0.00 WT1 H ATOM 13894 OH2 TIP3 4103 -1.448 -0.373 4.354 1.00 0.00 WT1 O ATOM 13895 H1 TIP3 4103 6.867 1.197 5.170 1.00 0.00 WT1 H ATOM 13896 H2 TIP3 4103 -2.436 -6.040 10.168 1.00 0.00 WT1 H ATOM 13897 OH2 TIP3 4104 -4.697 -0.659 4.701 1.00 0.00 WT1 O ATOM 13898 H1 TIP3 4104 5.308 1.848 10.269 1.00 0.00 WT1 H ATOM 13899 H2 TIP3 4104 -6.029 -4.329 3.512 1.00 0.00 WT1 H ATOM 13900 OH2 TIP3 4106 -3.847 1.734 4.785 1.00 0.00 WT1 O ATOM 13901 H1 TIP3 4106 -8.746 -5.409 -4.156 1.00 0.00 WT1 H ATOM 13902 H2 TIP3 4106 -8.157 -3.252 -1.006 1.00 0.00 WT1 H ATOM 13903 OH2 TIP3 4109 -5.092 -3.922 -4.155 1.00 0.00 WT1 O ATOM 13904 H1 TIP3 4109 -16.718 0.413 9.217 1.00 0.00 WT1 H ATOM 13905 H2 TIP3 4109 0.572 3.642 17.650 1.00 0.00 WT1 H ATOM 13906 OH2 TIP3 4110 7.457 4.773 3.463 1.00 0.00 WT1 O ATOM 13907 H1 TIP3 4110 3.263 -6.495 4.513 1.00 0.00 WT1 H ATOM 13908 H2 TIP3 4110 -5.084 -3.822 5.204 1.00 0.00 WT1 H ATOM 13909 OH2 TIP3 4112 0.844 -8.065 3.526 1.00 0.00 WT1 O ATOM 13910 H1 TIP3 4112 20.043 -7.485 1.753 1.00 0.00 WT1 H ATOM 13911 H2 TIP3 4112 -2.348 -9.026 5.319 1.00 0.00 WT1 H ATOM 13912 OH2 TIP3 4113 1.166 -3.050 2.950 1.00 0.00 WT1 O ATOM 13913 H1 TIP3 4113 -6.751 -35.018 -0.294 1.00 0.00 WT1 H ATOM 13914 H2 TIP3 4113 4.386 11.486 4.856 1.00 0.00 WT1 H ATOM 13915 OH2 TIP3 4114 0.073 -3.289 -2.322 1.00 0.00 WT1 O ATOM 13916 H1 TIP3 4114 1.834 -3.090 2.143 1.00 0.00 WT1 H ATOM 13917 H2 TIP3 4114 5.010 0.638 -2.360 1.00 0.00 WT1 H ATOM 13918 OH2 TIP3 4115 -1.017 2.801 -0.305 1.00 0.00 WT1 O ATOM 13919 H1 TIP3 4115 1.554 -21.097 7.619 1.00 0.00 WT1 H ATOM 13920 H2 TIP3 4115 3.077 4.528 -2.060 1.00 0.00 WT1 H ATOM 13921 OH2 TIP3 4116 -0.101 -0.075 -1.360 1.00 0.00 WT1 O ATOM 13922 H1 TIP3 4116 0.900 2.047 -1.966 1.00 0.00 WT1 H ATOM 13923 H2 TIP3 4116 4.514 14.602 -5.690 1.00 0.00 WT1 H ATOM 13924 OH2 TIP3 4117 -1.012 0.188 -10.491 1.00 0.00 WT1 O ATOM 13925 H1 TIP3 4117 -29.214 8.600 -4.110 1.00 0.00 WT1 H ATOM 13926 H2 TIP3 4117 -8.010 1.774 -8.400 1.00 0.00 WT1 H ATOM 13927 OH2 TIP3 4118 1.677 -1.569 -3.153 1.00 0.00 WT1 O ATOM 13928 H1 TIP3 4118 2.497 11.347 -5.723 1.00 0.00 WT1 H ATOM 13929 H2 TIP3 4118 19.967 11.157 4.205 1.00 0.00 WT1 H ATOM 13930 OH2 TIP3 4119 2.904 -3.905 7.031 1.00 0.00 WT1 O ATOM 13931 H1 TIP3 4119 -9.083 11.667 19.647 1.00 0.00 WT1 H ATOM 13932 H2 TIP3 4119 11.850 -16.798 18.392 1.00 0.00 WT1 H ATOM 13933 OH2 TIP3 4120 -1.949 -5.158 -1.447 1.00 0.00 WT1 O ATOM 13934 H1 TIP3 4120 10.430 0.003 -4.898 1.00 0.00 WT1 H ATOM 13935 H2 TIP3 4120 -14.943 -10.165 2.505 1.00 0.00 WT1 H ATOM 13936 OH2 TIP3 4121 2.351 4.223 0.258 1.00 0.00 WT1 O ATOM 13937 H1 TIP3 4121 5.049 -7.441 0.178 1.00 0.00 WT1 H ATOM 13938 H2 TIP3 4121 -6.204 -9.794 3.092 1.00 0.00 WT1 H ATOM 13939 OH2 TIP3 4123 0.495 -4.461 4.949 1.00 0.00 WT1 O ATOM 13940 H1 TIP3 4123 -9.154 0.055 9.549 1.00 0.00 WT1 H ATOM 13941 H2 TIP3 4123 13.680 -8.429 -0.699 1.00 0.00 WT1 H ATOM 13942 OH2 TIP3 4125 7.923 6.711 -1.316 1.00 0.00 WT1 O ATOM 13943 H1 TIP3 4125 -9.376 5.465 -15.736 1.00 0.00 WT1 H ATOM 13944 H2 TIP3 4125 22.917 -9.943 9.386 1.00 0.00 WT1 H ATOM 13945 OH2 TIP3 4130 5.019 -5.533 0.713 1.00 0.00 WT1 O ATOM 13946 H1 TIP3 4130 -4.976 -18.760 -6.176 1.00 0.00 WT1 H ATOM 13947 H2 TIP3 4130 11.028 -0.744 8.996 1.00 0.00 WT1 H ATOM 13948 OH2 TIP3 4131 -7.507 8.541 -3.148 1.00 0.00 WT1 O ATOM 13949 H1 TIP3 4131 -7.762 -3.037 -8.629 1.00 0.00 WT1 H ATOM 13950 H2 TIP3 4131 -11.718 18.291 -13.218 1.00 0.00 WT1 H ATOM 13951 OH2 TIP3 4132 -1.116 -1.500 0.500 1.00 0.00 WT1 O ATOM 13952 H1 TIP3 4132 -12.194 -1.436 18.829 1.00 0.00 WT1 H ATOM 13953 H2 TIP3 4132 9.302 3.903 -20.273 1.00 0.00 WT1 H ATOM 13954 OH2 TIP3 4133 1.396 -7.430 1.337 1.00 0.00 WT1 O ATOM 13955 H1 TIP3 4133 -4.841 3.626 1.356 1.00 0.00 WT1 H ATOM 13956 H2 TIP3 4133 -8.558 -8.506 -6.201 1.00 0.00 WT1 H ATOM 13957 OH2 TIP3 4134 1.258 1.979 -0.428 1.00 0.00 WT1 O ATOM 13958 H1 TIP3 4134 1.924 0.635 -25.670 1.00 0.00 WT1 H ATOM 13959 H2 TIP3 4134 25.976 1.117 -6.117 1.00 0.00 WT1 H ATOM 13960 OH2 TIP3 4135 -5.612 6.944 -1.500 1.00 0.00 WT1 O ATOM 13961 H1 TIP3 4135 -12.812 18.135 -4.758 1.00 0.00 WT1 H ATOM 13962 H2 TIP3 4135 -8.205 -0.134 -7.885 1.00 0.00 WT1 H ATOM 13963 OH2 TIP3 4136 -2.132 6.823 1.854 1.00 0.00 WT1 O ATOM 13964 H1 TIP3 4136 14.250 3.499 -6.174 1.00 0.00 WT1 H ATOM 13965 H2 TIP3 4136 -14.508 1.580 -11.170 1.00 0.00 WT1 H ATOM 13966 OH2 TIP3 4137 6.523 -5.934 1.629 1.00 0.00 WT1 O ATOM 13967 H1 TIP3 4137 -9.592 -4.648 5.999 1.00 0.00 WT1 H ATOM 13968 H2 TIP3 4137 16.136 -11.006 13.550 1.00 0.00 WT1 H ATOM 13969 OH2 TIP3 4138 -0.923 5.077 4.982 1.00 0.00 WT1 O ATOM 13970 H1 TIP3 4138 -12.062 -1.271 8.120 1.00 0.00 WT1 H ATOM 13971 H2 TIP3 4138 5.722 12.868 18.569 1.00 0.00 WT1 H ATOM 13972 OH2 TIP3 4139 6.816 3.197 -1.647 1.00 0.00 WT1 O ATOM 13973 H1 TIP3 4139 -6.827 14.222 1.160 1.00 0.00 WT1 H ATOM 13974 H2 TIP3 4139 20.168 -1.942 9.287 1.00 0.00 WT1 H ATOM 13975 OH2 TIP3 4140 0.038 -5.794 -0.834 1.00 0.00 WT1 O ATOM 13976 H1 TIP3 4140 10.261 -11.036 -11.339 1.00 0.00 WT1 H ATOM 13977 H2 TIP3 4140 12.557 -15.369 12.967 1.00 0.00 WT1 H ATOM 13978 OH2 TIP3 4141 -0.042 -6.273 1.925 1.00 0.00 WT1 O ATOM 13979 H1 TIP3 4141 4.769 29.923 5.309 1.00 0.00 WT1 H ATOM 13980 H2 TIP3 4141 15.099 -34.795 0.433 1.00 0.00 WT1 H ATOM 13981 OH2 TIP3 4142 -6.857 -0.868 -1.417 1.00 0.00 WT1 O ATOM 13982 H1 TIP3 4142 -3.536 -11.451 -14.807 1.00 0.00 WT1 H ATOM 13983 H2 TIP3 4142 8.117 16.934 10.684 1.00 0.00 WT1 H ATOM 13984 OH2 TIP3 4143 -2.262 -0.683 5.509 1.00 0.00 WT1 O ATOM 13985 H1 TIP3 4143 5.721 -2.554 6.059 1.00 0.00 WT1 H ATOM 13986 H2 TIP3 4143 -1.630 -1.411 5.714 1.00 0.00 WT1 H ATOM 13987 OH2 TIP3 4144 1.409 -2.838 -2.154 1.00 0.00 WT1 O ATOM 13988 H1 TIP3 4144 -4.233 7.662 4.084 1.00 0.00 WT1 H ATOM 13989 H2 TIP3 4144 3.047 3.997 -13.090 1.00 0.00 WT1 H ATOM 13990 OH2 TIP3 4145 -2.889 -1.626 0.516 1.00 0.00 WT1 O ATOM 13991 H1 TIP3 4145 3.853 9.853 -9.329 1.00 0.00 WT1 H ATOM 13992 H2 TIP3 4145 -0.295 -12.862 2.839 1.00 0.00 WT1 H ATOM 13993 OH2 TIP3 4147 3.744 -1.719 -3.024 1.00 0.00 WT1 O ATOM 13994 H1 TIP3 4147 4.490 -9.365 4.656 1.00 0.00 WT1 H ATOM 13995 H2 TIP3 4147 5.113 0.741 -19.633 1.00 0.00 WT1 H ATOM 13996 OH2 TIP3 4151 3.914 3.705 -2.403 1.00 0.00 WT1 O ATOM 13997 H1 TIP3 4151 9.730 9.187 -12.759 1.00 0.00 WT1 H ATOM 13998 H2 TIP3 4151 1.356 7.128 -8.734 1.00 0.00 WT1 H ATOM 13999 OH2 TIP3 4153 -2.975 -6.070 3.826 1.00 0.00 WT1 O ATOM 14000 H1 TIP3 4153 -11.245 5.603 0.261 1.00 0.00 WT1 H ATOM 14001 H2 TIP3 4153 3.360 4.714 3.735 1.00 0.00 WT1 H ATOM 14002 OH2 TIP3 4154 -3.309 -0.062 -0.472 1.00 0.00 WT1 O ATOM 14003 H1 TIP3 4154 -1.152 -4.190 0.450 1.00 0.00 WT1 H ATOM 14004 H2 TIP3 4154 -2.507 -1.921 -4.606 1.00 0.00 WT1 H ATOM 14005 OH2 TIP3 4155 10.039 1.156 5.985 1.00 0.00 WT1 O ATOM 14006 H1 TIP3 4155 -20.647 -7.516 1.347 1.00 0.00 WT1 H ATOM 14007 H2 TIP3 4155 -1.241 -2.026 4.705 1.00 0.00 WT1 H ATOM 14008 OH2 TIP3 4156 0.865 0.568 2.409 1.00 0.00 WT1 O ATOM 14009 H1 TIP3 4156 11.090 2.293 0.810 1.00 0.00 WT1 H ATOM 14010 H2 TIP3 4156 3.872 2.807 -3.300 1.00 0.00 WT1 H ATOM 14011 OH2 TIP3 4157 0.448 2.564 3.173 1.00 0.00 WT1 O ATOM 14012 H1 TIP3 4157 -6.950 9.153 -3.760 1.00 0.00 WT1 H ATOM 14013 H2 TIP3 4157 -4.534 12.950 -5.463 1.00 0.00 WT1 H ATOM 14014 OH2 TIP3 4158 -7.115 4.210 0.555 1.00 0.00 WT1 O ATOM 14015 H1 TIP3 4158 21.970 14.423 10.393 1.00 0.00 WT1 H ATOM 14016 H2 TIP3 4158 -32.669 27.846 -1.559 1.00 0.00 WT1 H ATOM 14017 OH2 TIP3 4159 1.333 -4.842 -1.244 1.00 0.00 WT1 O ATOM 14018 H1 TIP3 4159 2.246 -8.607 0.173 1.00 0.00 WT1 H ATOM 14019 H2 TIP3 4159 4.307 -0.409 -7.995 1.00 0.00 WT1 H ATOM 14020 OH2 TIP3 4160 -0.885 3.101 -2.709 1.00 0.00 WT1 O ATOM 14021 H1 TIP3 4160 -27.933 8.427 -2.061 1.00 0.00 WT1 H ATOM 14022 H2 TIP3 4160 3.738 -5.380 -1.457 1.00 0.00 WT1 H ATOM 14023 OH2 TIP3 4161 4.249 -2.163 -3.775 1.00 0.00 WT1 O ATOM 14024 H1 TIP3 4161 9.067 9.716 -9.374 1.00 0.00 WT1 H ATOM 14025 H2 TIP3 4161 -8.622 -1.588 -12.173 1.00 0.00 WT1 H ATOM 14026 OH2 TIP3 4162 2.145 0.175 -0.007 1.00 0.00 WT1 O ATOM 14027 H1 TIP3 4162 -2.769 -8.826 1.080 1.00 0.00 WT1 H ATOM 14028 H2 TIP3 4162 -5.305 -7.421 9.180 1.00 0.00 WT1 H ATOM 14029 OH2 TIP3 4164 0.702 -6.753 -4.936 1.00 0.00 WT1 O ATOM 14030 H1 TIP3 4164 -0.359 -11.136 -5.877 1.00 0.00 WT1 H ATOM 14031 H2 TIP3 4164 -1.548 -12.899 -2.865 1.00 0.00 WT1 H ATOM 14032 OH2 TIP3 4165 -2.694 0.045 3.821 1.00 0.00 WT1 O ATOM 14033 H1 TIP3 4165 -3.074 17.862 -2.355 1.00 0.00 WT1 H ATOM 14034 H2 TIP3 4165 10.726 -7.438 -5.162 1.00 0.00 WT1 H ATOM 14035 OH2 TIP3 4166 2.988 0.352 0.471 1.00 0.00 WT1 O ATOM 14036 H1 TIP3 4166 2.412 -11.893 0.389 1.00 0.00 WT1 H ATOM 14037 H2 TIP3 4166 -2.343 0.836 3.236 1.00 0.00 WT1 H ATOM 14038 OH2 TIP3 4167 1.539 -5.383 6.118 1.00 0.00 WT1 O ATOM 14039 H1 TIP3 4167 -9.227 -11.532 -1.935 1.00 0.00 WT1 H ATOM 14040 H2 TIP3 4167 -0.814 -14.969 -6.276 1.00 0.00 WT1 H ATOM 14041 OH2 TIP3 4169 2.034 1.210 -7.003 1.00 0.00 WT1 O ATOM 14042 H1 TIP3 4169 -11.493 -10.831 17.041 1.00 0.00 WT1 H ATOM 14043 H2 TIP3 4169 12.653 -26.630 -5.350 1.00 0.00 WT1 H ATOM 14044 OH2 TIP3 4173 -3.500 0.169 -2.305 1.00 0.00 WT1 O ATOM 14045 H1 TIP3 4173 -10.016 4.257 -8.317 1.00 0.00 WT1 H ATOM 14046 H2 TIP3 4173 3.445 -3.289 6.068 1.00 0.00 WT1 H ATOM 14047 OH2 TIP3 4174 5.214 1.015 -0.591 1.00 0.00 WT1 O ATOM 14048 H1 TIP3 4174 -10.104 -12.294 -10.936 1.00 0.00 WT1 H ATOM 14049 H2 TIP3 4174 -11.757 15.807 28.202 1.00 0.00 WT1 H ATOM 14050 OH2 TIP3 4175 2.818 -5.709 3.586 1.00 0.00 WT1 O ATOM 14051 H1 TIP3 4175 31.798 -6.628 -10.338 1.00 0.00 WT1 H ATOM 14052 H2 TIP3 4175 -19.258 -2.363 17.698 1.00 0.00 WT1 H ATOM 14053 OH2 TIP3 4177 0.233 -3.779 5.796 1.00 0.00 WT1 O ATOM 14054 H1 TIP3 4177 -8.203 9.423 10.760 1.00 0.00 WT1 H ATOM 14055 H2 TIP3 4177 0.731 -5.018 5.512 1.00 0.00 WT1 H ATOM 14056 OH2 TIP3 4178 0.012 1.772 -2.033 1.00 0.00 WT1 O ATOM 14057 H1 TIP3 4178 10.768 -16.357 18.454 1.00 0.00 WT1 H ATOM 14058 H2 TIP3 4178 -27.400 7.521 14.235 1.00 0.00 WT1 H ATOM 14059 OH2 TIP3 4180 -6.164 -2.296 0.678 1.00 0.00 WT1 O ATOM 14060 H1 TIP3 4180 -16.089 -2.674 2.758 1.00 0.00 WT1 H ATOM 14061 H2 TIP3 4180 -5.944 -2.568 -11.264 1.00 0.00 WT1 H ATOM 14062 OH2 TIP3 4181 0.577 -4.802 -4.755 1.00 0.00 WT1 O ATOM 14063 H1 TIP3 4181 13.226 -7.584 -3.982 1.00 0.00 WT1 H ATOM 14064 H2 TIP3 4181 15.831 -2.385 18.341 1.00 0.00 WT1 H ATOM 14065 OH2 TIP3 4182 -0.211 -3.234 0.907 1.00 0.00 WT1 O ATOM 14066 H1 TIP3 4182 2.394 -6.164 4.141 1.00 0.00 WT1 H ATOM 14067 H2 TIP3 4182 -3.526 -1.914 5.550 1.00 0.00 WT1 H ATOM 14068 OH2 TIP3 4183 -2.533 1.503 -0.238 1.00 0.00 WT1 O ATOM 14069 H1 TIP3 4183 -17.519 -11.278 8.769 1.00 0.00 WT1 H ATOM 14070 H2 TIP3 4183 -12.840 16.444 11.786 1.00 0.00 WT1 H ATOM 14071 OH2 TIP3 4184 1.024 -1.719 2.157 1.00 0.00 WT1 O ATOM 14072 H1 TIP3 4184 -5.060 0.891 12.028 1.00 0.00 WT1 H ATOM 14073 H2 TIP3 4184 11.440 -1.102 4.688 1.00 0.00 WT1 H ATOM 14074 OH2 TIP3 4186 0.454 -1.113 6.464 1.00 0.00 WT1 O ATOM 14075 H1 TIP3 4186 16.737 10.821 0.334 1.00 0.00 WT1 H ATOM 14076 H2 TIP3 4186 -1.959 -17.714 20.174 1.00 0.00 WT1 H ATOM 14077 OH2 TIP3 4187 5.269 6.848 2.010 1.00 0.00 WT1 O ATOM 14078 H1 TIP3 4187 -14.109 10.370 21.279 1.00 0.00 WT1 H ATOM 14079 H2 TIP3 4187 8.048 6.997 -0.850 1.00 0.00 WT1 H ATOM 14080 OH2 TIP3 4189 0.136 1.302 1.326 1.00 0.00 WT1 O ATOM 14081 H1 TIP3 4189 -15.398 -8.127 -1.534 1.00 0.00 WT1 H ATOM 14082 H2 TIP3 4189 18.357 17.890 3.381 1.00 0.00 WT1 H ATOM 14083 OH2 TIP3 4191 -4.747 0.299 2.839 1.00 0.00 WT1 O ATOM 14084 H1 TIP3 4191 -28.958 4.090 14.451 1.00 0.00 WT1 H ATOM 14085 H2 TIP3 4191 -6.105 -3.679 -18.422 1.00 0.00 WT1 H ATOM 14086 OH2 TIP3 4192 -5.467 5.180 -5.566 1.00 0.00 WT1 O ATOM 14087 H1 TIP3 4192 -5.531 5.484 3.266 1.00 0.00 WT1 H ATOM 14088 H2 TIP3 4192 -0.694 9.819 -6.537 1.00 0.00 WT1 H ATOM 14089 OH2 TIP3 4194 -1.588 3.626 -4.292 1.00 0.00 WT1 O ATOM 14090 H1 TIP3 4194 -4.681 10.750 -1.550 1.00 0.00 WT1 H ATOM 14091 H2 TIP3 4194 -11.098 -0.268 -10.754 1.00 0.00 WT1 H ATOM 14092 OH2 TIP3 4196 -14.817 5.564 -2.948 1.00 0.00 WT1 O ATOM 14093 H1 TIP3 4196 8.077 8.757 5.308 1.00 0.00 WT1 H ATOM 14094 H2 TIP3 4196 -19.608 -11.544 -16.458 1.00 0.00 WT1 H ATOM 14095 OH2 TIP3 4197 -1.304 -2.544 2.461 1.00 0.00 WT1 O ATOM 14096 H1 TIP3 4197 8.873 -2.889 -9.020 1.00 0.00 WT1 H ATOM 14097 H2 TIP3 4197 -18.893 -4.155 -4.943 1.00 0.00 WT1 H ATOM 14098 OH2 TIP3 4198 -3.960 0.917 3.714 1.00 0.00 WT1 O ATOM 14099 H1 TIP3 4198 6.207 14.354 -3.556 1.00 0.00 WT1 H ATOM 14100 H2 TIP3 4198 0.591 15.112 2.057 1.00 0.00 WT1 H ATOM 14101 OH2 TIP3 4199 -6.817 7.491 2.595 1.00 0.00 WT1 O ATOM 14102 H1 TIP3 4199 -0.243 22.110 -9.033 1.00 0.00 WT1 H ATOM 14103 H2 TIP3 4199 13.127 -2.081 5.968 1.00 0.00 WT1 H ATOM 14104 OH2 TIP3 4200 1.254 -1.679 1.339 1.00 0.00 WT1 O ATOM 14105 H1 TIP3 4200 -0.962 0.431 12.327 1.00 0.00 WT1 H ATOM 14106 H2 TIP3 4200 7.195 -7.891 3.340 1.00 0.00 WT1 H ATOM 14107 OH2 TIP3 4201 1.838 1.299 -5.122 1.00 0.00 WT1 O ATOM 14108 H1 TIP3 4201 0.390 -4.456 -2.165 1.00 0.00 WT1 H ATOM 14109 H2 TIP3 4201 5.618 14.721 -9.917 1.00 0.00 WT1 H ATOM 14110 OH2 TIP3 4202 -1.239 3.245 0.228 1.00 0.00 WT1 O ATOM 14111 H1 TIP3 4202 -11.986 1.751 10.199 1.00 0.00 WT1 H ATOM 14112 H2 TIP3 4202 11.525 -6.467 1.296 1.00 0.00 WT1 H ATOM 14113 OH2 TIP3 4204 -0.211 2.690 0.708 1.00 0.00 WT1 O ATOM 14114 H1 TIP3 4204 -8.396 1.073 -9.778 1.00 0.00 WT1 H ATOM 14115 H2 TIP3 4204 -2.686 -4.430 6.505 1.00 0.00 WT1 H ATOM 14116 OH2 TIP3 4205 5.046 1.597 -6.616 1.00 0.00 WT1 O ATOM 14117 H1 TIP3 4205 3.920 -24.349 -16.724 1.00 0.00 WT1 H ATOM 14118 H2 TIP3 4205 7.853 5.756 10.610 1.00 0.00 WT1 H ATOM 14119 OH2 TIP3 4207 -4.463 3.719 -1.324 1.00 0.00 WT1 O ATOM 14120 H1 TIP3 4207 13.437 19.330 -5.212 1.00 0.00 WT1 H ATOM 14121 H2 TIP3 4207 -6.251 1.355 9.425 1.00 0.00 WT1 H ATOM 14122 OH2 TIP3 4209 -1.288 4.653 1.128 1.00 0.00 WT1 O ATOM 14123 H1 TIP3 4209 4.954 12.874 11.971 1.00 0.00 WT1 H ATOM 14124 H2 TIP3 4209 -9.578 17.186 14.540 1.00 0.00 WT1 H ATOM 14125 OH2 TIP3 4217 -3.341 2.279 0.422 1.00 0.00 WT1 O ATOM 14126 H1 TIP3 4217 4.987 4.183 1.481 1.00 0.00 WT1 H ATOM 14127 H2 TIP3 4217 -22.099 -2.580 1.937 1.00 0.00 WT1 H ATOM 14128 OH2 TIP3 4218 2.379 -5.024 2.754 1.00 0.00 WT1 O ATOM 14129 H1 TIP3 4218 12.035 -6.422 -25.233 1.00 0.00 WT1 H ATOM 14130 H2 TIP3 4218 20.443 -17.840 20.514 1.00 0.00 WT1 H ATOM 14131 OH2 TIP3 4219 2.636 0.106 -4.545 1.00 0.00 WT1 O ATOM 14132 H1 TIP3 4219 -1.464 -1.548 0.522 1.00 0.00 WT1 H ATOM 14133 H2 TIP3 4219 -14.684 -7.244 -14.881 1.00 0.00 WT1 H ATOM 14134 OH2 TIP3 4220 2.812 2.875 5.645 1.00 0.00 WT1 O ATOM 14135 H1 TIP3 4220 16.443 4.637 11.445 1.00 0.00 WT1 H ATOM 14136 H2 TIP3 4220 -1.789 -14.611 1.707 1.00 0.00 WT1 H ATOM 14137 OH2 TIP3 4221 -0.137 8.541 -3.136 1.00 0.00 WT1 O ATOM 14138 H1 TIP3 4221 0.371 2.008 -10.369 1.00 0.00 WT1 H ATOM 14139 H2 TIP3 4221 -9.108 17.279 -21.765 1.00 0.00 WT1 H ATOM 14140 OH2 TIP3 4222 -2.616 -5.308 -0.422 1.00 0.00 WT1 O ATOM 14141 H1 TIP3 4222 0.694 -3.583 22.179 1.00 0.00 WT1 H ATOM 14142 H2 TIP3 4222 -11.927 7.905 -8.794 1.00 0.00 WT1 H ATOM 14143 OH2 TIP3 4223 -1.575 -5.025 -1.203 1.00 0.00 WT1 O ATOM 14144 H1 TIP3 4223 -26.961 -29.825 -4.725 1.00 0.00 WT1 H ATOM 14145 H2 TIP3 4223 -13.267 -0.118 23.487 1.00 0.00 WT1 H ATOM 14146 OH2 TIP3 4224 2.528 -6.892 3.371 1.00 0.00 WT1 O ATOM 14147 H1 TIP3 4224 30.783 12.013 3.613 1.00 0.00 WT1 H ATOM 14148 H2 TIP3 4224 -2.092 -6.640 -5.725 1.00 0.00 WT1 H ATOM 14149 OH2 TIP3 4225 2.408 -1.647 -0.057 1.00 0.00 WT1 O ATOM 14150 H1 TIP3 4225 19.051 -30.579 -4.254 1.00 0.00 WT1 H ATOM 14151 H2 TIP3 4225 30.315 9.042 5.325 1.00 0.00 WT1 H ATOM 14152 OH2 TIP3 4226 0.031 3.460 -1.753 1.00 0.00 WT1 O ATOM 14153 H1 TIP3 4226 10.929 -4.375 4.100 1.00 0.00 WT1 H ATOM 14154 H2 TIP3 4226 -0.201 -6.168 22.902 1.00 0.00 WT1 H ATOM 14155 OH2 TIP3 4227 0.103 -3.747 0.870 1.00 0.00 WT1 O ATOM 14156 H1 TIP3 4227 9.204 -3.782 1.217 1.00 0.00 WT1 H ATOM 14157 H2 TIP3 4227 -2.743 -4.045 -0.456 1.00 0.00 WT1 H ATOM 14158 OH2 TIP3 4228 2.197 4.304 -1.972 1.00 0.00 WT1 O ATOM 14159 H1 TIP3 4228 1.926 3.125 -2.339 1.00 0.00 WT1 H ATOM 14160 H2 TIP3 4228 -5.160 -5.882 -9.659 1.00 0.00 WT1 H ATOM 14161 OH2 TIP3 4229 4.320 4.011 4.297 1.00 0.00 WT1 O ATOM 14162 H1 TIP3 4229 3.520 7.060 5.279 1.00 0.00 WT1 H ATOM 14163 H2 TIP3 4229 5.171 7.609 4.408 1.00 0.00 WT1 H ATOM 14164 OH2 TIP3 4231 -0.439 -3.244 -2.638 1.00 0.00 WT1 O ATOM 14165 H1 TIP3 4231 9.600 3.338 1.984 1.00 0.00 WT1 H ATOM 14166 H2 TIP3 4231 12.843 -7.219 -29.589 1.00 0.00 WT1 H ATOM 14167 OH2 TIP3 4232 2.437 3.629 0.527 1.00 0.00 WT1 O ATOM 14168 H1 TIP3 4232 5.516 -10.703 0.143 1.00 0.00 WT1 H ATOM 14169 H2 TIP3 4232 -1.181 21.153 2.185 1.00 0.00 WT1 H ATOM 14170 OH2 TIP3 4234 -1.306 -7.586 -2.102 1.00 0.00 WT1 O ATOM 14171 H1 TIP3 4234 7.601 -13.696 41.351 1.00 0.00 WT1 H ATOM 14172 H2 TIP3 4234 5.695 -3.295 -10.314 1.00 0.00 WT1 H ATOM 14173 OH2 TIP3 4239 0.718 0.783 -2.846 1.00 0.00 WT1 O ATOM 14174 H1 TIP3 4239 -3.258 11.151 -0.362 1.00 0.00 WT1 H ATOM 14175 H2 TIP3 4239 -1.577 -10.681 -2.727 1.00 0.00 WT1 H ATOM 14176 OH2 TIP3 4240 4.636 -1.764 -1.191 1.00 0.00 WT1 O ATOM 14177 H1 TIP3 4240 17.099 -4.486 18.566 1.00 0.00 WT1 H ATOM 14178 H2 TIP3 4240 13.701 18.149 -10.228 1.00 0.00 WT1 H ATOM 14179 OH2 TIP3 4241 3.187 -2.179 2.997 1.00 0.00 WT1 O ATOM 14180 H1 TIP3 4241 5.175 29.263 -13.861 1.00 0.00 WT1 H ATOM 14181 H2 TIP3 4241 2.543 -14.528 15.649 1.00 0.00 WT1 H ATOM 14182 OH2 TIP3 4243 4.050 -7.186 -0.476 1.00 0.00 WT1 O ATOM 14183 H1 TIP3 4243 -4.006 0.194 -2.753 1.00 0.00 WT1 H ATOM 14184 H2 TIP3 4243 1.751 -32.318 -7.553 1.00 0.00 WT1 H ATOM 14185 OH2 TIP3 4245 3.698 1.716 -2.889 1.00 0.00 WT1 O ATOM 14186 H1 TIP3 4245 9.081 -0.320 -19.222 1.00 0.00 WT1 H ATOM 14187 H2 TIP3 4245 7.053 7.752 -5.343 1.00 0.00 WT1 H ATOM 14188 OH2 TIP3 4246 -4.338 -6.755 0.344 1.00 0.00 WT1 O ATOM 14189 H1 TIP3 4246 -0.083 0.379 18.100 1.00 0.00 WT1 H ATOM 14190 H2 TIP3 4246 -33.623 -13.247 11.093 1.00 0.00 WT1 H ATOM 14191 OH2 TIP3 4247 6.669 0.984 -2.408 1.00 0.00 WT1 O ATOM 14192 H1 TIP3 4247 -3.785 -17.437 7.205 1.00 0.00 WT1 H ATOM 14193 H2 TIP3 4247 10.925 7.605 -8.239 1.00 0.00 WT1 H ATOM 14194 OH2 TIP3 4249 -0.004 3.144 -3.272 1.00 0.00 WT1 O ATOM 14195 H1 TIP3 4249 11.215 11.590 -6.375 1.00 0.00 WT1 H ATOM 14196 H2 TIP3 4249 16.284 -0.081 -8.332 1.00 0.00 WT1 H ATOM 14197 OH2 TIP3 4251 4.594 -3.489 -1.538 1.00 0.00 WT1 O ATOM 14198 H1 TIP3 4251 12.317 3.079 -6.662 1.00 0.00 WT1 H ATOM 14199 H2 TIP3 4251 9.544 4.502 0.076 1.00 0.00 WT1 H ATOM 14200 OH2 TIP3 4255 -9.012 4.400 7.898 1.00 0.00 WT1 O ATOM 14201 H1 TIP3 4255 -1.737 -7.405 -7.478 1.00 0.00 WT1 H ATOM 14202 H2 TIP3 4255 -3.737 1.655 22.780 1.00 0.00 WT1 H ATOM 14203 OH2 TIP3 4258 1.752 -0.723 7.268 1.00 0.00 WT1 O ATOM 14204 H1 TIP3 4258 -8.657 -7.531 6.885 1.00 0.00 WT1 H ATOM 14205 H2 TIP3 4258 7.982 2.749 -3.092 1.00 0.00 WT1 H ATOM 14206 OH2 TIP3 4259 2.020 5.539 -0.438 1.00 0.00 WT1 O ATOM 14207 H1 TIP3 4259 -7.748 13.638 -7.881 1.00 0.00 WT1 H ATOM 14208 H2 TIP3 4259 -0.538 6.096 -3.688 1.00 0.00 WT1 H ATOM 14209 OH2 TIP3 4261 -4.531 -4.237 2.761 1.00 0.00 WT1 O ATOM 14210 H1 TIP3 4261 10.514 -1.905 7.929 1.00 0.00 WT1 H ATOM 14211 H2 TIP3 4261 -40.300 -4.464 1.962 1.00 0.00 WT1 H ATOM 14212 OH2 TIP3 4262 -0.749 1.967 3.141 1.00 0.00 WT1 O ATOM 14213 H1 TIP3 4262 -3.684 6.941 0.751 1.00 0.00 WT1 H ATOM 14214 H2 TIP3 4262 2.149 -4.635 6.163 1.00 0.00 WT1 H ATOM 14215 OH2 TIP3 4263 0.926 0.481 3.338 1.00 0.00 WT1 O ATOM 14216 H1 TIP3 4263 -0.912 -8.726 -3.327 1.00 0.00 WT1 H ATOM 14217 H2 TIP3 4263 -6.064 -6.533 -20.694 1.00 0.00 WT1 H ATOM 14218 OH2 TIP3 4264 4.898 1.342 0.895 1.00 0.00 WT1 O ATOM 14219 H1 TIP3 4264 5.035 -8.742 0.288 1.00 0.00 WT1 H ATOM 14220 H2 TIP3 4264 12.949 -10.347 31.347 1.00 0.00 WT1 H ATOM 14221 OH2 TIP3 4266 5.877 4.794 3.285 1.00 0.00 WT1 O ATOM 14222 H1 TIP3 4266 -11.512 -2.501 -4.940 1.00 0.00 WT1 H ATOM 14223 H2 TIP3 4266 22.019 -14.001 19.972 1.00 0.00 WT1 H ATOM 14224 OH2 TIP3 4267 8.278 3.902 4.098 1.00 0.00 WT1 O ATOM 14225 H1 TIP3 4267 16.157 -0.568 15.855 1.00 0.00 WT1 H ATOM 14226 H2 TIP3 4267 -12.190 -3.168 -22.009 1.00 0.00 WT1 H ATOM 14227 OH2 TIP3 4268 1.660 2.760 -6.505 1.00 0.00 WT1 O ATOM 14228 H1 TIP3 4268 -17.979 5.270 -15.725 1.00 0.00 WT1 H ATOM 14229 H2 TIP3 4268 1.322 4.515 -1.069 1.00 0.00 WT1 H ATOM 14230 OH2 TIP3 4269 -2.662 0.825 0.171 1.00 0.00 WT1 O ATOM 14231 H1 TIP3 4269 -0.276 15.435 10.893 1.00 0.00 WT1 H ATOM 14232 H2 TIP3 4269 6.476 -10.981 4.999 1.00 0.00 WT1 H ATOM 14233 OH2 TIP3 4273 5.111 -0.532 4.263 1.00 0.00 WT1 O ATOM 14234 H1 TIP3 4273 3.857 2.375 3.883 1.00 0.00 WT1 H ATOM 14235 H2 TIP3 4273 -17.241 7.640 -7.109 1.00 0.00 WT1 H ATOM 14236 OH2 TIP3 4279 -4.159 0.360 -4.858 1.00 0.00 WT1 O ATOM 14237 H1 TIP3 4279 2.345 2.962 0.422 1.00 0.00 WT1 H ATOM 14238 H2 TIP3 4279 -34.947 -10.253 2.510 1.00 0.00 WT1 H ATOM 14239 OH2 TIP3 4282 -0.049 -1.149 -0.445 1.00 0.00 WT1 O ATOM 14240 H1 TIP3 4282 1.513 -9.980 -9.268 1.00 0.00 WT1 H ATOM 14241 H2 TIP3 4282 -12.147 19.447 -0.395 1.00 0.00 WT1 H ATOM 14242 OH2 TIP3 4283 -0.103 -2.536 1.756 1.00 0.00 WT1 O ATOM 14243 H1 TIP3 4283 -4.938 -4.139 0.413 1.00 0.00 WT1 H ATOM 14244 H2 TIP3 4283 11.303 2.099 12.288 1.00 0.00 WT1 H ATOM 14245 OH2 TIP3 4284 -0.678 0.394 4.335 1.00 0.00 WT1 O ATOM 14246 H1 TIP3 4284 -7.201 2.327 -1.762 1.00 0.00 WT1 H ATOM 14247 H2 TIP3 4284 -7.098 -0.038 -10.743 1.00 0.00 WT1 H ATOM 14248 OH2 TIP3 4286 3.526 -1.064 2.595 1.00 0.00 WT1 O ATOM 14249 H1 TIP3 4286 -8.646 -18.623 -14.098 1.00 0.00 WT1 H ATOM 14250 H2 TIP3 4286 -8.101 22.816 -2.567 1.00 0.00 WT1 H ATOM 14251 OH2 TIP3 4287 -1.479 -2.303 5.588 1.00 0.00 WT1 O ATOM 14252 H1 TIP3 4287 -0.311 -14.050 3.444 1.00 0.00 WT1 H ATOM 14253 H2 TIP3 4287 4.598 -7.481 7.143 1.00 0.00 WT1 H ATOM 14254 OH2 TIP3 4288 -7.189 -0.740 -0.036 1.00 0.00 WT1 O ATOM 14255 H1 TIP3 4288 -19.297 -7.895 10.279 1.00 0.00 WT1 H ATOM 14256 H2 TIP3 4288 -13.469 -12.668 15.670 1.00 0.00 WT1 H ATOM 14257 OH2 TIP3 4289 -2.482 3.968 -3.903 1.00 0.00 WT1 O ATOM 14258 H1 TIP3 4289 -4.496 -18.655 7.629 1.00 0.00 WT1 H ATOM 14259 H2 TIP3 4289 -2.614 2.562 -0.884 1.00 0.00 WT1 H ATOM 14260 OH2 TIP3 4290 1.746 0.924 -4.148 1.00 0.00 WT1 O ATOM 14261 H1 TIP3 4290 -11.355 -13.035 -4.689 1.00 0.00 WT1 H ATOM 14262 H2 TIP3 4290 -7.950 -9.209 -4.613 1.00 0.00 WT1 H ATOM 14263 OH2 TIP3 4292 -3.642 6.646 2.560 1.00 0.00 WT1 O ATOM 14264 H1 TIP3 4292 -7.103 4.029 -6.226 1.00 0.00 WT1 H ATOM 14265 H2 TIP3 4292 8.260 -3.221 2.434 1.00 0.00 WT1 H ATOM 14266 OH2 TIP3 4294 2.688 -2.113 1.272 1.00 0.00 WT1 O ATOM 14267 H1 TIP3 4294 4.134 -11.196 0.216 1.00 0.00 WT1 H ATOM 14268 H2 TIP3 4294 7.696 -1.215 10.088 1.00 0.00 WT1 H ATOM 14269 OH2 TIP3 4296 -5.333 1.772 -4.774 1.00 0.00 WT1 O ATOM 14270 H1 TIP3 4296 -11.653 16.555 -9.054 1.00 0.00 WT1 H ATOM 14271 H2 TIP3 4296 22.454 12.062 -9.398 1.00 0.00 WT1 H ATOM 14272 OH2 TIP3 4297 0.521 0.360 0.737 1.00 0.00 WT1 O ATOM 14273 H1 TIP3 4297 -14.311 17.090 -23.349 1.00 0.00 WT1 H ATOM 14274 H2 TIP3 4297 8.253 -9.759 34.012 1.00 0.00 WT1 H ATOM 14275 OH2 TIP3 4299 -3.397 3.903 4.682 1.00 0.00 WT1 O ATOM 14276 H1 TIP3 4299 15.306 -16.824 11.239 1.00 0.00 WT1 H ATOM 14277 H2 TIP3 4299 -7.332 -5.074 -21.454 1.00 0.00 WT1 H ATOM 14278 OH2 TIP3 4301 6.939 -1.438 0.669 1.00 0.00 WT1 O ATOM 14279 H1 TIP3 4301 -4.596 9.052 10.786 1.00 0.00 WT1 H ATOM 14280 H2 TIP3 4301 21.435 -0.849 -4.906 1.00 0.00 WT1 H ATOM 14281 OH2 TIP3 4303 -3.596 3.649 -8.082 1.00 0.00 WT1 O ATOM 14282 H1 TIP3 4303 4.383 19.420 -22.582 1.00 0.00 WT1 H ATOM 14283 H2 TIP3 4303 14.310 -8.776 -3.632 1.00 0.00 WT1 H ATOM 14284 OH2 TIP3 4304 -2.815 0.609 -0.196 1.00 0.00 WT1 O ATOM 14285 H1 TIP3 4304 -31.332 0.494 -8.007 1.00 0.00 WT1 H ATOM 14286 H2 TIP3 4304 -6.452 3.967 -13.964 1.00 0.00 WT1 H ATOM 14287 OH2 TIP3 4306 -2.265 -6.975 -3.212 1.00 0.00 WT1 O ATOM 14288 H1 TIP3 4306 -17.368 12.494 -25.426 1.00 0.00 WT1 H ATOM 14289 H2 TIP3 4306 11.749 -4.738 10.228 1.00 0.00 WT1 H ATOM 14290 OH2 TIP3 4307 -2.736 -5.725 -9.915 1.00 0.00 WT1 O ATOM 14291 H1 TIP3 4307 -13.031 0.991 10.157 1.00 0.00 WT1 H ATOM 14292 H2 TIP3 4307 -22.822 -1.176 -22.931 1.00 0.00 WT1 H ATOM 14293 OH2 TIP3 4308 -1.848 -1.154 2.800 1.00 0.00 WT1 O ATOM 14294 H1 TIP3 4308 -3.114 -1.160 2.024 1.00 0.00 WT1 H ATOM 14295 H2 TIP3 4308 -13.689 -0.491 -4.096 1.00 0.00 WT1 H ATOM 14296 OH2 TIP3 4309 -0.526 5.333 -1.514 1.00 0.00 WT1 O ATOM 14297 H1 TIP3 4309 24.124 12.641 15.870 1.00 0.00 WT1 H ATOM 14298 H2 TIP3 4309 -7.380 6.322 -16.568 1.00 0.00 WT1 H ATOM 14299 OH2 TIP3 4311 -2.835 3.094 -0.371 1.00 0.00 WT1 O ATOM 14300 H1 TIP3 4311 -7.744 -12.398 -4.171 1.00 0.00 WT1 H ATOM 14301 H2 TIP3 4311 -15.496 -16.927 -7.584 1.00 0.00 WT1 H ATOM 14302 OH2 TIP3 4312 1.747 -1.809 -1.890 1.00 0.00 WT1 O ATOM 14303 H1 TIP3 4312 6.123 -0.677 -11.620 1.00 0.00 WT1 H ATOM 14304 H2 TIP3 4312 10.352 3.041 -4.383 1.00 0.00 WT1 H ATOM 14305 OH2 TIP3 4313 3.123 2.856 1.796 1.00 0.00 WT1 O ATOM 14306 H1 TIP3 4313 -0.787 1.846 0.976 1.00 0.00 WT1 H ATOM 14307 H2 TIP3 4313 6.171 -0.145 -3.196 1.00 0.00 WT1 H ATOM 14308 OH2 TIP3 4317 -2.169 -2.967 -3.738 1.00 0.00 WT1 O ATOM 14309 H1 TIP3 4317 6.982 -21.633 25.572 1.00 0.00 WT1 H ATOM 14310 H2 TIP3 4317 16.152 -1.987 -14.923 1.00 0.00 WT1 H ATOM 14311 OH2 TIP3 4318 1.723 4.706 -0.489 1.00 0.00 WT1 O ATOM 14312 H1 TIP3 4318 -0.051 10.401 10.450 1.00 0.00 WT1 H ATOM 14313 H2 TIP3 4318 6.772 9.532 5.822 1.00 0.00 WT1 H ATOM 14314 OH2 TIP3 4319 3.100 -2.039 2.812 1.00 0.00 WT1 O ATOM 14315 H1 TIP3 4319 10.380 -6.545 18.562 1.00 0.00 WT1 H ATOM 14316 H2 TIP3 4319 11.212 2.745 2.691 1.00 0.00 WT1 H ATOM 14317 OH2 TIP3 4321 4.285 -1.668 -0.043 1.00 0.00 WT1 O ATOM 14318 H1 TIP3 4321 10.717 35.560 -0.568 1.00 0.00 WT1 H ATOM 14319 H2 TIP3 4321 17.628 -8.130 0.163 1.00 0.00 WT1 H ATOM 14320 OH2 TIP3 4322 1.684 -1.360 2.430 1.00 0.00 WT1 O ATOM 14321 H1 TIP3 4322 0.210 3.369 -4.372 1.00 0.00 WT1 H ATOM 14322 H2 TIP3 4322 1.436 -5.247 13.990 1.00 0.00 WT1 H ATOM 14323 OH2 TIP3 4323 4.853 1.037 -5.273 1.00 0.00 WT1 O ATOM 14324 H1 TIP3 4323 -1.455 -22.612 -1.912 1.00 0.00 WT1 H ATOM 14325 H2 TIP3 4323 -11.762 10.439 8.878 1.00 0.00 WT1 H ATOM 14326 OH2 TIP3 4325 -5.795 -7.801 6.201 1.00 0.00 WT1 O ATOM 14327 H1 TIP3 4325 14.736 -9.990 2.588 1.00 0.00 WT1 H ATOM 14328 H2 TIP3 4325 -10.871 -2.436 -7.672 1.00 0.00 WT1 H ATOM 14329 OH2 TIP3 4326 4.570 4.525 4.048 1.00 0.00 WT1 O ATOM 14330 H1 TIP3 4326 8.975 5.141 -4.188 1.00 0.00 WT1 H ATOM 14331 H2 TIP3 4326 -4.808 10.363 3.023 1.00 0.00 WT1 H ATOM 14332 OH2 TIP3 4328 3.829 2.148 5.562 1.00 0.00 WT1 O ATOM 14333 H1 TIP3 4328 21.602 4.016 -15.434 1.00 0.00 WT1 H ATOM 14334 H2 TIP3 4328 15.906 3.707 -7.028 1.00 0.00 WT1 H ATOM 14335 OH2 TIP3 4329 0.626 2.691 -3.068 1.00 0.00 WT1 O ATOM 14336 H1 TIP3 4329 -6.842 8.548 -3.065 1.00 0.00 WT1 H ATOM 14337 H2 TIP3 4329 3.781 2.609 -8.314 1.00 0.00 WT1 H ATOM 14338 OH2 TIP3 4330 0.349 -2.237 -2.342 1.00 0.00 WT1 O ATOM 14339 H1 TIP3 4330 -33.611 -24.261 20.312 1.00 0.00 WT1 H ATOM 14340 H2 TIP3 4330 24.165 -1.254 -8.749 1.00 0.00 WT1 H ATOM 14341 OH2 TIP3 4333 -0.011 4.271 -3.105 1.00 0.00 WT1 O ATOM 14342 H1 TIP3 4333 2.096 5.307 4.743 1.00 0.00 WT1 H ATOM 14343 H2 TIP3 4333 -6.707 16.903 17.426 1.00 0.00 WT1 H ATOM 14344 OH2 TIP3 4334 -2.592 8.270 5.630 1.00 0.00 WT1 O ATOM 14345 H1 TIP3 4334 5.559 2.797 -2.946 1.00 0.00 WT1 H ATOM 14346 H2 TIP3 4334 7.480 -8.442 -11.710 1.00 0.00 WT1 H ATOM 14347 OH2 TIP3 4336 9.221 4.700 6.873 1.00 0.00 WT1 O ATOM 14348 H1 TIP3 4336 -7.429 12.386 2.839 1.00 0.00 WT1 H ATOM 14349 H2 TIP3 4336 22.761 5.200 -4.345 1.00 0.00 WT1 H ATOM 14350 OH2 TIP3 4337 2.037 3.627 -3.946 1.00 0.00 WT1 O ATOM 14351 H1 TIP3 4337 10.505 -7.259 -14.032 1.00 0.00 WT1 H ATOM 14352 H2 TIP3 4337 2.366 0.689 8.753 1.00 0.00 WT1 H ATOM 14353 OH2 TIP3 4340 1.778 -2.388 -3.469 1.00 0.00 WT1 O ATOM 14354 H1 TIP3 4340 26.973 18.309 10.496 1.00 0.00 WT1 H ATOM 14355 H2 TIP3 4340 17.144 15.138 5.757 1.00 0.00 WT1 H ATOM 14356 OH2 TIP3 4343 6.742 -6.471 -1.647 1.00 0.00 WT1 O ATOM 14357 H1 TIP3 4343 16.748 1.567 13.026 1.00 0.00 WT1 H ATOM 14358 H2 TIP3 4343 9.851 -18.292 5.151 1.00 0.00 WT1 H ATOM 14359 OH2 TIP3 4344 -2.107 1.874 -3.486 1.00 0.00 WT1 O ATOM 14360 H1 TIP3 4344 3.855 10.933 -6.169 1.00 0.00 WT1 H ATOM 14361 H2 TIP3 4344 -7.853 3.743 4.744 1.00 0.00 WT1 H ATOM 14362 OH2 TIP3 4346 -3.324 4.274 -4.130 1.00 0.00 WT1 O ATOM 14363 H1 TIP3 4346 -29.288 2.665 -2.053 1.00 0.00 WT1 H ATOM 14364 H2 TIP3 4346 20.283 5.527 -1.089 1.00 0.00 WT1 H ATOM 14365 OH2 TIP3 4347 1.496 1.903 9.465 1.00 0.00 WT1 O ATOM 14366 H1 TIP3 4347 -21.068 14.271 18.901 1.00 0.00 WT1 H ATOM 14367 H2 TIP3 4347 3.269 -0.424 5.061 1.00 0.00 WT1 H ATOM 14368 OH2 TIP3 4350 -2.223 4.572 2.788 1.00 0.00 WT1 O ATOM 14369 H1 TIP3 4350 -16.838 -2.042 -8.621 1.00 0.00 WT1 H ATOM 14370 H2 TIP3 4350 -7.324 3.140 -3.860 1.00 0.00 WT1 H ATOM 14371 OH2 TIP3 4351 0.299 -3.109 4.249 1.00 0.00 WT1 O ATOM 14372 H1 TIP3 4351 8.143 13.226 22.922 1.00 0.00 WT1 H ATOM 14373 H2 TIP3 4351 -5.373 10.765 15.641 1.00 0.00 WT1 H ATOM 14374 OH2 TIP3 4352 -9.924 1.965 1.779 1.00 0.00 WT1 O ATOM 14375 H1 TIP3 4352 -1.346 3.601 -21.206 1.00 0.00 WT1 H ATOM 14376 H2 TIP3 4352 -6.688 12.767 8.131 1.00 0.00 WT1 H ATOM 14377 OH2 TIP3 4353 -0.823 -5.434 6.235 1.00 0.00 WT1 O ATOM 14378 H1 TIP3 4353 -7.578 -2.723 8.806 1.00 0.00 WT1 H ATOM 14379 H2 TIP3 4353 21.810 10.424 8.057 1.00 0.00 WT1 H ATOM 14380 OH2 TIP3 4355 -3.471 -5.797 -3.143 1.00 0.00 WT1 O ATOM 14381 H1 TIP3 4355 -5.642 -7.542 1.440 1.00 0.00 WT1 H ATOM 14382 H2 TIP3 4355 13.258 -14.357 -14.700 1.00 0.00 WT1 H ATOM 14383 OH2 TIP3 4356 -11.795 2.428 5.215 1.00 0.00 WT1 O ATOM 14384 H1 TIP3 4356 -32.624 -11.097 10.618 1.00 0.00 WT1 H ATOM 14385 H2 TIP3 4356 -0.341 29.483 6.108 1.00 0.00 WT1 H ATOM 14386 OH2 TIP3 4357 -6.055 3.968 3.372 1.00 0.00 WT1 O ATOM 14387 H1 TIP3 4357 13.396 -11.401 -8.637 1.00 0.00 WT1 H ATOM 14388 H2 TIP3 4357 13.303 -12.281 -13.221 1.00 0.00 WT1 H ATOM 14389 OH2 TIP3 4363 2.359 -1.572 2.325 1.00 0.00 WT1 O ATOM 14390 H1 TIP3 4363 -11.501 18.566 12.164 1.00 0.00 WT1 H ATOM 14391 H2 TIP3 4363 -10.770 21.260 -7.349 1.00 0.00 WT1 H ATOM 14392 OH2 TIP3 4364 -2.037 0.053 -3.003 1.00 0.00 WT1 O ATOM 14393 H1 TIP3 4364 -19.228 3.751 -2.524 1.00 0.00 WT1 H ATOM 14394 H2 TIP3 4364 -7.708 0.291 -11.351 1.00 0.00 WT1 H ATOM 14395 OH2 TIP3 4365 -0.531 5.040 -1.084 1.00 0.00 WT1 O ATOM 14396 H1 TIP3 4365 -20.007 -4.466 -19.329 1.00 0.00 WT1 H ATOM 14397 H2 TIP3 4365 -3.637 -4.893 -13.700 1.00 0.00 WT1 H ATOM 14398 OH2 TIP3 4366 4.642 0.751 -1.763 1.00 0.00 WT1 O ATOM 14399 H1 TIP3 4366 9.074 -6.113 0.724 1.00 0.00 WT1 H ATOM 14400 H2 TIP3 4366 13.230 -12.076 3.467 1.00 0.00 WT1 H ATOM 14401 OH2 TIP3 4372 -2.116 -2.731 0.663 1.00 0.00 WT1 O ATOM 14402 H1 TIP3 4372 -18.820 3.308 -1.681 1.00 0.00 WT1 H ATOM 14403 H2 TIP3 4372 29.427 -9.501 4.321 1.00 0.00 WT1 H ATOM 14404 OH2 TIP3 4373 -4.213 2.829 1.340 1.00 0.00 WT1 O ATOM 14405 H1 TIP3 4373 -7.553 16.602 9.011 1.00 0.00 WT1 H ATOM 14406 H2 TIP3 4373 1.578 0.909 5.170 1.00 0.00 WT1 H ATOM 14407 OH2 TIP3 4374 -0.380 -1.816 -1.609 1.00 0.00 WT1 O ATOM 14408 H1 TIP3 4374 3.599 -6.219 0.711 1.00 0.00 WT1 H ATOM 14409 H2 TIP3 4374 33.621 -3.256 -16.668 1.00 0.00 WT1 H ATOM 14410 OH2 TIP3 4375 -1.356 2.981 3.407 1.00 0.00 WT1 O ATOM 14411 H1 TIP3 4375 -1.780 -0.479 3.788 1.00 0.00 WT1 H ATOM 14412 H2 TIP3 4375 -6.014 -0.353 12.968 1.00 0.00 WT1 H ATOM 14413 OH2 TIP3 4376 0.457 -5.083 0.525 1.00 0.00 WT1 O ATOM 14414 H1 TIP3 4376 -15.520 -13.791 2.055 1.00 0.00 WT1 H ATOM 14415 H2 TIP3 4376 -25.220 -23.090 -7.876 1.00 0.00 WT1 H ATOM 14416 OH2 TIP3 4377 -0.045 -1.830 3.354 1.00 0.00 WT1 O ATOM 14417 H1 TIP3 4377 -1.681 10.145 -5.309 1.00 0.00 WT1 H ATOM 14418 H2 TIP3 4377 12.191 -8.521 -2.517 1.00 0.00 WT1 H ATOM 14419 OH2 TIP3 4378 0.649 -0.307 7.600 1.00 0.00 WT1 O ATOM 14420 H1 TIP3 4378 6.520 -1.691 -8.427 1.00 0.00 WT1 H ATOM 14421 H2 TIP3 4378 6.723 11.839 12.280 1.00 0.00 WT1 H ATOM 14422 OH2 TIP3 4379 3.130 -5.762 -1.893 1.00 0.00 WT1 O ATOM 14423 H1 TIP3 4379 10.558 -9.547 -10.725 1.00 0.00 WT1 H ATOM 14424 H2 TIP3 4379 8.089 -17.415 -19.953 1.00 0.00 WT1 H ATOM 14425 OH2 TIP3 4380 -6.224 -2.270 -1.583 1.00 0.00 WT1 O ATOM 14426 H1 TIP3 4380 14.494 2.613 47.620 1.00 0.00 WT1 H ATOM 14427 H2 TIP3 4380 1.779 6.463 16.152 1.00 0.00 WT1 H ATOM 14428 OH2 TIP3 4381 -4.689 5.461 8.615 1.00 0.00 WT1 O ATOM 14429 H1 TIP3 4381 -10.670 26.146 3.310 1.00 0.00 WT1 H ATOM 14430 H2 TIP3 4381 0.036 -5.533 5.063 1.00 0.00 WT1 H ATOM 14431 OH2 TIP3 4382 -1.775 -0.719 -1.818 1.00 0.00 WT1 O ATOM 14432 H1 TIP3 4382 -9.067 10.722 6.778 1.00 0.00 WT1 H ATOM 14433 H2 TIP3 4382 11.639 2.936 -13.401 1.00 0.00 WT1 H ATOM 14434 OH2 TIP3 4383 4.952 0.275 1.741 1.00 0.00 WT1 O ATOM 14435 H1 TIP3 4383 -26.882 -10.075 -20.231 1.00 0.00 WT1 H ATOM 14436 H2 TIP3 4383 16.151 -21.673 23.610 1.00 0.00 WT1 H ATOM 14437 OH2 TIP3 4384 1.627 -2.665 -2.178 1.00 0.00 WT1 O ATOM 14438 H1 TIP3 4384 3.193 -17.954 -12.928 1.00 0.00 WT1 H ATOM 14439 H2 TIP3 4384 5.615 -6.607 -8.383 1.00 0.00 WT1 H ATOM 14440 OH2 TIP3 4386 -0.262 -5.199 -4.617 1.00 0.00 WT1 O ATOM 14441 H1 TIP3 4386 -1.934 -8.713 -16.878 1.00 0.00 WT1 H ATOM 14442 H2 TIP3 4386 -7.825 17.356 -6.550 1.00 0.00 WT1 H ATOM 14443 OH2 TIP3 4387 -1.914 0.184 -4.943 1.00 0.00 WT1 O ATOM 14444 H1 TIP3 4387 30.490 14.934 -26.883 1.00 0.00 WT1 H ATOM 14445 H2 TIP3 4387 2.444 -11.185 -9.222 1.00 0.00 WT1 H ATOM 14446 OH2 TIP3 4388 -8.897 2.911 -0.796 1.00 0.00 WT1 O ATOM 14447 H1 TIP3 4388 -10.452 8.803 5.251 1.00 0.00 WT1 H ATOM 14448 H2 TIP3 4388 -12.435 -14.740 5.232 1.00 0.00 WT1 H ATOM 14449 OH2 TIP3 4389 0.801 0.357 -7.760 1.00 0.00 WT1 O ATOM 14450 H1 TIP3 4389 2.847 -0.543 -18.194 1.00 0.00 WT1 H ATOM 14451 H2 TIP3 4389 4.421 -3.378 -1.178 1.00 0.00 WT1 H ATOM 14452 OH2 TIP3 4390 -1.956 -2.846 -1.801 1.00 0.00 WT1 O ATOM 14453 H1 TIP3 4390 -20.263 10.643 -13.374 1.00 0.00 WT1 H ATOM 14454 H2 TIP3 4390 -3.340 -19.793 10.884 1.00 0.00 WT1 H ATOM 14455 OH2 TIP3 4391 1.505 -3.886 2.439 1.00 0.00 WT1 O ATOM 14456 H1 TIP3 4391 -5.732 14.888 -10.988 1.00 0.00 WT1 H ATOM 14457 H2 TIP3 4391 -12.918 -1.648 12.817 1.00 0.00 WT1 H ATOM 14458 OH2 TIP3 4392 4.662 4.932 -5.026 1.00 0.00 WT1 O ATOM 14459 H1 TIP3 4392 15.327 0.232 -9.086 1.00 0.00 WT1 H ATOM 14460 H2 TIP3 4392 -3.259 14.421 14.483 1.00 0.00 WT1 H ATOM 14461 OH2 TIP3 4394 -3.783 -7.273 -2.636 1.00 0.00 WT1 O ATOM 14462 H1 TIP3 4394 19.676 -22.773 -2.856 1.00 0.00 WT1 H ATOM 14463 H2 TIP3 4394 -2.850 1.240 -23.668 1.00 0.00 WT1 H ATOM 14464 OH2 TIP3 4395 3.876 3.451 -1.091 1.00 0.00 WT1 O ATOM 14465 H1 TIP3 4395 3.801 10.844 2.649 1.00 0.00 WT1 H ATOM 14466 H2 TIP3 4395 -13.172 -8.988 2.227 1.00 0.00 WT1 H ATOM 14467 OH2 TIP3 4396 -0.851 2.116 4.898 1.00 0.00 WT1 O ATOM 14468 H1 TIP3 4396 6.664 15.780 -28.784 1.00 0.00 WT1 H ATOM 14469 H2 TIP3 4396 5.114 8.800 -16.564 1.00 0.00 WT1 H ATOM 14470 OH2 TIP3 4397 -1.221 -0.912 2.857 1.00 0.00 WT1 O ATOM 14471 H1 TIP3 4397 14.928 1.456 -6.636 1.00 0.00 WT1 H ATOM 14472 H2 TIP3 4397 -0.218 -2.515 0.033 1.00 0.00 WT1 H ATOM 14473 OH2 TIP3 4398 0.234 -1.700 -5.027 1.00 0.00 WT1 O ATOM 14474 H1 TIP3 4398 -7.913 -9.851 -5.974 1.00 0.00 WT1 H ATOM 14475 H2 TIP3 4398 -5.395 -6.497 -10.781 1.00 0.00 WT1 H ATOM 14476 OH2 TIP3 4401 -1.473 1.545 1.318 1.00 0.00 WT1 O ATOM 14477 H1 TIP3 4401 0.768 -2.345 3.952 1.00 0.00 WT1 H ATOM 14478 H2 TIP3 4401 6.681 -11.127 11.249 1.00 0.00 WT1 H ATOM 14479 OH2 TIP3 4402 4.350 -4.818 0.493 1.00 0.00 WT1 O ATOM 14480 H1 TIP3 4402 -3.216 0.444 -0.444 1.00 0.00 WT1 H ATOM 14481 H2 TIP3 4402 7.545 -7.359 -1.052 1.00 0.00 WT1 H ATOM 14482 OH2 TIP3 4403 -6.974 -4.176 1.544 1.00 0.00 WT1 O ATOM 14483 H1 TIP3 4403 -10.779 14.786 -15.834 1.00 0.00 WT1 H ATOM 14484 H2 TIP3 4403 8.261 -19.103 1.103 1.00 0.00 WT1 H ATOM 14485 OH2 TIP3 4404 3.409 -6.806 10.531 1.00 0.00 WT1 O ATOM 14486 H1 TIP3 4404 -6.590 -11.637 11.091 1.00 0.00 WT1 H ATOM 14487 H2 TIP3 4404 -0.046 7.640 15.892 1.00 0.00 WT1 H ATOM 14488 OH2 TIP3 4405 0.190 4.612 -4.440 1.00 0.00 WT1 O ATOM 14489 H1 TIP3 4405 -8.386 -10.586 5.940 1.00 0.00 WT1 H ATOM 14490 H2 TIP3 4405 -7.111 3.773 -27.538 1.00 0.00 WT1 H ATOM 14491 OH2 TIP3 4407 0.872 -4.039 8.425 1.00 0.00 WT1 O ATOM 14492 H1 TIP3 4407 -5.839 -6.920 11.616 1.00 0.00 WT1 H ATOM 14493 H2 TIP3 4407 -6.027 -5.753 9.238 1.00 0.00 WT1 H ATOM 14494 OH2 TIP3 4409 9.586 -11.468 0.990 1.00 0.00 WT1 O ATOM 14495 H1 TIP3 4409 2.724 5.191 -11.721 1.00 0.00 WT1 H ATOM 14496 H2 TIP3 4409 5.226 -19.162 23.009 1.00 0.00 WT1 H ATOM 14497 OH2 TIP3 4411 1.047 3.672 -3.973 1.00 0.00 WT1 O ATOM 14498 H1 TIP3 4411 8.443 -4.036 -2.148 1.00 0.00 WT1 H ATOM 14499 H2 TIP3 4411 -2.441 3.553 -4.133 1.00 0.00 WT1 H ATOM 14500 OH2 TIP3 4412 3.213 1.588 0.212 1.00 0.00 WT1 O ATOM 14501 H1 TIP3 4412 8.406 -3.041 -7.200 1.00 0.00 WT1 H ATOM 14502 H2 TIP3 4412 -0.394 6.162 -5.372 1.00 0.00 WT1 H ATOM 14503 OH2 TIP3 4414 1.766 -1.155 -2.876 1.00 0.00 WT1 O ATOM 14504 H1 TIP3 4414 7.254 -23.567 -2.300 1.00 0.00 WT1 H ATOM 14505 H2 TIP3 4414 -8.389 -2.497 20.744 1.00 0.00 WT1 H ATOM 14506 OH2 TIP3 4415 0.086 -1.809 -3.887 1.00 0.00 WT1 O ATOM 14507 H1 TIP3 4415 4.378 -9.429 7.782 1.00 0.00 WT1 H ATOM 14508 H2 TIP3 4415 -12.297 -2.140 -1.059 1.00 0.00 WT1 H ATOM 14509 OH2 TIP3 4416 -4.635 4.178 3.016 1.00 0.00 WT1 O ATOM 14510 H1 TIP3 4416 1.317 -20.631 -7.431 1.00 0.00 WT1 H ATOM 14511 H2 TIP3 4416 -2.921 -6.841 -25.071 1.00 0.00 WT1 H ATOM 14512 OH2 TIP3 4417 0.235 3.363 0.440 1.00 0.00 WT1 O ATOM 14513 H1 TIP3 4417 -13.776 5.863 19.901 1.00 0.00 WT1 H ATOM 14514 H2 TIP3 4417 11.462 -26.050 -4.048 1.00 0.00 WT1 H ATOM 14515 OH2 TIP3 4419 4.029 2.025 -0.142 1.00 0.00 WT1 O ATOM 14516 H1 TIP3 4419 -0.243 3.256 18.787 1.00 0.00 WT1 H ATOM 14517 H2 TIP3 4419 18.726 2.039 1.671 1.00 0.00 WT1 H ATOM 14518 OH2 TIP3 4421 -2.408 -3.962 3.641 1.00 0.00 WT1 O ATOM 14519 H1 TIP3 4421 14.448 16.115 5.154 1.00 0.00 WT1 H ATOM 14520 H2 TIP3 4421 -14.653 -18.130 -0.181 1.00 0.00 WT1 H ATOM 14521 OH2 TIP3 4422 5.365 4.994 1.984 1.00 0.00 WT1 O ATOM 14522 H1 TIP3 4422 25.249 -5.301 -29.606 1.00 0.00 WT1 H ATOM 14523 H2 TIP3 4422 8.734 -0.037 -13.150 1.00 0.00 WT1 H ATOM 14524 OH2 TIP3 4425 -4.086 0.030 -3.365 1.00 0.00 WT1 O ATOM 14525 H1 TIP3 4425 -6.740 -1.889 -3.871 1.00 0.00 WT1 H ATOM 14526 H2 TIP3 4425 -2.035 1.340 -2.632 1.00 0.00 WT1 H ATOM 14527 OH2 TIP3 4427 2.033 -8.304 -0.979 1.00 0.00 WT1 O ATOM 14528 H1 TIP3 4427 -4.764 -21.757 3.590 1.00 0.00 WT1 H ATOM 14529 H2 TIP3 4427 1.272 1.517 0.292 1.00 0.00 WT1 H ATOM 14530 OH2 TIP3 4428 -2.297 4.023 -4.243 1.00 0.00 WT1 O ATOM 14531 H1 TIP3 4428 0.034 13.905 -1.802 1.00 0.00 WT1 H ATOM 14532 H2 TIP3 4428 -2.029 -5.908 -3.324 1.00 0.00 WT1 H ATOM 14533 OH2 TIP3 4429 1.670 3.241 -2.449 1.00 0.00 WT1 O ATOM 14534 H1 TIP3 4429 -4.670 11.155 -18.507 1.00 0.00 WT1 H ATOM 14535 H2 TIP3 4429 15.596 -16.459 9.432 1.00 0.00 WT1 H ATOM 14536 OH2 TIP3 4432 -2.618 1.431 -1.235 1.00 0.00 WT1 O ATOM 14537 H1 TIP3 4432 24.959 -16.511 -33.952 1.00 0.00 WT1 H ATOM 14538 H2 TIP3 4432 13.984 15.983 0.020 1.00 0.00 WT1 H ATOM 14539 OH2 TIP3 4433 1.804 6.599 -0.502 1.00 0.00 WT1 O ATOM 14540 H1 TIP3 4433 -20.335 -3.299 18.267 1.00 0.00 WT1 H ATOM 14541 H2 TIP3 4433 -1.264 -4.107 -30.062 1.00 0.00 WT1 H ATOM 14542 OH2 TIP3 4434 6.480 -6.215 -4.378 1.00 0.00 WT1 O ATOM 14543 H1 TIP3 4434 -0.161 -5.385 -7.707 1.00 0.00 WT1 H ATOM 14544 H2 TIP3 4434 15.439 6.268 -17.893 1.00 0.00 WT1 H ATOM 14545 OH2 TIP3 4435 5.547 3.853 2.953 1.00 0.00 WT1 O ATOM 14546 H1 TIP3 4435 14.985 9.242 -6.938 1.00 0.00 WT1 H ATOM 14547 H2 TIP3 4435 0.193 -11.445 -7.254 1.00 0.00 WT1 H ATOM 14548 OH2 TIP3 4436 1.496 0.225 -0.271 1.00 0.00 WT1 O ATOM 14549 H1 TIP3 4436 -9.430 -10.171 -14.457 1.00 0.00 WT1 H ATOM 14550 H2 TIP3 4436 -8.061 1.510 -8.743 1.00 0.00 WT1 H ATOM 14551 OH2 TIP3 4437 3.159 3.174 -0.896 1.00 0.00 WT1 O ATOM 14552 H1 TIP3 4437 -8.039 -1.800 -28.817 1.00 0.00 WT1 H ATOM 14553 H2 TIP3 4437 -18.851 -8.203 -2.224 1.00 0.00 WT1 H ATOM 14554 OH2 TIP3 4438 0.552 1.722 2.797 1.00 0.00 WT1 O ATOM 14555 H1 TIP3 4438 20.785 5.513 9.497 1.00 0.00 WT1 H ATOM 14556 H2 TIP3 4438 -13.578 -8.634 2.335 1.00 0.00 WT1 H ATOM 14557 OH2 TIP3 4441 1.406 0.943 2.724 1.00 0.00 WT1 O ATOM 14558 H1 TIP3 4441 -5.069 7.126 -22.799 1.00 0.00 WT1 H ATOM 14559 H2 TIP3 4441 33.897 -0.501 -0.555 1.00 0.00 WT1 H ATOM 14560 OH2 TIP3 4442 1.003 -1.697 -5.708 1.00 0.00 WT1 O ATOM 14561 H1 TIP3 4442 -3.412 3.203 -9.056 1.00 0.00 WT1 H ATOM 14562 H2 TIP3 4442 26.360 -4.552 -19.987 1.00 0.00 WT1 H ATOM 14563 OH2 TIP3 4443 -1.054 -3.013 -0.895 1.00 0.00 WT1 O ATOM 14564 H1 TIP3 4443 3.937 -13.325 -14.464 1.00 0.00 WT1 H ATOM 14565 H2 TIP3 4443 -16.994 -9.810 2.478 1.00 0.00 WT1 H ATOM 14566 OH2 TIP3 4444 -3.994 0.328 0.765 1.00 0.00 WT1 O ATOM 14567 H1 TIP3 4444 -11.968 9.221 2.681 1.00 0.00 WT1 H ATOM 14568 H2 TIP3 4444 6.015 1.057 0.521 1.00 0.00 WT1 H ATOM 14569 OH2 TIP3 4446 -3.211 2.711 7.410 1.00 0.00 WT1 O ATOM 14570 H1 TIP3 4446 9.139 -6.806 8.267 1.00 0.00 WT1 H ATOM 14571 H2 TIP3 4446 -18.491 0.373 8.986 1.00 0.00 WT1 H ATOM 14572 OH2 TIP3 4449 2.156 -6.553 2.733 1.00 0.00 WT1 O ATOM 14573 H1 TIP3 4449 -7.622 -17.305 -6.715 1.00 0.00 WT1 H ATOM 14574 H2 TIP3 4449 0.848 -11.949 10.377 1.00 0.00 WT1 H ATOM 14575 OH2 TIP3 4450 3.111 0.654 -1.818 1.00 0.00 WT1 O ATOM 14576 H1 TIP3 4450 31.701 -11.836 18.769 1.00 0.00 WT1 H ATOM 14577 H2 TIP3 4450 15.218 -1.281 6.417 1.00 0.00 WT1 H ATOM 14578 OH2 TIP3 4451 10.308 -5.187 -5.068 1.00 0.00 WT1 O ATOM 14579 H1 TIP3 4451 7.953 -2.112 7.106 1.00 0.00 WT1 H ATOM 14580 H2 TIP3 4451 13.414 -4.487 -5.088 1.00 0.00 WT1 H ATOM 14581 OH2 TIP3 4452 4.438 -7.126 -7.597 1.00 0.00 WT1 O ATOM 14582 H1 TIP3 4452 15.440 -16.844 -12.001 1.00 0.00 WT1 H ATOM 14583 H2 TIP3 4452 3.999 -8.943 7.325 1.00 0.00 WT1 H ATOM 14584 OH2 TIP3 4453 -2.169 -1.257 -2.799 1.00 0.00 WT1 O ATOM 14585 H1 TIP3 4453 -3.576 -0.319 -2.565 1.00 0.00 WT1 H ATOM 14586 H2 TIP3 4453 4.551 -4.756 -5.969 1.00 0.00 WT1 H ATOM 14587 OH2 TIP3 4454 3.549 -6.667 -2.464 1.00 0.00 WT1 O ATOM 14588 H1 TIP3 4454 -5.607 13.358 -1.467 1.00 0.00 WT1 H ATOM 14589 H2 TIP3 4454 14.466 -8.474 -10.220 1.00 0.00 WT1 H ATOM 14590 OH2 TIP3 4455 0.121 2.300 -1.520 1.00 0.00 WT1 O ATOM 14591 H1 TIP3 4455 -8.590 21.736 6.161 1.00 0.00 WT1 H ATOM 14592 H2 TIP3 4455 3.770 4.400 -10.556 1.00 0.00 WT1 H ATOM 14593 OH2 TIP3 4456 -0.690 4.181 0.170 1.00 0.00 WT1 O ATOM 14594 H1 TIP3 4456 9.367 17.449 5.008 1.00 0.00 WT1 H ATOM 14595 H2 TIP3 4456 -7.104 11.715 0.179 1.00 0.00 WT1 H ATOM 14596 OH2 TIP3 4457 0.692 -5.711 -1.683 1.00 0.00 WT1 O ATOM 14597 H1 TIP3 4457 -0.427 14.012 6.142 1.00 0.00 WT1 H ATOM 14598 H2 TIP3 4457 -9.210 -7.543 2.278 1.00 0.00 WT1 H ATOM 14599 OH2 TIP3 4459 -5.461 -2.098 -3.082 1.00 0.00 WT1 O ATOM 14600 H1 TIP3 4459 0.204 -9.526 7.009 1.00 0.00 WT1 H ATOM 14601 H2 TIP3 4459 -14.549 5.349 -11.043 1.00 0.00 WT1 H ATOM 14602 OH2 TIP3 4460 3.140 -2.710 1.537 1.00 0.00 WT1 O ATOM 14603 H1 TIP3 4460 4.567 -1.138 2.663 1.00 0.00 WT1 H ATOM 14604 H2 TIP3 4460 7.545 -12.209 3.064 1.00 0.00 WT1 H ATOM 14605 OH2 TIP3 4461 -1.727 0.005 -3.273 1.00 0.00 WT1 O ATOM 14606 H1 TIP3 4461 -6.278 -5.679 -2.853 1.00 0.00 WT1 H ATOM 14607 H2 TIP3 4461 15.928 21.484 25.507 1.00 0.00 WT1 H ATOM 14608 OH2 TIP3 4462 -0.630 2.992 5.331 1.00 0.00 WT1 O ATOM 14609 H1 TIP3 4462 4.824 3.691 20.953 1.00 0.00 WT1 H ATOM 14610 H2 TIP3 4462 10.451 -0.002 -1.491 1.00 0.00 WT1 H ATOM 14611 OH2 TIP3 4463 0.181 0.605 -2.010 1.00 0.00 WT1 O ATOM 14612 H1 TIP3 4463 -4.565 -4.844 5.133 1.00 0.00 WT1 H ATOM 14613 H2 TIP3 4463 18.222 -34.037 14.832 1.00 0.00 WT1 H ATOM 14614 OH2 TIP3 4464 -11.468 5.179 2.575 1.00 0.00 WT1 O ATOM 14615 H1 TIP3 4464 -0.200 0.740 -3.126 1.00 0.00 WT1 H ATOM 14616 H2 TIP3 4464 -3.909 2.302 -10.753 1.00 0.00 WT1 H ATOM 14617 OH2 TIP3 4465 -4.868 -1.057 3.891 1.00 0.00 WT1 O ATOM 14618 H1 TIP3 4465 1.510 5.785 -0.276 1.00 0.00 WT1 H ATOM 14619 H2 TIP3 4465 -5.188 3.897 3.670 1.00 0.00 WT1 H ATOM 14620 OH2 TIP3 4466 -1.829 1.376 1.487 1.00 0.00 WT1 O ATOM 14621 H1 TIP3 4466 12.446 -13.050 3.820 1.00 0.00 WT1 H ATOM 14622 H2 TIP3 4466 -14.817 3.597 -0.618 1.00 0.00 WT1 H ATOM 14623 OH2 TIP3 4467 3.782 -2.699 -2.123 1.00 0.00 WT1 O ATOM 14624 H1 TIP3 4467 15.965 4.009 5.964 1.00 0.00 WT1 H ATOM 14625 H2 TIP3 4467 3.934 1.743 -12.434 1.00 0.00 WT1 H ATOM 14626 OH2 TIP3 4468 -3.175 -1.115 0.527 1.00 0.00 WT1 O ATOM 14627 H1 TIP3 4468 -23.313 9.779 2.805 1.00 0.00 WT1 H ATOM 14628 H2 TIP3 4468 -8.331 -16.606 16.844 1.00 0.00 WT1 H ATOM 14629 OH2 TIP3 4469 -1.554 -3.966 5.925 1.00 0.00 WT1 O ATOM 14630 H1 TIP3 4469 24.972 20.295 42.330 1.00 0.00 WT1 H ATOM 14631 H2 TIP3 4469 1.642 4.374 6.738 1.00 0.00 WT1 H ATOM 14632 OH2 TIP3 4470 -3.786 0.807 4.207 1.00 0.00 WT1 O ATOM 14633 H1 TIP3 4470 11.905 34.222 -2.496 1.00 0.00 WT1 H ATOM 14634 H2 TIP3 4470 0.754 12.055 0.910 1.00 0.00 WT1 H ATOM 14635 OH2 TIP3 4472 -5.983 8.201 -0.162 1.00 0.00 WT1 O ATOM 14636 H1 TIP3 4472 -9.037 5.795 4.254 1.00 0.00 WT1 H ATOM 14637 H2 TIP3 4472 6.738 -19.018 -8.845 1.00 0.00 WT1 H ATOM 14638 OH2 TIP3 4473 5.218 -1.421 -4.255 1.00 0.00 WT1 O ATOM 14639 H1 TIP3 4473 -17.744 -2.773 1.521 1.00 0.00 WT1 H ATOM 14640 H2 TIP3 4473 25.131 -5.179 5.915 1.00 0.00 WT1 H ATOM 14641 OH2 TIP3 4474 -2.827 7.054 0.638 1.00 0.00 WT1 O ATOM 14642 H1 TIP3 4474 1.243 -0.000 -5.260 1.00 0.00 WT1 H ATOM 14643 H2 TIP3 4474 -0.188 -0.361 -4.968 1.00 0.00 WT1 H ATOM 14644 OH2 TIP3 4475 -1.401 4.321 -3.526 1.00 0.00 WT1 O ATOM 14645 H1 TIP3 4475 8.452 5.244 -12.926 1.00 0.00 WT1 H ATOM 14646 H2 TIP3 4475 9.694 -0.857 7.976 1.00 0.00 WT1 H ATOM 14647 OH2 TIP3 4476 4.533 -0.328 4.383 1.00 0.00 WT1 O ATOM 14648 H1 TIP3 4476 7.442 4.175 4.375 1.00 0.00 WT1 H ATOM 14649 H2 TIP3 4476 10.411 16.661 -9.138 1.00 0.00 WT1 H ATOM 14650 OH2 TIP3 4477 0.440 -1.045 -2.276 1.00 0.00 WT1 O ATOM 14651 H1 TIP3 4477 7.381 -2.605 -1.359 1.00 0.00 WT1 H ATOM 14652 H2 TIP3 4477 -2.437 -6.389 -10.988 1.00 0.00 WT1 H ATOM 14653 OH2 TIP3 4478 -5.627 2.945 1.508 1.00 0.00 WT1 O ATOM 14654 H1 TIP3 4478 0.944 7.830 7.248 1.00 0.00 WT1 H ATOM 14655 H2 TIP3 4478 7.403 6.683 -5.233 1.00 0.00 WT1 H ATOM 14656 OH2 TIP3 4479 -6.546 0.148 -4.446 1.00 0.00 WT1 O ATOM 14657 H1 TIP3 4479 -1.218 -9.789 -1.530 1.00 0.00 WT1 H ATOM 14658 H2 TIP3 4479 -0.807 3.090 -9.275 1.00 0.00 WT1 H ATOM 14659 OH2 TIP3 4480 -1.065 -0.226 6.687 1.00 0.00 WT1 O ATOM 14660 H1 TIP3 4480 -4.771 15.957 -26.519 1.00 0.00 WT1 H ATOM 14661 H2 TIP3 4480 -13.133 16.101 6.831 1.00 0.00 WT1 H ATOM 14662 OH2 TIP3 4481 -4.011 5.119 -4.883 1.00 0.00 WT1 O ATOM 14663 H1 TIP3 4481 6.541 -10.924 1.576 1.00 0.00 WT1 H ATOM 14664 H2 TIP3 4481 8.067 -12.375 4.759 1.00 0.00 WT1 H ATOM 14665 OH2 TIP3 4482 -0.125 -2.054 0.056 1.00 0.00 WT1 O ATOM 14666 H1 TIP3 4482 7.392 -8.422 -6.167 1.00 0.00 WT1 H ATOM 14667 H2 TIP3 4482 1.685 4.165 1.122 1.00 0.00 WT1 H ATOM 14668 OH2 TIP3 4483 -3.236 -3.391 -1.172 1.00 0.00 WT1 O ATOM 14669 H1 TIP3 4483 -5.150 1.641 -4.861 1.00 0.00 WT1 H ATOM 14670 H2 TIP3 4483 -8.804 -5.848 -4.257 1.00 0.00 WT1 H ATOM 14671 OH2 TIP3 4485 2.204 -3.113 -1.345 1.00 0.00 WT1 O ATOM 14672 H1 TIP3 4485 17.075 7.443 18.332 1.00 0.00 WT1 H ATOM 14673 H2 TIP3 4485 3.667 4.089 -3.313 1.00 0.00 WT1 H ATOM 14674 OH2 TIP3 4487 0.363 4.006 4.781 1.00 0.00 WT1 O ATOM 14675 H1 TIP3 4487 -14.861 11.479 10.503 1.00 0.00 WT1 H ATOM 14676 H2 TIP3 4487 4.836 -2.400 9.501 1.00 0.00 WT1 H ATOM 14677 OH2 TIP3 4489 -5.810 -0.622 -1.599 1.00 0.00 WT1 O ATOM 14678 H1 TIP3 4489 12.567 -8.832 12.357 1.00 0.00 WT1 H ATOM 14679 H2 TIP3 4489 -0.508 -8.373 14.765 1.00 0.00 WT1 H ATOM 14680 OH2 TIP3 4491 2.535 1.193 3.333 1.00 0.00 WT1 O ATOM 14681 H1 TIP3 4491 1.456 27.029 8.893 1.00 0.00 WT1 H ATOM 14682 H2 TIP3 4491 -17.191 3.574 -2.211 1.00 0.00 WT1 H ATOM 14683 OH2 TIP3 4492 5.199 10.427 -2.337 1.00 0.00 WT1 O ATOM 14684 H1 TIP3 4492 10.551 16.842 -3.885 1.00 0.00 WT1 H ATOM 14685 H2 TIP3 4492 -8.110 2.142 -1.808 1.00 0.00 WT1 H ATOM 14686 OH2 TIP3 4493 0.229 -3.430 1.877 1.00 0.00 WT1 O ATOM 14687 H1 TIP3 4493 -3.235 7.154 -8.107 1.00 0.00 WT1 H ATOM 14688 H2 TIP3 4493 3.353 -16.776 16.170 1.00 0.00 WT1 H ATOM 14689 OH2 TIP3 4495 2.516 -1.088 2.925 1.00 0.00 WT1 O ATOM 14690 H1 TIP3 4495 3.048 -2.263 -3.198 1.00 0.00 WT1 H ATOM 14691 H2 TIP3 4495 -4.466 -2.683 6.155 1.00 0.00 WT1 H ATOM 14692 OH2 TIP3 4496 1.314 -0.227 -3.023 1.00 0.00 WT1 O ATOM 14693 H1 TIP3 4496 0.623 18.626 -1.946 1.00 0.00 WT1 H ATOM 14694 H2 TIP3 4496 -8.025 -10.824 -8.412 1.00 0.00 WT1 H ATOM 14695 OH2 TIP3 4497 -3.280 -5.263 -2.421 1.00 0.00 WT1 O ATOM 14696 H1 TIP3 4497 -1.848 5.198 -4.185 1.00 0.00 WT1 H ATOM 14697 H2 TIP3 4497 -1.564 11.082 -2.311 1.00 0.00 WT1 H ATOM 14698 OH2 TIP3 4499 1.340 0.726 -5.042 1.00 0.00 WT1 O ATOM 14699 H1 TIP3 4499 1.005 -3.170 -5.970 1.00 0.00 WT1 H ATOM 14700 H2 TIP3 4499 0.517 -6.051 -7.407 1.00 0.00 WT1 H ATOM 14701 OH2 TIP3 4500 3.403 -8.112 -0.099 1.00 0.00 WT1 O ATOM 14702 H1 TIP3 4500 7.646 -6.350 -8.214 1.00 0.00 WT1 H ATOM 14703 H2 TIP3 4500 5.937 -6.747 -11.047 1.00 0.00 WT1 H ATOM 14704 OH2 TIP3 4501 -6.745 -2.381 0.835 1.00 0.00 WT1 O ATOM 14705 H1 TIP3 4501 -10.575 0.330 -4.854 1.00 0.00 WT1 H ATOM 14706 H2 TIP3 4501 -6.082 5.849 -13.168 1.00 0.00 WT1 H ATOM 14707 OH2 TIP3 4502 0.299 4.851 -1.024 1.00 0.00 WT1 O ATOM 14708 H1 TIP3 4502 -8.484 -3.976 -10.246 1.00 0.00 WT1 H ATOM 14709 H2 TIP3 4502 3.232 1.048 -8.387 1.00 0.00 WT1 H ATOM 14710 OH2 TIP3 4504 -1.596 -3.553 -5.577 1.00 0.00 WT1 O ATOM 14711 H1 TIP3 4504 -3.696 -7.397 -3.714 1.00 0.00 WT1 H ATOM 14712 H2 TIP3 4504 -1.653 -10.916 -12.703 1.00 0.00 WT1 H ATOM 14713 OH2 TIP3 4505 -2.846 4.054 -5.803 1.00 0.00 WT1 O ATOM 14714 H1 TIP3 4505 14.035 5.950 0.505 1.00 0.00 WT1 H ATOM 14715 H2 TIP3 4505 -7.238 -3.393 7.678 1.00 0.00 WT1 H ATOM 14716 OH2 TIP3 4506 6.175 -4.528 -0.088 1.00 0.00 WT1 O ATOM 14717 H1 TIP3 4506 19.069 -15.033 -3.135 1.00 0.00 WT1 H ATOM 14718 H2 TIP3 4506 8.584 0.624 2.274 1.00 0.00 WT1 H ATOM 14719 OH2 TIP3 4507 5.368 -0.618 -6.579 1.00 0.00 WT1 O ATOM 14720 H1 TIP3 4507 9.448 3.963 -8.407 1.00 0.00 WT1 H ATOM 14721 H2 TIP3 4507 -7.051 -17.493 9.618 1.00 0.00 WT1 H ATOM 14722 OH2 TIP3 4508 -0.224 -1.550 4.303 1.00 0.00 WT1 O ATOM 14723 H1 TIP3 4508 -14.667 36.945 31.403 1.00 0.00 WT1 H ATOM 14724 H2 TIP3 4508 4.301 1.745 9.741 1.00 0.00 WT1 H ATOM 14725 OH2 TIP3 4509 -2.710 -2.691 -2.213 1.00 0.00 WT1 O ATOM 14726 H1 TIP3 4509 -2.511 15.435 0.020 1.00 0.00 WT1 H ATOM 14727 H2 TIP3 4509 -3.235 5.567 0.399 1.00 0.00 WT1 H ATOM 14728 OH2 TIP3 4510 5.069 -6.428 0.393 1.00 0.00 WT1 O ATOM 14729 H1 TIP3 4510 -22.128 -10.978 -6.126 1.00 0.00 WT1 H ATOM 14730 H2 TIP3 4510 27.993 10.785 -19.066 1.00 0.00 WT1 H ATOM 14731 OH2 TIP3 4511 0.179 -1.704 2.769 1.00 0.00 WT1 O ATOM 14732 H1 TIP3 4511 -9.653 -3.982 4.475 1.00 0.00 WT1 H ATOM 14733 H2 TIP3 4511 -0.999 -3.636 -0.832 1.00 0.00 WT1 H ATOM 14734 OH2 TIP3 4513 0.966 4.834 4.006 1.00 0.00 WT1 O ATOM 14735 H1 TIP3 4513 13.112 26.247 12.633 1.00 0.00 WT1 H ATOM 14736 H2 TIP3 4513 4.629 -14.380 -34.982 1.00 0.00 WT1 H ATOM 14737 OH2 TIP3 4514 3.740 -10.791 -0.633 1.00 0.00 WT1 O ATOM 14738 H1 TIP3 4514 -2.430 -11.549 4.758 1.00 0.00 WT1 H ATOM 14739 H2 TIP3 4514 2.852 -15.341 6.273 1.00 0.00 WT1 H ATOM 14740 OH2 TIP3 4515 4.160 -2.725 -3.990 1.00 0.00 WT1 O ATOM 14741 H1 TIP3 4515 0.164 -13.337 -2.002 1.00 0.00 WT1 H ATOM 14742 H2 TIP3 4515 9.028 -6.672 -10.554 1.00 0.00 WT1 H ATOM 14743 OH2 TIP3 4516 -2.362 -3.985 6.709 1.00 0.00 WT1 O ATOM 14744 H1 TIP3 4516 -3.846 -7.773 -1.239 1.00 0.00 WT1 H ATOM 14745 H2 TIP3 4516 13.334 1.163 -1.090 1.00 0.00 WT1 H ATOM 14746 OH2 TIP3 4517 2.671 -3.428 2.841 1.00 0.00 WT1 O ATOM 14747 H1 TIP3 4517 13.549 -1.736 -5.136 1.00 0.00 WT1 H ATOM 14748 H2 TIP3 4517 -12.487 -7.594 8.649 1.00 0.00 WT1 H ATOM 14749 OH2 TIP3 4518 8.864 -6.591 -1.276 1.00 0.00 WT1 O ATOM 14750 H1 TIP3 4518 -1.782 3.697 14.883 1.00 0.00 WT1 H ATOM 14751 H2 TIP3 4518 12.727 -10.210 -6.465 1.00 0.00 WT1 H ATOM 14752 OH2 TIP3 4519 -7.021 2.225 7.507 1.00 0.00 WT1 O ATOM 14753 H1 TIP3 4519 0.763 9.099 -5.764 1.00 0.00 WT1 H ATOM 14754 H2 TIP3 4519 24.971 8.442 22.355 1.00 0.00 WT1 H ATOM 14755 OH2 TIP3 4520 -2.156 -4.293 -1.202 1.00 0.00 WT1 O ATOM 14756 H1 TIP3 4520 -2.761 0.118 -14.294 1.00 0.00 WT1 H ATOM 14757 H2 TIP3 4520 18.006 -15.567 17.272 1.00 0.00 WT1 H ATOM 14758 OH2 TIP3 4521 -7.906 -0.051 -3.589 1.00 0.00 WT1 O ATOM 14759 H1 TIP3 4521 2.815 -8.596 -0.499 1.00 0.00 WT1 H ATOM 14760 H2 TIP3 4521 -13.455 -6.862 2.916 1.00 0.00 WT1 H ATOM 14761 OH2 TIP3 4522 -1.339 3.316 -0.739 1.00 0.00 WT1 O ATOM 14762 H1 TIP3 4522 23.781 -14.313 18.582 1.00 0.00 WT1 H ATOM 14763 H2 TIP3 4522 4.342 -3.369 8.502 1.00 0.00 WT1 H ATOM 14764 OH2 TIP3 4523 -2.892 -2.119 2.631 1.00 0.00 WT1 O ATOM 14765 H1 TIP3 4523 -12.785 -7.664 30.546 1.00 0.00 WT1 H ATOM 14766 H2 TIP3 4523 -1.568 -2.194 0.847 1.00 0.00 WT1 H ATOM 14767 OH2 TIP3 4524 2.530 -5.361 3.905 1.00 0.00 WT1 O ATOM 14768 H1 TIP3 4524 -4.381 -4.212 -7.600 1.00 0.00 WT1 H ATOM 14769 H2 TIP3 4524 2.053 -8.621 1.628 1.00 0.00 WT1 H ATOM 14770 OH2 TIP3 4525 -1.383 -1.711 -3.450 1.00 0.00 WT1 O ATOM 14771 H1 TIP3 4525 -0.321 1.966 -1.711 1.00 0.00 WT1 H ATOM 14772 H2 TIP3 4525 -2.927 -10.493 -7.445 1.00 0.00 WT1 H ATOM 14773 OH2 TIP3 4526 1.323 -1.670 -1.800 1.00 0.00 WT1 O ATOM 14774 H1 TIP3 4526 -1.440 -3.886 -4.951 1.00 0.00 WT1 H ATOM 14775 H2 TIP3 4526 -28.863 -0.074 2.526 1.00 0.00 WT1 H ATOM 14776 OH2 TIP3 4527 2.474 -1.401 4.946 1.00 0.00 WT1 O ATOM 14777 H1 TIP3 4527 -1.359 3.190 3.541 1.00 0.00 WT1 H ATOM 14778 H2 TIP3 4527 -0.497 9.120 6.668 1.00 0.00 WT1 H ATOM 14779 OH2 TIP3 4528 -5.119 5.323 -6.320 1.00 0.00 WT1 O ATOM 14780 H1 TIP3 4528 0.136 14.980 -21.084 1.00 0.00 WT1 H ATOM 14781 H2 TIP3 4528 12.221 1.928 4.823 1.00 0.00 WT1 H ATOM 14782 OH2 TIP3 4529 -3.431 -1.832 -2.249 1.00 0.00 WT1 O ATOM 14783 H1 TIP3 4529 -5.636 2.130 -18.632 1.00 0.00 WT1 H ATOM 14784 H2 TIP3 4529 -4.781 -4.086 7.874 1.00 0.00 WT1 H ATOM 14785 OH2 TIP3 4530 3.736 -1.216 -4.663 1.00 0.00 WT1 O ATOM 14786 H1 TIP3 4530 21.084 -9.468 -4.995 1.00 0.00 WT1 H ATOM 14787 H2 TIP3 4530 -5.910 3.107 -2.041 1.00 0.00 WT1 H ATOM 14788 OH2 TIP3 4531 1.000 4.309 3.222 1.00 0.00 WT1 O ATOM 14789 H1 TIP3 4531 -3.943 -1.137 -0.594 1.00 0.00 WT1 H ATOM 14790 H2 TIP3 4531 3.645 9.960 -2.529 1.00 0.00 WT1 H ATOM 14791 OH2 TIP3 4532 3.001 -10.391 2.834 1.00 0.00 WT1 O ATOM 14792 H1 TIP3 4532 4.200 10.321 3.572 1.00 0.00 WT1 H ATOM 14793 H2 TIP3 4532 -13.719 9.131 -16.365 1.00 0.00 WT1 H ATOM 14794 OH2 TIP3 4533 -1.037 -0.504 3.687 1.00 0.00 WT1 O ATOM 14795 H1 TIP3 4533 0.843 -9.851 10.428 1.00 0.00 WT1 H ATOM 14796 H2 TIP3 4533 6.524 -15.799 11.941 1.00 0.00 WT1 H ATOM 14797 OH2 TIP3 4534 -6.018 7.402 1.981 1.00 0.00 WT1 O ATOM 14798 H1 TIP3 4534 -0.610 11.624 3.844 1.00 0.00 WT1 H ATOM 14799 H2 TIP3 4534 -12.113 7.361 3.998 1.00 0.00 WT1 H ATOM 14800 OH2 TIP3 4535 5.525 1.628 -0.065 1.00 0.00 WT1 O ATOM 14801 H1 TIP3 4535 4.203 -10.870 -9.172 1.00 0.00 WT1 H ATOM 14802 H2 TIP3 4535 -8.273 3.925 3.755 1.00 0.00 WT1 H ATOM 14803 OH2 TIP3 4536 -2.363 -5.438 2.580 1.00 0.00 WT1 O ATOM 14804 H1 TIP3 4536 -11.635 -1.358 8.512 1.00 0.00 WT1 H ATOM 14805 H2 TIP3 4536 -7.833 1.578 7.877 1.00 0.00 WT1 H ATOM 14806 OH2 TIP3 4537 4.709 -2.687 2.506 1.00 0.00 WT1 O ATOM 14807 H1 TIP3 4537 -1.579 -5.363 -0.238 1.00 0.00 WT1 H ATOM 14808 H2 TIP3 4537 4.733 0.941 4.024 1.00 0.00 WT1 H ATOM 14809 OH2 TIP3 4538 -2.034 3.966 -3.574 1.00 0.00 WT1 O ATOM 14810 H1 TIP3 4538 -13.258 7.845 -4.711 1.00 0.00 WT1 H ATOM 14811 H2 TIP3 4538 3.629 -14.232 -6.990 1.00 0.00 WT1 H ATOM 14812 OH2 TIP3 4539 -3.868 3.834 -1.380 1.00 0.00 WT1 O ATOM 14813 H1 TIP3 4539 1.397 0.780 3.435 1.00 0.00 WT1 H ATOM 14814 H2 TIP3 4539 20.790 6.298 -10.034 1.00 0.00 WT1 H ATOM 14815 OH2 TIP3 4540 5.211 1.818 4.457 1.00 0.00 WT1 O ATOM 14816 H1 TIP3 4540 13.179 6.889 -19.472 1.00 0.00 WT1 H ATOM 14817 H2 TIP3 4540 15.373 9.222 -22.584 1.00 0.00 WT1 H ATOM 14818 OH2 TIP3 4541 -2.711 1.729 3.137 1.00 0.00 WT1 O ATOM 14819 H1 TIP3 4541 -10.251 0.988 16.753 1.00 0.00 WT1 H ATOM 14820 H2 TIP3 4541 2.089 -2.764 -5.374 1.00 0.00 WT1 H ATOM 14821 OH2 TIP3 4542 -0.849 -4.076 9.937 1.00 0.00 WT1 O ATOM 14822 H1 TIP3 4542 3.493 1.527 -1.169 1.00 0.00 WT1 H ATOM 14823 H2 TIP3 4542 -13.628 -6.743 20.772 1.00 0.00 WT1 H ATOM 14824 OH2 TIP3 4544 -5.804 1.322 2.270 1.00 0.00 WT1 O ATOM 14825 H1 TIP3 4544 -7.514 -0.353 0.245 1.00 0.00 WT1 H ATOM 14826 H2 TIP3 4544 -17.727 -0.563 -5.250 1.00 0.00 WT1 H ATOM 14827 OH2 TIP3 4545 -2.604 0.673 -3.777 1.00 0.00 WT1 O ATOM 14828 H1 TIP3 4545 -1.840 -7.875 -7.666 1.00 0.00 WT1 H ATOM 14829 H2 TIP3 4545 -5.936 7.272 -7.433 1.00 0.00 WT1 H ATOM 14830 OH2 TIP3 4546 3.813 3.309 -3.581 1.00 0.00 WT1 O ATOM 14831 H1 TIP3 4546 -8.932 5.485 11.476 1.00 0.00 WT1 H ATOM 14832 H2 TIP3 4546 8.236 3.313 -6.175 1.00 0.00 WT1 H ATOM 14833 OH2 TIP3 4547 -0.460 -3.886 2.859 1.00 0.00 WT1 O ATOM 14834 H1 TIP3 4547 15.640 -7.174 17.121 1.00 0.00 WT1 H ATOM 14835 H2 TIP3 4547 -14.032 -15.365 24.531 1.00 0.00 WT1 H ATOM 14836 OH2 TIP3 4548 -1.688 -3.125 -9.321 1.00 0.00 WT1 O ATOM 14837 H1 TIP3 4548 8.761 -12.071 13.250 1.00 0.00 WT1 H ATOM 14838 H2 TIP3 4548 -8.709 -12.748 -12.840 1.00 0.00 WT1 H ATOM 14839 OH2 TIP3 4549 2.642 1.185 -1.352 1.00 0.00 WT1 O ATOM 14840 H1 TIP3 4549 22.742 7.494 9.910 1.00 0.00 WT1 H ATOM 14841 H2 TIP3 4549 -9.692 -12.416 -1.823 1.00 0.00 WT1 H ATOM 14842 OH2 TIP3 4550 -3.110 3.711 2.425 1.00 0.00 WT1 O ATOM 14843 H1 TIP3 4550 9.527 -6.403 5.147 1.00 0.00 WT1 H ATOM 14844 H2 TIP3 4550 7.086 14.052 0.206 1.00 0.00 WT1 H ATOM 14845 OH2 TIP3 4552 -1.306 -0.223 -0.782 1.00 0.00 WT1 O ATOM 14846 H1 TIP3 4552 10.864 -3.197 17.135 1.00 0.00 WT1 H ATOM 14847 H2 TIP3 4552 -1.152 21.279 3.704 1.00 0.00 WT1 H ATOM 14848 OH2 TIP3 4553 6.616 0.144 0.100 1.00 0.00 WT1 O ATOM 14849 H1 TIP3 4553 -5.291 -14.057 10.734 1.00 0.00 WT1 H ATOM 14850 H2 TIP3 4553 1.022 -7.234 -1.720 1.00 0.00 WT1 H ATOM 14851 OH2 TIP3 4554 -5.398 2.922 -5.937 1.00 0.00 WT1 O ATOM 14852 H1 TIP3 4554 12.980 12.390 -4.417 1.00 0.00 WT1 H ATOM 14853 H2 TIP3 4554 -6.353 6.028 15.054 1.00 0.00 WT1 H ATOM 14854 OH2 TIP3 4555 -5.890 -5.305 -3.452 1.00 0.00 WT1 O ATOM 14855 H1 TIP3 4555 -5.177 -6.980 -3.032 1.00 0.00 WT1 H ATOM 14856 H2 TIP3 4555 8.352 -15.379 -10.461 1.00 0.00 WT1 H ATOM 14857 OH2 TIP3 4556 1.409 -2.787 0.181 1.00 0.00 WT1 O ATOM 14858 H1 TIP3 4556 4.505 8.529 -18.747 1.00 0.00 WT1 H ATOM 14859 H2 TIP3 4556 -3.797 18.300 -5.190 1.00 0.00 WT1 H ATOM 14860 OH2 TIP3 4557 1.850 1.287 0.466 1.00 0.00 WT1 O ATOM 14861 H1 TIP3 4557 -6.838 -9.326 19.710 1.00 0.00 WT1 H ATOM 14862 H2 TIP3 4557 -5.223 -11.261 -12.637 1.00 0.00 WT1 H ATOM 14863 OH2 TIP3 4558 -2.291 4.071 4.517 1.00 0.00 WT1 O ATOM 14864 H1 TIP3 4558 6.854 3.296 7.829 1.00 0.00 WT1 H ATOM 14865 H2 TIP3 4558 -7.283 7.725 0.715 1.00 0.00 WT1 H ATOM 14866 OH2 TIP3 4559 1.061 -0.395 -4.211 1.00 0.00 WT1 O ATOM 14867 H1 TIP3 4559 -11.615 30.988 5.968 1.00 0.00 WT1 H ATOM 14868 H2 TIP3 4559 35.077 -9.706 10.907 1.00 0.00 WT1 H ATOM 14869 OH2 TIP3 4560 8.044 1.542 -3.947 1.00 0.00 WT1 O ATOM 14870 H1 TIP3 4560 0.676 12.567 -8.904 1.00 0.00 WT1 H ATOM 14871 H2 TIP3 4560 -4.358 15.637 -13.402 1.00 0.00 WT1 H ATOM 14872 OH2 TIP3 4561 -3.136 3.446 -1.018 1.00 0.00 WT1 O ATOM 14873 H1 TIP3 4561 -17.420 12.189 -10.774 1.00 0.00 WT1 H ATOM 14874 H2 TIP3 4561 -4.126 3.787 -1.613 1.00 0.00 WT1 H ATOM 14875 OH2 TIP3 4562 -3.397 -8.208 0.296 1.00 0.00 WT1 O ATOM 14876 H1 TIP3 4562 -13.175 -1.127 -3.799 1.00 0.00 WT1 H ATOM 14877 H2 TIP3 4562 2.070 -13.404 -10.807 1.00 0.00 WT1 H ATOM 14878 OH2 TIP3 4563 5.561 -4.947 -1.165 1.00 0.00 WT1 O ATOM 14879 H1 TIP3 4563 5.973 -4.973 13.925 1.00 0.00 WT1 H ATOM 14880 H2 TIP3 4563 -3.496 14.064 -15.359 1.00 0.00 WT1 H ATOM 14881 OH2 TIP3 4564 -2.173 0.375 -1.539 1.00 0.00 WT1 O ATOM 14882 H1 TIP3 4564 11.241 4.432 10.648 1.00 0.00 WT1 H ATOM 14883 H2 TIP3 4564 0.173 -5.491 -7.488 1.00 0.00 WT1 H ATOM 14884 OH2 TIP3 4565 -1.718 -1.047 4.599 1.00 0.00 WT1 O ATOM 14885 H1 TIP3 4565 0.168 -27.207 -3.734 1.00 0.00 WT1 H ATOM 14886 H2 TIP3 4565 12.986 -11.744 -1.795 1.00 0.00 WT1 H ATOM 14887 OH2 TIP3 4569 -5.927 6.843 0.713 1.00 0.00 WT1 O ATOM 14888 H1 TIP3 4569 -8.346 -22.423 11.651 1.00 0.00 WT1 H ATOM 14889 H2 TIP3 4569 -1.376 -6.586 -1.050 1.00 0.00 WT1 H ATOM 14890 OH2 TIP3 4570 4.312 3.667 -3.939 1.00 0.00 WT1 O ATOM 14891 H1 TIP3 4570 22.047 -21.622 -17.749 1.00 0.00 WT1 H ATOM 14892 H2 TIP3 4570 -2.123 6.579 1.460 1.00 0.00 WT1 H ATOM 14893 OH2 TIP3 4571 -5.473 -5.568 3.483 1.00 0.00 WT1 O ATOM 14894 H1 TIP3 4571 1.763 2.715 21.579 1.00 0.00 WT1 H ATOM 14895 H2 TIP3 4571 3.878 -4.270 -10.332 1.00 0.00 WT1 H ATOM 14896 OH2 TIP3 4573 9.311 3.494 2.854 1.00 0.00 WT1 O ATOM 14897 H1 TIP3 4573 5.037 4.148 -0.927 1.00 0.00 WT1 H ATOM 14898 H2 TIP3 4573 23.936 0.885 9.419 1.00 0.00 WT1 H ATOM 14899 OH2 TIP3 4574 -0.120 -3.206 4.804 1.00 0.00 WT1 O ATOM 14900 H1 TIP3 4574 -6.161 6.208 -0.165 1.00 0.00 WT1 H ATOM 14901 H2 TIP3 4574 7.623 -0.337 4.883 1.00 0.00 WT1 H ATOM 14902 OH2 TIP3 4575 4.194 -3.729 -5.754 1.00 0.00 WT1 O ATOM 14903 H1 TIP3 4575 -1.008 -3.997 7.431 1.00 0.00 WT1 H ATOM 14904 H2 TIP3 4575 13.806 -10.395 -3.462 1.00 0.00 WT1 H ATOM 14905 OH2 TIP3 4576 2.484 -0.566 6.009 1.00 0.00 WT1 O ATOM 14906 H1 TIP3 4576 -0.096 0.272 4.484 1.00 0.00 WT1 H ATOM 14907 H2 TIP3 4576 2.869 -1.834 12.783 1.00 0.00 WT1 H ATOM 14908 OH2 TIP3 4577 -6.833 -1.462 -2.151 1.00 0.00 WT1 O ATOM 14909 H1 TIP3 4577 3.270 -5.781 -12.178 1.00 0.00 WT1 H ATOM 14910 H2 TIP3 4577 2.983 7.459 34.121 1.00 0.00 WT1 H ATOM 14911 OH2 TIP3 4578 0.212 -1.631 3.385 1.00 0.00 WT1 O ATOM 14912 H1 TIP3 4578 -2.253 12.812 16.248 1.00 0.00 WT1 H ATOM 14913 H2 TIP3 4578 -3.362 1.657 -14.875 1.00 0.00 WT1 H ATOM 14914 OH2 TIP3 4579 7.234 -5.500 -0.927 1.00 0.00 WT1 O ATOM 14915 H1 TIP3 4579 1.400 -1.264 6.839 1.00 0.00 WT1 H ATOM 14916 H2 TIP3 4579 1.665 -9.669 9.589 1.00 0.00 WT1 H ATOM 14917 OH2 TIP3 4580 3.850 -0.479 -1.430 1.00 0.00 WT1 O ATOM 14918 H1 TIP3 4580 13.549 -0.954 -12.080 1.00 0.00 WT1 H ATOM 14919 H2 TIP3 4580 -5.131 6.259 -10.290 1.00 0.00 WT1 H ATOM 14920 OH2 TIP3 4581 -0.594 3.885 4.199 1.00 0.00 WT1 O ATOM 14921 H1 TIP3 4581 -8.934 22.428 -18.337 1.00 0.00 WT1 H ATOM 14922 H2 TIP3 4581 -16.908 -20.717 0.027 1.00 0.00 WT1 H ATOM 14923 OH2 TIP3 4582 3.092 0.627 -0.811 1.00 0.00 WT1 O ATOM 14924 H1 TIP3 4582 8.128 2.568 2.997 1.00 0.00 WT1 H ATOM 14925 H2 TIP3 4582 0.132 12.442 9.724 1.00 0.00 WT1 H ATOM 14926 OH2 TIP3 4583 2.983 4.816 0.704 1.00 0.00 WT1 O ATOM 14927 H1 TIP3 4583 6.939 -6.525 -0.365 1.00 0.00 WT1 H ATOM 14928 H2 TIP3 4583 14.587 17.951 -9.264 1.00 0.00 WT1 H ATOM 14929 OH2 TIP3 4584 -6.782 2.437 -5.112 1.00 0.00 WT1 O ATOM 14930 H1 TIP3 4584 -15.343 3.174 -14.762 1.00 0.00 WT1 H ATOM 14931 H2 TIP3 4584 5.255 0.309 2.922 1.00 0.00 WT1 H ATOM 14932 OH2 TIP3 4586 2.680 -3.612 0.969 1.00 0.00 WT1 O ATOM 14933 H1 TIP3 4586 -8.231 40.065 32.007 1.00 0.00 WT1 H ATOM 14934 H2 TIP3 4586 6.336 5.462 16.048 1.00 0.00 WT1 H ATOM 14935 OH2 TIP3 4588 -3.988 -1.072 -4.118 1.00 0.00 WT1 O ATOM 14936 H1 TIP3 4588 -3.058 0.289 0.611 1.00 0.00 WT1 H ATOM 14937 H2 TIP3 4588 -5.040 -3.088 -12.249 1.00 0.00 WT1 H ATOM 14938 OH2 TIP3 4589 0.368 0.373 -4.484 1.00 0.00 WT1 O ATOM 14939 H1 TIP3 4589 11.321 4.519 -18.410 1.00 0.00 WT1 H ATOM 14940 H2 TIP3 4589 -16.919 -20.057 0.604 1.00 0.00 WT1 H ATOM 14941 OH2 TIP3 4591 3.820 0.504 -0.325 1.00 0.00 WT1 O ATOM 14942 H1 TIP3 4591 -5.193 18.294 14.866 1.00 0.00 WT1 H ATOM 14943 H2 TIP3 4591 17.505 -14.325 -12.568 1.00 0.00 WT1 H ATOM 14944 OH2 TIP3 4594 2.051 2.885 -4.323 1.00 0.00 WT1 O ATOM 14945 H1 TIP3 4594 0.744 3.337 11.789 1.00 0.00 WT1 H ATOM 14946 H2 TIP3 4594 -14.282 10.453 8.344 1.00 0.00 WT1 H ATOM 14947 OH2 TIP3 4596 -5.661 -2.675 2.386 1.00 0.00 WT1 O ATOM 14948 H1 TIP3 4596 -12.668 -14.454 -1.186 1.00 0.00 WT1 H ATOM 14949 H2 TIP3 4596 23.985 20.322 -13.806 1.00 0.00 WT1 H ATOM 14950 OH2 TIP3 4597 -3.848 1.889 0.008 1.00 0.00 WT1 O ATOM 14951 H1 TIP3 4597 9.396 -1.491 -5.280 1.00 0.00 WT1 H ATOM 14952 H2 TIP3 4597 23.095 8.064 -10.915 1.00 0.00 WT1 H ATOM 14953 OH2 TIP3 4598 2.884 -5.161 6.261 1.00 0.00 WT1 O ATOM 14954 H1 TIP3 4598 -18.651 3.254 11.022 1.00 0.00 WT1 H ATOM 14955 H2 TIP3 4598 6.288 2.414 33.562 1.00 0.00 WT1 H ATOM 14956 OH2 TIP3 4599 -0.911 -3.775 2.048 1.00 0.00 WT1 O ATOM 14957 H1 TIP3 4599 3.161 22.186 -2.821 1.00 0.00 WT1 H ATOM 14958 H2 TIP3 4599 2.294 22.325 -12.724 1.00 0.00 WT1 H ATOM 14959 OH2 TIP3 4600 -1.749 -4.453 6.646 1.00 0.00 WT1 O ATOM 14960 H1 TIP3 4600 -1.920 8.411 -12.528 1.00 0.00 WT1 H ATOM 14961 H2 TIP3 4600 -1.060 7.538 -6.601 1.00 0.00 WT1 H ATOM 14962 OH2 TIP3 4601 -1.176 -4.174 2.757 1.00 0.00 WT1 O ATOM 14963 H1 TIP3 4601 12.790 -4.025 9.593 1.00 0.00 WT1 H ATOM 14964 H2 TIP3 4601 -3.095 8.934 3.273 1.00 0.00 WT1 H ATOM 14965 OH2 TIP3 4602 0.313 -0.961 8.668 1.00 0.00 WT1 O ATOM 14966 H1 TIP3 4602 3.582 -10.923 -5.117 1.00 0.00 WT1 H ATOM 14967 H2 TIP3 4602 5.941 6.171 10.352 1.00 0.00 WT1 H ATOM 14968 OH2 TIP3 4603 3.952 -1.015 3.061 1.00 0.00 WT1 O ATOM 14969 H1 TIP3 4603 2.874 3.757 -17.538 1.00 0.00 WT1 H ATOM 14970 H2 TIP3 4603 -17.901 14.927 21.055 1.00 0.00 WT1 H ATOM 14971 OH2 TIP3 4605 -1.975 -1.544 7.935 1.00 0.00 WT1 O ATOM 14972 H1 TIP3 4605 -13.453 28.687 18.572 1.00 0.00 WT1 H ATOM 14973 H2 TIP3 4605 3.452 -6.200 23.158 1.00 0.00 WT1 H ATOM 14974 OH2 TIP3 4606 -1.246 0.970 1.106 1.00 0.00 WT1 O ATOM 14975 H1 TIP3 4606 -0.755 29.969 -14.256 1.00 0.00 WT1 H ATOM 14976 H2 TIP3 4606 -16.800 -27.567 5.897 1.00 0.00 WT1 H ATOM 14977 OH2 TIP3 4607 0.938 3.184 -8.180 1.00 0.00 WT1 O ATOM 14978 H1 TIP3 4607 -0.625 -16.395 -19.496 1.00 0.00 WT1 H ATOM 14979 H2 TIP3 4607 -2.349 7.740 -6.702 1.00 0.00 WT1 H ATOM 14980 OH2 TIP3 4609 -2.400 -0.941 -0.175 1.00 0.00 WT1 O ATOM 14981 H1 TIP3 4609 4.368 -13.436 -6.287 1.00 0.00 WT1 H ATOM 14982 H2 TIP3 4609 10.468 -2.028 -7.595 1.00 0.00 WT1 H ATOM 14983 OH2 TIP3 4610 -5.115 -2.218 -2.520 1.00 0.00 WT1 O ATOM 14984 H1 TIP3 4610 10.747 13.343 -15.699 1.00 0.00 WT1 H ATOM 14985 H2 TIP3 4610 14.357 0.976 -1.146 1.00 0.00 WT1 H ATOM 14986 OH2 TIP3 4612 4.253 3.017 -6.201 1.00 0.00 WT1 O ATOM 14987 H1 TIP3 4612 -3.522 -15.835 -11.387 1.00 0.00 WT1 H ATOM 14988 H2 TIP3 4612 5.561 1.717 -19.662 1.00 0.00 WT1 H ATOM 14989 OH2 TIP3 4616 -1.908 -2.779 -7.105 1.00 0.00 WT1 O ATOM 14990 H1 TIP3 4616 2.347 7.848 0.191 1.00 0.00 WT1 H ATOM 14991 H2 TIP3 4616 13.257 -7.536 -10.758 1.00 0.00 WT1 H ATOM 14992 OH2 TIP3 4619 1.278 7.013 -3.374 1.00 0.00 WT1 O ATOM 14993 H1 TIP3 4619 4.017 -12.966 6.888 1.00 0.00 WT1 H ATOM 14994 H2 TIP3 4619 -6.705 25.438 -7.772 1.00 0.00 WT1 H ATOM 14995 OH2 TIP3 4620 1.593 0.711 2.129 1.00 0.00 WT1 O ATOM 14996 H1 TIP3 4620 -8.864 -16.513 -5.245 1.00 0.00 WT1 H ATOM 14997 H2 TIP3 4620 3.464 22.616 2.990 1.00 0.00 WT1 H ATOM 14998 OH2 TIP3 4621 -2.069 0.116 -1.964 1.00 0.00 WT1 O ATOM 14999 H1 TIP3 4621 18.743 22.347 -3.663 1.00 0.00 WT1 H ATOM 15000 H2 TIP3 4621 -1.251 5.399 3.511 1.00 0.00 WT1 H ATOM 15001 OH2 TIP3 4622 3.746 -7.462 -3.334 1.00 0.00 WT1 O ATOM 15002 H1 TIP3 4622 21.310 -5.712 13.421 1.00 0.00 WT1 H ATOM 15003 H2 TIP3 4622 -5.251 2.155 13.130 1.00 0.00 WT1 H ATOM 15004 OH2 TIP3 4623 8.678 -2.250 4.546 1.00 0.00 WT1 O ATOM 15005 H1 TIP3 4623 -7.010 28.863 -38.531 1.00 0.00 WT1 H ATOM 15006 H2 TIP3 4623 -10.754 2.215 7.384 1.00 0.00 WT1 H ATOM 15007 OH2 TIP3 4624 1.673 3.578 1.024 1.00 0.00 WT1 O ATOM 15008 H1 TIP3 4624 17.405 -14.846 19.550 1.00 0.00 WT1 H ATOM 15009 H2 TIP3 4624 -13.426 -10.557 25.060 1.00 0.00 WT1 H ATOM 15010 OH2 TIP3 4625 4.335 4.452 -5.913 1.00 0.00 WT1 O ATOM 15011 H1 TIP3 4625 7.429 21.283 -5.916 1.00 0.00 WT1 H ATOM 15012 H2 TIP3 4625 4.431 -25.033 -2.357 1.00 0.00 WT1 H ATOM 15013 OH2 TIP3 4626 0.540 1.967 2.819 1.00 0.00 WT1 O ATOM 15014 H1 TIP3 4626 -4.123 11.878 18.979 1.00 0.00 WT1 H ATOM 15015 H2 TIP3 4626 -14.828 -6.601 -7.055 1.00 0.00 WT1 H ATOM 15016 OH2 TIP3 4627 -4.300 0.960 -7.068 1.00 0.00 WT1 O ATOM 15017 H1 TIP3 4627 18.702 -7.860 -9.676 1.00 0.00 WT1 H ATOM 15018 H2 TIP3 4627 -3.176 -7.695 -8.792 1.00 0.00 WT1 H ATOM 15019 OH2 TIP3 4628 0.513 1.119 1.327 1.00 0.00 WT1 O ATOM 15020 H1 TIP3 4628 -8.477 -12.934 -2.086 1.00 0.00 WT1 H ATOM 15021 H2 TIP3 4628 2.401 -6.255 -4.649 1.00 0.00 WT1 H ATOM 15022 OH2 TIP3 4629 7.683 -3.451 -1.885 1.00 0.00 WT1 O ATOM 15023 H1 TIP3 4629 -2.383 -4.932 -5.241 1.00 0.00 WT1 H ATOM 15024 H2 TIP3 4629 -13.179 2.213 14.421 1.00 0.00 WT1 H ATOM 15025 OH2 TIP3 4631 -1.827 -0.086 -0.184 1.00 0.00 WT1 O ATOM 15026 H1 TIP3 4631 -0.665 -1.336 -1.167 1.00 0.00 WT1 H ATOM 15027 H2 TIP3 4631 25.975 -18.794 -16.533 1.00 0.00 WT1 H ATOM 15028 OH2 TIP3 4632 6.914 1.004 -2.956 1.00 0.00 WT1 O ATOM 15029 H1 TIP3 4632 -7.790 6.098 -4.294 1.00 0.00 WT1 H ATOM 15030 H2 TIP3 4632 15.182 12.876 4.814 1.00 0.00 WT1 H ATOM 15031 OH2 TIP3 4633 0.073 -0.967 -3.761 1.00 0.00 WT1 O ATOM 15032 H1 TIP3 4633 -20.299 -3.367 -17.277 1.00 0.00 WT1 H ATOM 15033 H2 TIP3 4633 -2.496 20.249 2.182 1.00 0.00 WT1 H ATOM 15034 OH2 TIP3 4637 -7.283 0.070 -3.193 1.00 0.00 WT1 O ATOM 15035 H1 TIP3 4637 -12.971 14.995 -10.624 1.00 0.00 WT1 H ATOM 15036 H2 TIP3 4637 7.029 4.589 5.448 1.00 0.00 WT1 H ATOM 15037 OH2 TIP3 4638 2.133 0.269 -3.678 1.00 0.00 WT1 O ATOM 15038 H1 TIP3 4638 -8.693 4.979 -8.008 1.00 0.00 WT1 H ATOM 15039 H2 TIP3 4638 21.848 -2.564 9.655 1.00 0.00 WT1 H ATOM 15040 OH2 TIP3 4639 -1.659 6.485 -1.356 1.00 0.00 WT1 O ATOM 15041 H1 TIP3 4639 -0.767 4.458 -0.986 1.00 0.00 WT1 H ATOM 15042 H2 TIP3 4639 2.082 3.228 1.877 1.00 0.00 WT1 H ATOM 15043 OH2 TIP3 4640 -3.426 0.498 -7.503 1.00 0.00 WT1 O ATOM 15044 H1 TIP3 4640 -16.176 10.588 1.863 1.00 0.00 WT1 H ATOM 15045 H2 TIP3 4640 0.295 -15.156 -18.538 1.00 0.00 WT1 H ATOM 15046 OH2 TIP3 4641 -1.527 -9.179 1.638 1.00 0.00 WT1 O ATOM 15047 H1 TIP3 4641 12.335 -5.915 -4.193 1.00 0.00 WT1 H ATOM 15048 H2 TIP3 4641 15.049 -5.208 -5.400 1.00 0.00 WT1 H ATOM 15049 OH2 TIP3 4643 -2.079 1.077 2.646 1.00 0.00 WT1 O ATOM 15050 H1 TIP3 4643 1.292 -5.507 2.827 1.00 0.00 WT1 H ATOM 15051 H2 TIP3 4643 9.265 -15.384 -1.967 1.00 0.00 WT1 H ATOM 15052 OH2 TIP3 4645 3.047 4.998 8.207 1.00 0.00 WT1 O ATOM 15053 H1 TIP3 4645 20.911 25.925 0.718 1.00 0.00 WT1 H ATOM 15054 H2 TIP3 4645 -5.699 -7.503 -16.604 1.00 0.00 WT1 H ATOM 15055 OH2 TIP3 4647 -7.140 -2.193 -2.514 1.00 0.00 WT1 O ATOM 15056 H1 TIP3 4647 7.703 2.300 20.144 1.00 0.00 WT1 H ATOM 15057 H2 TIP3 4647 -1.049 -9.035 5.296 1.00 0.00 WT1 H ATOM 15058 OH2 TIP3 4648 -7.064 5.079 -0.222 1.00 0.00 WT1 O ATOM 15059 H1 TIP3 4648 -6.099 -0.228 20.344 1.00 0.00 WT1 H ATOM 15060 H2 TIP3 4648 -5.034 -9.999 -5.320 1.00 0.00 WT1 H ATOM 15061 OH2 TIP3 4649 5.287 -5.507 -3.211 1.00 0.00 WT1 O ATOM 15062 H1 TIP3 4649 -17.631 25.639 3.798 1.00 0.00 WT1 H ATOM 15063 H2 TIP3 4649 -13.015 17.089 -0.498 1.00 0.00 WT1 H ATOM 15064 OH2 TIP3 4650 0.331 -0.942 5.323 1.00 0.00 WT1 O ATOM 15065 H1 TIP3 4650 -19.282 13.373 1.251 1.00 0.00 WT1 H ATOM 15066 H2 TIP3 4650 -8.077 6.405 3.201 1.00 0.00 WT1 H ATOM 15067 OH2 TIP3 4653 -0.809 1.535 -4.045 1.00 0.00 WT1 O ATOM 15068 H1 TIP3 4653 -1.083 -3.188 -4.471 1.00 0.00 WT1 H ATOM 15069 H2 TIP3 4653 -12.540 16.080 -22.758 1.00 0.00 WT1 H ATOM 15070 OH2 TIP3 4654 4.312 -4.935 3.871 1.00 0.00 WT1 O ATOM 15071 H1 TIP3 4654 5.719 -0.754 1.997 1.00 0.00 WT1 H ATOM 15072 H2 TIP3 4654 11.592 -13.323 6.796 1.00 0.00 WT1 H ATOM 15073 OH2 TIP3 4656 -2.517 -4.400 -1.366 1.00 0.00 WT1 O ATOM 15074 H1 TIP3 4656 4.229 -8.952 -10.595 1.00 0.00 WT1 H ATOM 15075 H2 TIP3 4656 -8.090 -1.380 4.553 1.00 0.00 WT1 H ATOM 15076 OH2 TIP3 4657 5.846 4.330 -4.496 1.00 0.00 WT1 O ATOM 15077 H1 TIP3 4657 10.592 9.901 -14.129 1.00 0.00 WT1 H ATOM 15078 H2 TIP3 4657 19.776 -9.950 -8.320 1.00 0.00 WT1 H ATOM 15079 OH2 TIP3 4658 -6.921 -1.178 2.174 1.00 0.00 WT1 O ATOM 15080 H1 TIP3 4658 7.722 20.856 10.015 1.00 0.00 WT1 H ATOM 15081 H2 TIP3 4658 -11.979 -5.401 3.094 1.00 0.00 WT1 H ATOM 15082 OH2 TIP3 4660 -0.910 2.123 0.071 1.00 0.00 WT1 O ATOM 15083 H1 TIP3 4660 24.310 -1.333 3.630 1.00 0.00 WT1 H ATOM 15084 H2 TIP3 4660 -3.980 -6.728 0.237 1.00 0.00 WT1 H ATOM 15085 OH2 TIP3 4661 -9.645 9.765 -0.021 1.00 0.00 WT1 O ATOM 15086 H1 TIP3 4661 1.232 23.221 7.976 1.00 0.00 WT1 H ATOM 15087 H2 TIP3 4661 -24.494 18.280 -3.217 1.00 0.00 WT1 H ATOM 15088 OH2 TIP3 4662 2.839 -5.279 -3.932 1.00 0.00 WT1 O ATOM 15089 H1 TIP3 4662 -1.832 -5.897 2.956 1.00 0.00 WT1 H ATOM 15090 H2 TIP3 4662 10.135 -6.470 -10.849 1.00 0.00 WT1 H ATOM 15091 OH2 TIP3 4663 1.641 -5.895 0.171 1.00 0.00 WT1 O ATOM 15092 H1 TIP3 4663 -3.244 -16.202 5.330 1.00 0.00 WT1 H ATOM 15093 H2 TIP3 4663 -5.169 -17.149 13.663 1.00 0.00 WT1 H ATOM 15094 OH2 TIP3 4664 1.987 2.952 -7.393 1.00 0.00 WT1 O ATOM 15095 H1 TIP3 4664 1.996 -1.312 -0.999 1.00 0.00 WT1 H ATOM 15096 H2 TIP3 4664 2.338 0.874 -3.933 1.00 0.00 WT1 H ATOM 15097 OH2 TIP3 4665 1.204 7.487 1.657 1.00 0.00 WT1 O ATOM 15098 H1 TIP3 4665 4.024 -3.126 -0.528 1.00 0.00 WT1 H ATOM 15099 H2 TIP3 4665 4.969 -20.895 -3.768 1.00 0.00 WT1 H ATOM 15100 OH2 TIP3 4666 -1.998 0.093 6.343 1.00 0.00 WT1 O ATOM 15101 H1 TIP3 4666 -0.272 3.116 -5.336 1.00 0.00 WT1 H ATOM 15102 H2 TIP3 4666 -6.365 1.743 18.070 1.00 0.00 WT1 H ATOM 15103 OH2 TIP3 4667 3.082 7.979 -6.571 1.00 0.00 WT1 O ATOM 15104 H1 TIP3 4667 -11.325 -33.966 14.453 1.00 0.00 WT1 H ATOM 15105 H2 TIP3 4667 -1.583 -15.434 34.579 1.00 0.00 WT1 H ATOM 15106 OH2 TIP3 4668 -6.554 0.263 -2.257 1.00 0.00 WT1 O ATOM 15107 H1 TIP3 4668 -8.847 -6.858 6.829 1.00 0.00 WT1 H ATOM 15108 H2 TIP3 4668 17.945 -1.303 -8.571 1.00 0.00 WT1 H ATOM 15109 OH2 TIP3 4669 2.237 1.041 -0.348 1.00 0.00 WT1 O ATOM 15110 H1 TIP3 4669 -31.280 -1.109 -23.822 1.00 0.00 WT1 H ATOM 15111 H2 TIP3 4669 -32.363 -4.851 -28.378 1.00 0.00 WT1 H ATOM 15112 OH2 TIP3 4670 1.071 0.298 -9.694 1.00 0.00 WT1 O ATOM 15113 H1 TIP3 4670 13.923 8.948 -8.571 1.00 0.00 WT1 H ATOM 15114 H2 TIP3 4670 -4.485 -4.844 -9.081 1.00 0.00 WT1 H ATOM 15115 OH2 TIP3 4672 -2.621 -2.581 2.276 1.00 0.00 WT1 O ATOM 15116 H1 TIP3 4672 -15.652 -5.917 -20.468 1.00 0.00 WT1 H ATOM 15117 H2 TIP3 4672 -20.061 -12.536 35.392 1.00 0.00 WT1 H ATOM 15118 OH2 TIP3 4673 -3.272 0.689 -1.354 1.00 0.00 WT1 O ATOM 15119 H1 TIP3 4673 -5.475 3.247 -1.330 1.00 0.00 WT1 H ATOM 15120 H2 TIP3 4673 0.635 10.156 8.763 1.00 0.00 WT1 H ATOM 15121 OH2 TIP3 4679 -1.839 -11.110 -4.402 1.00 0.00 WT1 O ATOM 15122 H1 TIP3 4679 18.204 -12.752 -5.210 1.00 0.00 WT1 H ATOM 15123 H2 TIP3 4679 3.181 -15.567 -16.571 1.00 0.00 WT1 H ATOM 15124 OH2 TIP3 4680 -0.589 1.252 -0.453 1.00 0.00 WT1 O ATOM 15125 H1 TIP3 4680 -0.391 11.058 -11.230 1.00 0.00 WT1 H ATOM 15126 H2 TIP3 4680 0.897 -2.507 -19.693 1.00 0.00 WT1 H ATOM 15127 OH2 TIP3 4681 1.808 -1.139 1.292 1.00 0.00 WT1 O ATOM 15128 H1 TIP3 4681 3.165 15.557 -7.674 1.00 0.00 WT1 H ATOM 15129 H2 TIP3 4681 -1.533 -11.615 1.869 1.00 0.00 WT1 H ATOM 15130 OH2 TIP3 4682 -7.129 -2.416 -3.851 1.00 0.00 WT1 O ATOM 15131 H1 TIP3 4682 -12.152 4.371 -7.193 1.00 0.00 WT1 H ATOM 15132 H2 TIP3 4682 14.777 -7.282 24.398 1.00 0.00 WT1 H ATOM 15133 OH2 TIP3 4683 -3.502 1.831 -4.676 1.00 0.00 WT1 O ATOM 15134 H1 TIP3 4683 -15.682 -8.064 -8.597 1.00 0.00 WT1 H ATOM 15135 H2 TIP3 4683 -3.936 -4.652 -1.294 1.00 0.00 WT1 H ATOM 15136 OH2 TIP3 4684 5.955 -0.973 -2.904 1.00 0.00 WT1 O ATOM 15137 H1 TIP3 4684 19.972 -14.318 7.991 1.00 0.00 WT1 H ATOM 15138 H2 TIP3 4684 -4.945 5.949 5.741 1.00 0.00 WT1 H ATOM 15139 OH2 TIP3 4685 -3.746 1.372 -2.826 1.00 0.00 WT1 O ATOM 15140 H1 TIP3 4685 -36.179 -15.832 -6.698 1.00 0.00 WT1 H ATOM 15141 H2 TIP3 4685 -28.968 -6.002 10.830 1.00 0.00 WT1 H ATOM 15142 OH2 TIP3 4686 -6.078 8.473 -1.099 1.00 0.00 WT1 O ATOM 15143 H1 TIP3 4686 -14.118 21.845 3.468 1.00 0.00 WT1 H ATOM 15144 H2 TIP3 4686 -7.167 -6.500 -5.926 1.00 0.00 WT1 H ATOM 15145 OH2 TIP3 4687 -8.600 -3.844 0.034 1.00 0.00 WT1 O ATOM 15146 H1 TIP3 4687 -19.088 -23.263 3.607 1.00 0.00 WT1 H ATOM 15147 H2 TIP3 4687 26.125 -8.668 3.322 1.00 0.00 WT1 H ATOM 15148 OH2 TIP3 4690 2.352 1.994 -4.127 1.00 0.00 WT1 O ATOM 15149 H1 TIP3 4690 7.857 -1.528 6.585 1.00 0.00 WT1 H ATOM 15150 H2 TIP3 4690 -18.639 6.835 -4.331 1.00 0.00 WT1 H ATOM 15151 OH2 TIP3 4691 3.028 -1.522 3.258 1.00 0.00 WT1 O ATOM 15152 H1 TIP3 4691 8.176 -1.244 11.387 1.00 0.00 WT1 H ATOM 15153 H2 TIP3 4691 -0.660 4.855 2.167 1.00 0.00 WT1 H ATOM 15154 OH2 TIP3 4694 9.778 -5.102 6.524 1.00 0.00 WT1 O ATOM 15155 H1 TIP3 4694 4.703 7.628 -1.656 1.00 0.00 WT1 H ATOM 15156 H2 TIP3 4694 -3.053 13.376 0.413 1.00 0.00 WT1 H ATOM 15157 OH2 TIP3 4701 2.167 -5.239 -2.147 1.00 0.00 WT1 O ATOM 15158 H1 TIP3 4701 1.030 -3.855 -5.428 1.00 0.00 WT1 H ATOM 15159 H2 TIP3 4701 -15.870 6.504 -21.903 1.00 0.00 WT1 H ATOM 15160 OH2 TIP3 4702 -1.266 5.735 4.745 1.00 0.00 WT1 O ATOM 15161 H1 TIP3 4702 1.558 9.579 20.692 1.00 0.00 WT1 H ATOM 15162 H2 TIP3 4702 3.964 1.564 -9.114 1.00 0.00 WT1 H ATOM 15163 OH2 TIP3 4703 4.612 5.146 3.592 1.00 0.00 WT1 O ATOM 15164 H1 TIP3 4703 18.368 -24.508 7.092 1.00 0.00 WT1 H ATOM 15165 H2 TIP3 4703 8.686 18.835 3.390 1.00 0.00 WT1 H ATOM 15166 OH2 TIP3 4704 6.807 6.694 -1.835 1.00 0.00 WT1 O ATOM 15167 H1 TIP3 4704 -13.839 11.258 7.669 1.00 0.00 WT1 H ATOM 15168 H2 TIP3 4704 -3.864 16.548 2.135 1.00 0.00 WT1 H ATOM 15169 OH2 TIP3 4705 0.574 -0.098 6.327 1.00 0.00 WT1 O ATOM 15170 H1 TIP3 4705 -7.556 22.339 2.996 1.00 0.00 WT1 H ATOM 15171 H2 TIP3 4705 1.139 0.890 -8.615 1.00 0.00 WT1 H ATOM 15172 OH2 TIP3 4706 -10.967 -1.899 -3.708 1.00 0.00 WT1 O ATOM 15173 H1 TIP3 4706 -0.692 7.187 8.867 1.00 0.00 WT1 H ATOM 15174 H2 TIP3 4706 1.530 -13.878 -10.154 1.00 0.00 WT1 H ATOM 15175 OH2 TIP3 4707 -3.560 0.355 -0.501 1.00 0.00 WT1 O ATOM 15176 H1 TIP3 4707 -12.129 -7.508 0.720 1.00 0.00 WT1 H ATOM 15177 H2 TIP3 4707 7.795 -14.378 -3.664 1.00 0.00 WT1 H ATOM 15178 OH2 TIP3 4708 5.853 5.494 4.149 1.00 0.00 WT1 O ATOM 15179 H1 TIP3 4708 30.038 -2.258 2.853 1.00 0.00 WT1 H ATOM 15180 H2 TIP3 4708 23.411 16.407 19.304 1.00 0.00 WT1 H ATOM 15181 OH2 TIP3 4709 -2.011 -2.544 -1.685 1.00 0.00 WT1 O ATOM 15182 H1 TIP3 4709 -0.394 -2.494 -0.113 1.00 0.00 WT1 H ATOM 15183 H2 TIP3 4709 26.288 9.112 7.015 1.00 0.00 WT1 H ATOM 15184 OH2 TIP3 4710 -4.552 5.220 1.902 1.00 0.00 WT1 O ATOM 15185 H1 TIP3 4710 -1.435 9.555 -9.333 1.00 0.00 WT1 H ATOM 15186 H2 TIP3 4710 2.880 5.302 -4.067 1.00 0.00 WT1 H ATOM 15187 OH2 TIP3 4712 -6.532 -1.533 -2.604 1.00 0.00 WT1 O ATOM 15188 H1 TIP3 4712 -6.147 8.209 3.533 1.00 0.00 WT1 H ATOM 15189 H2 TIP3 4712 -16.282 -12.274 -2.580 1.00 0.00 WT1 H ATOM 15190 OH2 TIP3 4713 4.941 5.839 -1.348 1.00 0.00 WT1 O ATOM 15191 H1 TIP3 4713 23.053 20.827 13.936 1.00 0.00 WT1 H ATOM 15192 H2 TIP3 4713 -8.906 12.254 9.914 1.00 0.00 WT1 H ATOM 15193 OH2 TIP3 4717 0.239 -0.646 -0.889 1.00 0.00 WT1 O ATOM 15194 H1 TIP3 4717 2.690 -4.370 4.504 1.00 0.00 WT1 H ATOM 15195 H2 TIP3 4717 12.863 -10.120 12.837 1.00 0.00 WT1 H ATOM 15196 OH2 TIP3 4719 1.728 -6.934 -0.639 1.00 0.00 WT1 O ATOM 15197 H1 TIP3 4719 16.767 3.585 19.645 1.00 0.00 WT1 H ATOM 15198 H2 TIP3 4719 -7.391 1.990 2.408 1.00 0.00 WT1 H ATOM 15199 OH2 TIP3 4721 2.773 1.810 0.870 1.00 0.00 WT1 O ATOM 15200 H1 TIP3 4721 19.535 22.530 1.389 1.00 0.00 WT1 H ATOM 15201 H2 TIP3 4721 -8.823 -16.484 0.044 1.00 0.00 WT1 H ATOM 15202 OH2 TIP3 4722 2.888 -3.020 -7.994 1.00 0.00 WT1 O ATOM 15203 H1 TIP3 4722 -18.469 3.826 10.517 1.00 0.00 WT1 H ATOM 15204 H2 TIP3 4722 8.885 19.442 -3.529 1.00 0.00 WT1 H ATOM 15205 OH2 TIP3 4723 3.937 1.506 2.074 1.00 0.00 WT1 O ATOM 15206 H1 TIP3 4723 -3.936 17.929 -6.902 1.00 0.00 WT1 H ATOM 15207 H2 TIP3 4723 11.627 -5.103 10.952 1.00 0.00 WT1 H ATOM 15208 OH2 TIP3 4724 2.674 -1.354 -2.287 1.00 0.00 WT1 O ATOM 15209 H1 TIP3 4724 -7.838 6.332 -13.816 1.00 0.00 WT1 H ATOM 15210 H2 TIP3 4724 0.888 17.281 0.683 1.00 0.00 WT1 H ATOM 15211 OH2 TIP3 4725 3.108 2.213 2.073 1.00 0.00 WT1 O ATOM 15212 H1 TIP3 4725 9.892 -6.526 14.179 1.00 0.00 WT1 H ATOM 15213 H2 TIP3 4725 -1.782 8.563 -10.563 1.00 0.00 WT1 H ATOM 15214 OH2 TIP3 4726 0.292 1.653 -3.206 1.00 0.00 WT1 O ATOM 15215 H1 TIP3 4726 11.358 8.294 -6.162 1.00 0.00 WT1 H ATOM 15216 H2 TIP3 4726 7.253 -10.203 3.194 1.00 0.00 WT1 H ATOM 15217 OH2 TIP3 4727 11.611 2.092 5.173 1.00 0.00 WT1 O ATOM 15218 H1 TIP3 4727 20.534 9.233 -7.354 1.00 0.00 WT1 H ATOM 15219 H2 TIP3 4727 5.578 9.227 13.264 1.00 0.00 WT1 H ATOM 15220 OH2 TIP3 4729 3.709 -4.888 9.608 1.00 0.00 WT1 O ATOM 15221 H1 TIP3 4729 2.615 -5.246 10.175 1.00 0.00 WT1 H ATOM 15222 H2 TIP3 4729 2.919 -2.476 7.174 1.00 0.00 WT1 H ATOM 15223 OH2 TIP3 4732 1.710 -3.873 -2.065 1.00 0.00 WT1 O ATOM 15224 H1 TIP3 4732 -11.264 13.323 -16.997 1.00 0.00 WT1 H ATOM 15225 H2 TIP3 4732 -5.805 5.932 -15.060 1.00 0.00 WT1 H ATOM 15226 OH2 TIP3 4733 -3.632 0.438 -2.805 1.00 0.00 WT1 O ATOM 15227 H1 TIP3 4733 29.158 -17.878 0.481 1.00 0.00 WT1 H ATOM 15228 H2 TIP3 4733 6.048 3.953 4.660 1.00 0.00 WT1 H ATOM 15229 OH2 TIP3 4736 7.501 -0.578 -1.181 1.00 0.00 WT1 O ATOM 15230 H1 TIP3 4736 10.142 -5.149 -3.917 1.00 0.00 WT1 H ATOM 15231 H2 TIP3 4736 7.158 -2.357 3.172 1.00 0.00 WT1 H ATOM 15232 OH2 TIP3 4737 -3.013 2.198 -3.242 1.00 0.00 WT1 O ATOM 15233 H1 TIP3 4737 15.233 -5.155 25.644 1.00 0.00 WT1 H ATOM 15234 H2 TIP3 4737 -8.277 24.522 10.840 1.00 0.00 WT1 H ATOM 15235 OH2 TIP3 4739 3.503 5.100 7.029 1.00 0.00 WT1 O ATOM 15236 H1 TIP3 4739 3.015 10.084 -13.975 1.00 0.00 WT1 H ATOM 15237 H2 TIP3 4739 7.006 -7.566 4.772 1.00 0.00 WT1 H ATOM 15238 OH2 TIP3 4743 -3.617 -0.782 3.203 1.00 0.00 WT1 O ATOM 15239 H1 TIP3 4743 22.622 4.686 -7.708 1.00 0.00 WT1 H ATOM 15240 H2 TIP3 4743 0.571 -5.698 -17.726 1.00 0.00 WT1 H ATOM 15241 OH2 TIP3 4746 -1.827 -2.153 6.351 1.00 0.00 WT1 O ATOM 15242 H1 TIP3 4746 2.779 -8.817 8.152 1.00 0.00 WT1 H ATOM 15243 H2 TIP3 4746 -11.065 16.134 -0.902 1.00 0.00 WT1 H ATOM 15244 OH2 TIP3 4747 3.309 0.358 -1.386 1.00 0.00 WT1 O ATOM 15245 H1 TIP3 4747 -16.183 11.724 -9.175 1.00 0.00 WT1 H ATOM 15246 H2 TIP3 4747 -18.057 16.237 12.440 1.00 0.00 WT1 H ATOM 15247 OH2 TIP3 4748 0.227 -5.880 -9.328 1.00 0.00 WT1 O ATOM 15248 H1 TIP3 4748 -6.581 1.790 -22.864 1.00 0.00 WT1 H ATOM 15249 H2 TIP3 4748 35.038 -5.616 0.216 1.00 0.00 WT1 H ATOM 15250 OH2 TIP3 4749 -3.083 -1.456 1.555 1.00 0.00 WT1 O ATOM 15251 H1 TIP3 4749 -0.169 16.275 3.924 1.00 0.00 WT1 H ATOM 15252 H2 TIP3 4749 16.084 -18.850 19.551 1.00 0.00 WT1 H ATOM 15253 OH2 TIP3 4750 -5.221 1.578 -0.642 1.00 0.00 WT1 O ATOM 15254 H1 TIP3 4750 1.754 17.654 7.412 1.00 0.00 WT1 H ATOM 15255 H2 TIP3 4750 -10.631 16.207 -4.623 1.00 0.00 WT1 H ATOM 15256 OH2 TIP3 4751 5.797 -6.455 -1.220 1.00 0.00 WT1 O ATOM 15257 H1 TIP3 4751 -12.415 -2.281 -2.275 1.00 0.00 WT1 H ATOM 15258 H2 TIP3 4751 26.756 23.529 -16.399 1.00 0.00 WT1 H ATOM 15259 OH2 TIP3 4752 1.952 5.269 1.433 1.00 0.00 WT1 O ATOM 15260 H1 TIP3 4752 -7.692 -10.328 -0.093 1.00 0.00 WT1 H ATOM 15261 H2 TIP3 4752 -2.904 -19.157 -10.874 1.00 0.00 WT1 H ATOM 15262 OH2 TIP3 4754 3.936 2.656 -2.244 1.00 0.00 WT1 O ATOM 15263 H1 TIP3 4754 10.098 -18.126 14.979 1.00 0.00 WT1 H ATOM 15264 H2 TIP3 4754 3.571 5.246 -2.932 1.00 0.00 WT1 H ATOM 15265 OH2 TIP3 4759 3.728 -0.911 0.094 1.00 0.00 WT1 O ATOM 15266 H1 TIP3 4759 -17.254 2.202 24.676 1.00 0.00 WT1 H ATOM 15267 H2 TIP3 4759 3.423 2.238 18.787 1.00 0.00 WT1 H ATOM 15268 OH2 TIP3 4760 4.644 1.598 6.379 1.00 0.00 WT1 O ATOM 15269 H1 TIP3 4760 -9.539 35.005 7.329 1.00 0.00 WT1 H ATOM 15270 H2 TIP3 4760 5.990 26.682 4.518 1.00 0.00 WT1 H ATOM 15271 OH2 TIP3 4761 1.452 1.856 -4.836 1.00 0.00 WT1 O ATOM 15272 H1 TIP3 4761 16.747 10.656 -3.507 1.00 0.00 WT1 H ATOM 15273 H2 TIP3 4761 -9.564 -2.966 -0.187 1.00 0.00 WT1 H ATOM 15274 OH2 TIP3 4765 -0.086 0.442 0.377 1.00 0.00 WT1 O ATOM 15275 H1 TIP3 4765 0.172 -2.022 -6.676 1.00 0.00 WT1 H ATOM 15276 H2 TIP3 4765 -1.755 0.756 8.218 1.00 0.00 WT1 H ATOM 15277 OH2 TIP3 4767 -4.428 3.324 1.550 1.00 0.00 WT1 O ATOM 15278 H1 TIP3 4767 3.811 -6.629 10.082 1.00 0.00 WT1 H ATOM 15279 H2 TIP3 4767 4.844 2.801 -6.827 1.00 0.00 WT1 H ATOM 15280 OH2 TIP3 4768 -0.327 -1.196 -0.340 1.00 0.00 WT1 O ATOM 15281 H1 TIP3 4768 13.133 -24.917 3.972 1.00 0.00 WT1 H ATOM 15282 H2 TIP3 4768 9.212 -21.322 -2.712 1.00 0.00 WT1 H ATOM 15283 OH2 TIP3 4769 -0.751 1.819 0.190 1.00 0.00 WT1 O ATOM 15284 H1 TIP3 4769 7.415 9.879 -20.411 1.00 0.00 WT1 H ATOM 15285 H2 TIP3 4769 -24.663 -7.773 -7.899 1.00 0.00 WT1 H ATOM 15286 OH2 TIP3 4770 5.762 -2.551 8.881 1.00 0.00 WT1 O ATOM 15287 H1 TIP3 4770 5.243 -0.197 11.867 1.00 0.00 WT1 H ATOM 15288 H2 TIP3 4770 7.155 -1.057 -6.835 1.00 0.00 WT1 H ATOM 15289 OH2 TIP3 4771 1.951 4.402 6.034 1.00 0.00 WT1 O ATOM 15290 H1 TIP3 4771 -16.422 20.024 -11.859 1.00 0.00 WT1 H ATOM 15291 H2 TIP3 4771 -16.165 -13.367 -15.333 1.00 0.00 WT1 H ATOM 15292 OH2 TIP3 4772 -0.157 -2.377 -1.200 1.00 0.00 WT1 O ATOM 15293 H1 TIP3 4772 -1.124 -8.841 9.418 1.00 0.00 WT1 H ATOM 15294 H2 TIP3 4772 4.996 2.552 -0.918 1.00 0.00 WT1 H ATOM 15295 OH2 TIP3 4773 -1.347 2.067 7.463 1.00 0.00 WT1 O ATOM 15296 H1 TIP3 4773 7.630 4.416 12.928 1.00 0.00 WT1 H ATOM 15297 H2 TIP3 4773 6.160 18.459 3.596 1.00 0.00 WT1 H ATOM 15298 OH2 TIP3 4774 4.042 -9.906 3.549 1.00 0.00 WT1 O ATOM 15299 H1 TIP3 4774 16.867 3.749 -21.843 1.00 0.00 WT1 H ATOM 15300 H2 TIP3 4774 0.168 10.137 26.507 1.00 0.00 WT1 H ATOM 15301 OH2 TIP3 4776 -0.366 1.751 -3.173 1.00 0.00 WT1 O ATOM 15302 H1 TIP3 4776 0.749 25.927 -2.417 1.00 0.00 WT1 H ATOM 15303 H2 TIP3 4776 2.274 -15.671 -4.272 1.00 0.00 WT1 H ATOM 15304 OH2 TIP3 4777 -6.231 -2.412 7.513 1.00 0.00 WT1 O ATOM 15305 H1 TIP3 4777 -8.933 -0.314 8.337 1.00 0.00 WT1 H ATOM 15306 H2 TIP3 4777 -10.486 -3.683 8.241 1.00 0.00 WT1 H ATOM 15307 OH2 TIP3 4779 -2.477 -0.417 1.191 1.00 0.00 WT1 O ATOM 15308 H1 TIP3 4779 -10.784 -1.197 -6.863 1.00 0.00 WT1 H ATOM 15309 H2 TIP3 4779 -3.351 -0.147 -2.160 1.00 0.00 WT1 H ATOM 15310 OH2 TIP3 4783 4.947 0.060 -2.666 1.00 0.00 WT1 O ATOM 15311 H1 TIP3 4783 -9.791 -7.281 -0.433 1.00 0.00 WT1 H ATOM 15312 H2 TIP3 4783 -6.340 -8.096 -9.342 1.00 0.00 WT1 H ATOM 15313 OH2 TIP3 4786 -0.695 -1.570 -1.907 1.00 0.00 WT1 O ATOM 15314 H1 TIP3 4786 -1.365 -14.879 -7.060 1.00 0.00 WT1 H ATOM 15315 H2 TIP3 4786 -10.513 13.170 0.677 1.00 0.00 WT1 H ATOM 15316 OH2 TIP3 4787 2.795 6.509 1.933 1.00 0.00 WT1 O ATOM 15317 H1 TIP3 4787 -9.658 6.994 0.642 1.00 0.00 WT1 H ATOM 15318 H2 TIP3 4787 4.483 1.384 14.395 1.00 0.00 WT1 H ATOM 15319 OH2 TIP3 4788 3.104 -0.951 6.670 1.00 0.00 WT1 O ATOM 15320 H1 TIP3 4788 1.068 -0.759 21.548 1.00 0.00 WT1 H ATOM 15321 H2 TIP3 4788 -7.864 6.233 1.605 1.00 0.00 WT1 H ATOM 15322 OH2 TIP3 4790 -3.465 -3.523 0.762 1.00 0.00 WT1 O ATOM 15323 H1 TIP3 4790 1.407 1.244 2.608 1.00 0.00 WT1 H ATOM 15324 H2 TIP3 4790 -9.870 -1.466 3.555 1.00 0.00 WT1 H ATOM 15325 OH2 TIP3 4791 2.858 5.977 5.664 1.00 0.00 WT1 O ATOM 15326 H1 TIP3 4791 -6.231 19.392 -5.436 1.00 0.00 WT1 H ATOM 15327 H2 TIP3 4791 -1.220 -3.480 16.305 1.00 0.00 WT1 H ATOM 15328 OH2 TIP3 4793 -1.628 -0.619 0.297 1.00 0.00 WT1 O ATOM 15329 H1 TIP3 4793 14.964 -6.811 -14.993 1.00 0.00 WT1 H ATOM 15330 H2 TIP3 4793 -8.369 -6.632 -8.267 1.00 0.00 WT1 H ATOM 15331 OH2 TIP3 4794 5.927 2.745 -7.542 1.00 0.00 WT1 O ATOM 15332 H1 TIP3 4794 13.627 9.822 -3.694 1.00 0.00 WT1 H ATOM 15333 H2 TIP3 4794 17.085 14.676 26.119 1.00 0.00 WT1 H ATOM 15334 OH2 TIP3 4796 -0.633 -5.297 3.291 1.00 0.00 WT1 O ATOM 15335 H1 TIP3 4796 3.853 0.464 0.033 1.00 0.00 WT1 H ATOM 15336 H2 TIP3 4796 4.491 -18.878 -4.702 1.00 0.00 WT1 H ATOM 15337 OH2 TIP3 4797 1.867 4.909 -7.994 1.00 0.00 WT1 O ATOM 15338 H1 TIP3 4797 -3.331 5.017 -15.009 1.00 0.00 WT1 H ATOM 15339 H2 TIP3 4797 12.273 1.514 -0.261 1.00 0.00 WT1 H ATOM 15340 OH2 TIP3 4798 2.149 3.211 7.316 1.00 0.00 WT1 O ATOM 15341 H1 TIP3 4798 -13.951 -14.507 0.143 1.00 0.00 WT1 H ATOM 15342 H2 TIP3 4798 23.922 31.280 -16.404 1.00 0.00 WT1 H ATOM 15343 OH2 TIP3 4799 5.775 4.665 -1.314 1.00 0.00 WT1 O ATOM 15344 H1 TIP3 4799 16.710 5.205 -4.043 1.00 0.00 WT1 H ATOM 15345 H2 TIP3 4799 1.379 14.202 -5.521 1.00 0.00 WT1 H ATOM 15346 OH2 TIP3 4800 -2.726 -5.347 5.698 1.00 0.00 WT1 O ATOM 15347 H1 TIP3 4800 -0.444 2.672 9.513 1.00 0.00 WT1 H ATOM 15348 H2 TIP3 4800 -7.016 -3.577 -3.107 1.00 0.00 WT1 H ATOM 15349 OH2 TIP3 4801 1.344 -2.922 -1.026 1.00 0.00 WT1 O ATOM 15350 H1 TIP3 4801 4.052 -4.006 -2.717 1.00 0.00 WT1 H ATOM 15351 H2 TIP3 4801 -0.511 11.928 6.190 1.00 0.00 WT1 H ATOM 15352 OH2 TIP3 4804 -4.439 2.086 -2.606 1.00 0.00 WT1 O ATOM 15353 H1 TIP3 4804 -20.716 6.883 -1.562 1.00 0.00 WT1 H ATOM 15354 H2 TIP3 4804 4.205 18.092 -5.676 1.00 0.00 WT1 H ATOM 15355 OH2 TIP3 4805 0.496 2.372 -0.067 1.00 0.00 WT1 O ATOM 15356 H1 TIP3 4805 11.459 2.447 5.569 1.00 0.00 WT1 H ATOM 15357 H2 TIP3 4805 11.905 -5.143 -3.646 1.00 0.00 WT1 H ATOM 15358 OH2 TIP3 4806 2.120 0.807 -2.612 1.00 0.00 WT1 O ATOM 15359 H1 TIP3 4806 -11.874 12.098 -17.522 1.00 0.00 WT1 H ATOM 15360 H2 TIP3 4806 6.818 -10.022 -20.994 1.00 0.00 WT1 H ATOM 15361 OH2 TIP3 4807 0.252 1.262 -0.031 1.00 0.00 WT1 O ATOM 15362 H1 TIP3 4807 14.734 -1.559 2.180 1.00 0.00 WT1 H ATOM 15363 H2 TIP3 4807 10.353 20.294 0.221 1.00 0.00 WT1 H ATOM 15364 OH2 TIP3 4808 -0.434 0.700 1.210 1.00 0.00 WT1 O ATOM 15365 H1 TIP3 4808 -21.291 15.749 -18.514 1.00 0.00 WT1 H ATOM 15366 H2 TIP3 4808 2.030 -2.540 3.154 1.00 0.00 WT1 H ATOM 15367 OH2 TIP3 4809 -1.480 1.282 0.897 1.00 0.00 WT1 O ATOM 15368 H1 TIP3 4809 2.919 -3.165 1.858 1.00 0.00 WT1 H ATOM 15369 H2 TIP3 4809 -9.216 1.945 6.312 1.00 0.00 WT1 H ATOM 15370 OH2 TIP3 4812 1.403 -2.092 11.204 1.00 0.00 WT1 O ATOM 15371 H1 TIP3 4812 3.901 -10.041 5.314 1.00 0.00 WT1 H ATOM 15372 H2 TIP3 4812 -2.354 19.767 22.046 1.00 0.00 WT1 H ATOM 15373 OH2 TIP3 4813 3.466 -8.607 0.085 1.00 0.00 WT1 O ATOM 15374 H1 TIP3 4813 5.804 3.067 6.881 1.00 0.00 WT1 H ATOM 15375 H2 TIP3 4813 2.725 7.845 1.033 1.00 0.00 WT1 H ATOM 15376 OH2 TIP3 4814 1.948 -4.929 -2.455 1.00 0.00 WT1 O ATOM 15377 H1 TIP3 4814 23.573 -2.704 3.109 1.00 0.00 WT1 H ATOM 15378 H2 TIP3 4814 -1.373 -1.877 -11.113 1.00 0.00 WT1 H ATOM 15379 OH2 TIP3 4815 -0.477 -2.306 0.477 1.00 0.00 WT1 O ATOM 15380 H1 TIP3 4815 16.315 -1.138 -8.849 1.00 0.00 WT1 H ATOM 15381 H2 TIP3 4815 4.665 -40.125 -12.506 1.00 0.00 WT1 H ATOM 15382 OH2 TIP3 4816 0.045 -0.284 0.913 1.00 0.00 WT1 O ATOM 15383 H1 TIP3 4816 5.360 11.035 -5.804 1.00 0.00 WT1 H ATOM 15384 H2 TIP3 4816 -10.288 8.087 9.845 1.00 0.00 WT1 H ATOM 15385 OH2 TIP3 4820 -1.458 2.413 -0.093 1.00 0.00 WT1 O ATOM 15386 H1 TIP3 4820 4.810 14.747 13.174 1.00 0.00 WT1 H ATOM 15387 H2 TIP3 4820 25.685 12.604 18.454 1.00 0.00 WT1 H ATOM 15388 OH2 TIP3 4821 -0.529 4.593 -4.006 1.00 0.00 WT1 O ATOM 15389 H1 TIP3 4821 -12.019 19.805 -16.720 1.00 0.00 WT1 H ATOM 15390 H2 TIP3 4821 -4.753 -16.484 -2.936 1.00 0.00 WT1 H ATOM 15391 OH2 TIP3 4822 -1.422 1.094 5.954 1.00 0.00 WT1 O ATOM 15392 H1 TIP3 4822 14.758 -2.812 -9.835 1.00 0.00 WT1 H ATOM 15393 H2 TIP3 4822 10.037 5.588 -8.391 1.00 0.00 WT1 H ATOM 15394 OH2 TIP3 4824 -5.262 -3.612 -4.939 1.00 0.00 WT1 O ATOM 15395 H1 TIP3 4824 5.980 -4.775 7.222 1.00 0.00 WT1 H ATOM 15396 H2 TIP3 4824 11.234 7.382 3.708 1.00 0.00 WT1 H ATOM 15397 OH2 TIP3 4825 2.835 -6.952 -4.507 1.00 0.00 WT1 O ATOM 15398 H1 TIP3 4825 -18.929 18.083 3.358 1.00 0.00 WT1 H ATOM 15399 H2 TIP3 4825 -1.049 -28.970 -0.101 1.00 0.00 WT1 H ATOM 15400 OH2 TIP3 4829 -2.326 -12.197 1.821 1.00 0.00 WT1 O ATOM 15401 H1 TIP3 4829 -1.608 36.547 -5.983 1.00 0.00 WT1 H ATOM 15402 H2 TIP3 4829 -13.883 -28.245 12.903 1.00 0.00 WT1 H ATOM 15403 OH2 TIP3 4832 3.597 6.245 5.242 1.00 0.00 WT1 O ATOM 15404 H1 TIP3 4832 23.194 -7.769 11.998 1.00 0.00 WT1 H ATOM 15405 H2 TIP3 4832 -0.808 -12.157 10.243 1.00 0.00 WT1 H ATOM 15406 OH2 TIP3 4833 2.063 4.959 1.398 1.00 0.00 WT1 O ATOM 15407 H1 TIP3 4833 19.567 9.800 10.838 1.00 0.00 WT1 H ATOM 15408 H2 TIP3 4833 11.712 6.491 6.641 1.00 0.00 WT1 H ATOM 15409 OH2 TIP3 4834 8.309 -5.638 3.467 1.00 0.00 WT1 O ATOM 15410 H1 TIP3 4834 -1.265 -3.499 -17.266 1.00 0.00 WT1 H ATOM 15411 H2 TIP3 4834 2.987 -9.133 10.370 1.00 0.00 WT1 H ATOM 15412 OH2 TIP3 4835 3.673 1.609 0.232 1.00 0.00 WT1 O ATOM 15413 H1 TIP3 4835 19.943 -0.915 -4.483 1.00 0.00 WT1 H ATOM 15414 H2 TIP3 4835 4.924 -15.510 -23.117 1.00 0.00 WT1 H ATOM 15415 OH2 TIP3 4836 -3.504 -2.870 0.916 1.00 0.00 WT1 O ATOM 15416 H1 TIP3 4836 7.844 -2.619 31.642 1.00 0.00 WT1 H ATOM 15417 H2 TIP3 4836 -2.421 0.377 9.208 1.00 0.00 WT1 H ATOM 15418 OH2 TIP3 4837 6.143 -1.515 0.476 1.00 0.00 WT1 O ATOM 15419 H1 TIP3 4837 17.009 -0.529 3.210 1.00 0.00 WT1 H ATOM 15420 H2 TIP3 4837 0.544 4.023 8.154 1.00 0.00 WT1 H ATOM 15421 OH2 TIP3 4838 1.224 5.524 -2.871 1.00 0.00 WT1 O ATOM 15422 H1 TIP3 4838 -3.252 -6.696 -14.892 1.00 0.00 WT1 H ATOM 15423 H2 TIP3 4838 4.007 1.413 -6.377 1.00 0.00 WT1 H ATOM 15424 OH2 TIP3 4839 -3.360 -3.842 2.303 1.00 0.00 WT1 O ATOM 15425 H1 TIP3 4839 -35.230 -2.153 7.896 1.00 0.00 WT1 H ATOM 15426 H2 TIP3 4839 -23.493 1.914 -50.664 1.00 0.00 WT1 H ATOM 15427 OH2 TIP3 4841 -4.598 1.785 -0.138 1.00 0.00 WT1 O ATOM 15428 H1 TIP3 4841 -20.224 6.987 17.565 1.00 0.00 WT1 H ATOM 15429 H2 TIP3 4841 -7.889 -13.451 -2.942 1.00 0.00 WT1 H ATOM 15430 OH2 TIP3 4844 -4.498 3.055 10.385 1.00 0.00 WT1 O ATOM 15431 H1 TIP3 4844 11.256 -15.195 14.386 1.00 0.00 WT1 H ATOM 15432 H2 TIP3 4844 0.813 -7.248 -0.895 1.00 0.00 WT1 H ATOM 15433 OH2 TIP3 4845 -1.763 2.234 -2.807 1.00 0.00 WT1 O ATOM 15434 H1 TIP3 4845 -10.672 -3.639 2.198 1.00 0.00 WT1 H ATOM 15435 H2 TIP3 4845 0.667 13.618 4.187 1.00 0.00 WT1 H ATOM 15436 OH2 TIP3 4847 2.216 0.491 6.082 1.00 0.00 WT1 O ATOM 15437 H1 TIP3 4847 6.788 -2.205 -0.654 1.00 0.00 WT1 H ATOM 15438 H2 TIP3 4847 10.709 -3.611 -5.008 1.00 0.00 WT1 H ATOM 15439 OH2 TIP3 4849 1.368 -0.306 -8.909 1.00 0.00 WT1 O ATOM 15440 H1 TIP3 4849 -5.049 -4.448 7.462 1.00 0.00 WT1 H ATOM 15441 H2 TIP3 4849 9.306 5.271 -9.116 1.00 0.00 WT1 H ATOM 15442 OH2 TIP3 4850 -2.578 -5.143 0.469 1.00 0.00 WT1 O ATOM 15443 H1 TIP3 4850 16.713 5.802 14.046 1.00 0.00 WT1 H ATOM 15444 H2 TIP3 4850 -17.731 10.632 6.060 1.00 0.00 WT1 H ATOM 15445 OH2 TIP3 4851 -0.035 5.452 3.784 1.00 0.00 WT1 O ATOM 15446 H1 TIP3 4851 -10.254 -15.156 5.848 1.00 0.00 WT1 H ATOM 15447 H2 TIP3 4851 31.399 28.750 -9.662 1.00 0.00 WT1 H ATOM 15448 OH2 TIP3 4852 -1.728 3.847 -0.264 1.00 0.00 WT1 O ATOM 15449 H1 TIP3 4852 6.786 -12.666 18.102 1.00 0.00 WT1 H ATOM 15450 H2 TIP3 4852 9.944 12.395 -6.034 1.00 0.00 WT1 H ATOM 15451 OH2 TIP3 4853 4.691 -1.216 -2.053 1.00 0.00 WT1 O ATOM 15452 H1 TIP3 4853 -4.638 4.387 15.315 1.00 0.00 WT1 H ATOM 15453 H2 TIP3 4853 6.503 3.319 -21.377 1.00 0.00 WT1 H ATOM 15454 OH2 TIP3 4854 4.144 1.544 3.057 1.00 0.00 WT1 O ATOM 15455 H1 TIP3 4854 11.396 2.319 10.697 1.00 0.00 WT1 H ATOM 15456 H2 TIP3 4854 -8.383 -18.468 -17.674 1.00 0.00 WT1 H ATOM 15457 OH2 TIP3 4855 -1.701 -1.290 4.421 1.00 0.00 WT1 O ATOM 15458 H1 TIP3 4855 13.902 14.581 0.320 1.00 0.00 WT1 H ATOM 15459 H2 TIP3 4855 1.879 -6.089 -13.915 1.00 0.00 WT1 H ATOM 15460 OH2 TIP3 4856 -1.013 0.345 8.656 1.00 0.00 WT1 O ATOM 15461 H1 TIP3 4856 6.578 16.056 -16.233 1.00 0.00 WT1 H ATOM 15462 H2 TIP3 4856 -13.121 -6.607 22.460 1.00 0.00 WT1 H ATOM 15463 OH2 TIP3 4857 -8.694 -0.575 2.989 1.00 0.00 WT1 O ATOM 15464 H1 TIP3 4857 -9.610 6.293 -1.847 1.00 0.00 WT1 H ATOM 15465 H2 TIP3 4857 5.783 4.794 10.961 1.00 0.00 WT1 H ATOM 15466 OH2 TIP3 4858 -3.073 -2.881 -2.512 1.00 0.00 WT1 O ATOM 15467 H1 TIP3 4858 -2.995 -1.485 -6.352 1.00 0.00 WT1 H ATOM 15468 H2 TIP3 4858 -6.456 2.622 -20.228 1.00 0.00 WT1 H ATOM 15469 OH2 TIP3 4859 2.366 -3.175 6.271 1.00 0.00 WT1 O ATOM 15470 H1 TIP3 4859 0.948 10.687 17.738 1.00 0.00 WT1 H ATOM 15471 H2 TIP3 4859 2.487 -1.197 -1.324 1.00 0.00 WT1 H ATOM 15472 OH2 TIP3 4861 -1.106 0.122 -5.752 1.00 0.00 WT1 O ATOM 15473 H1 TIP3 4861 -1.996 19.919 -7.686 1.00 0.00 WT1 H ATOM 15474 H2 TIP3 4861 11.703 -0.673 11.071 1.00 0.00 WT1 H ATOM 15475 OH2 TIP3 4862 -7.306 7.380 -1.756 1.00 0.00 WT1 O ATOM 15476 H1 TIP3 4862 2.551 6.332 -0.599 1.00 0.00 WT1 H ATOM 15477 H2 TIP3 4862 -2.697 6.404 -1.355 1.00 0.00 WT1 H ATOM 15478 OH2 TIP3 4863 6.982 -5.181 -7.530 1.00 0.00 WT1 O ATOM 15479 H1 TIP3 4863 5.667 -7.126 -3.102 1.00 0.00 WT1 H ATOM 15480 H2 TIP3 4863 6.133 -6.286 -7.260 1.00 0.00 WT1 H ATOM 15481 OH2 TIP3 4864 -3.275 -5.105 -2.446 1.00 0.00 WT1 O ATOM 15482 H1 TIP3 4864 4.809 -2.957 11.057 1.00 0.00 WT1 H ATOM 15483 H2 TIP3 4864 -11.714 2.312 -8.456 1.00 0.00 WT1 H ATOM 15484 OH2 TIP3 4866 -8.379 -0.412 0.582 1.00 0.00 WT1 O ATOM 15485 H1 TIP3 4866 -6.909 -2.410 -0.480 1.00 0.00 WT1 H ATOM 15486 H2 TIP3 4866 15.726 -17.958 -2.878 1.00 0.00 WT1 H ATOM 15487 OH2 TIP3 4869 5.211 0.960 -5.707 1.00 0.00 WT1 O ATOM 15488 H1 TIP3 4869 5.701 0.755 -7.292 1.00 0.00 WT1 H ATOM 15489 H2 TIP3 4869 5.324 3.370 -4.131 1.00 0.00 WT1 H ATOM 15490 OH2 TIP3 4870 4.749 1.198 5.501 1.00 0.00 WT1 O ATOM 15491 H1 TIP3 4870 -2.808 -5.820 11.408 1.00 0.00 WT1 H ATOM 15492 H2 TIP3 4870 5.188 15.934 3.396 1.00 0.00 WT1 H ATOM 15493 OH2 TIP3 4872 5.241 -0.517 -9.667 1.00 0.00 WT1 O ATOM 15494 H1 TIP3 4872 4.198 -3.180 -16.076 1.00 0.00 WT1 H ATOM 15495 H2 TIP3 4872 3.157 -4.883 12.403 1.00 0.00 WT1 H ATOM 15496 OH2 TIP3 4873 -4.183 2.723 2.553 1.00 0.00 WT1 O ATOM 15497 H1 TIP3 4873 -3.958 11.712 -6.248 1.00 0.00 WT1 H ATOM 15498 H2 TIP3 4873 -9.798 4.666 -0.162 1.00 0.00 WT1 H ATOM 15499 OH2 TIP3 4874 -6.291 -4.529 -4.207 1.00 0.00 WT1 O ATOM 15500 H1 TIP3 4874 -6.258 26.138 -16.555 1.00 0.00 WT1 H ATOM 15501 H2 TIP3 4874 3.424 -13.021 -24.593 1.00 0.00 WT1 H ATOM 15502 OH2 TIP3 4875 -3.131 -1.261 4.894 1.00 0.00 WT1 O ATOM 15503 H1 TIP3 4875 -3.817 5.544 4.461 1.00 0.00 WT1 H ATOM 15504 H2 TIP3 4875 1.652 -2.121 0.194 1.00 0.00 WT1 H ATOM 15505 OH2 TIP3 4876 3.474 -4.184 1.111 1.00 0.00 WT1 O ATOM 15506 H1 TIP3 4876 7.342 -4.367 5.693 1.00 0.00 WT1 H ATOM 15507 H2 TIP3 4876 7.349 -1.651 -3.254 1.00 0.00 WT1 H ATOM 15508 OH2 TIP3 4877 2.379 0.555 -0.432 1.00 0.00 WT1 O ATOM 15509 H1 TIP3 4877 -5.564 -8.935 3.600 1.00 0.00 WT1 H ATOM 15510 H2 TIP3 4877 12.082 8.300 18.095 1.00 0.00 WT1 H ATOM 15511 OH2 TIP3 4879 -1.890 5.189 -5.090 1.00 0.00 WT1 O ATOM 15512 H1 TIP3 4879 -15.827 17.061 13.595 1.00 0.00 WT1 H ATOM 15513 H2 TIP3 4879 -19.395 13.137 -16.621 1.00 0.00 WT1 H ATOM 15514 OH2 TIP3 4880 3.199 -3.419 -1.053 1.00 0.00 WT1 O ATOM 15515 H1 TIP3 4880 -10.667 5.927 15.336 1.00 0.00 WT1 H ATOM 15516 H2 TIP3 4880 7.956 -14.043 -25.912 1.00 0.00 WT1 H ATOM 15517 OH2 TIP3 4881 0.437 -4.447 -3.199 1.00 0.00 WT1 O ATOM 15518 H1 TIP3 4881 1.969 -5.886 -1.703 1.00 0.00 WT1 H ATOM 15519 H2 TIP3 4881 2.641 -4.562 -2.937 1.00 0.00 WT1 H ATOM 15520 OH2 TIP3 4882 0.753 -2.658 -6.676 1.00 0.00 WT1 O ATOM 15521 H1 TIP3 4882 0.207 14.019 -9.817 1.00 0.00 WT1 H ATOM 15522 H2 TIP3 4882 15.150 -3.518 5.667 1.00 0.00 WT1 H ATOM 15523 OH2 TIP3 4884 0.712 -1.376 4.128 1.00 0.00 WT1 O ATOM 15524 H1 TIP3 4884 0.623 -0.944 4.854 1.00 0.00 WT1 H ATOM 15525 H2 TIP3 4884 19.002 -27.148 11.382 1.00 0.00 WT1 H ATOM 15526 OH2 TIP3 4887 7.380 -0.081 2.433 1.00 0.00 WT1 O ATOM 15527 H1 TIP3 4887 -6.338 -15.673 -7.854 1.00 0.00 WT1 H ATOM 15528 H2 TIP3 4887 9.494 -0.563 12.550 1.00 0.00 WT1 H ATOM 15529 OH2 TIP3 4888 0.242 -0.891 -7.001 1.00 0.00 WT1 O ATOM 15530 H1 TIP3 4888 -12.567 -12.577 17.204 1.00 0.00 WT1 H ATOM 15531 H2 TIP3 4888 -1.880 1.403 19.667 1.00 0.00 WT1 H ATOM 15532 OH2 TIP3 4890 -4.620 1.397 -0.964 1.00 0.00 WT1 O ATOM 15533 H1 TIP3 4890 -18.668 0.919 -9.073 1.00 0.00 WT1 H ATOM 15534 H2 TIP3 4890 -4.062 -14.470 8.870 1.00 0.00 WT1 H ATOM 15535 OH2 TIP3 4891 -0.437 -0.722 3.577 1.00 0.00 WT1 O ATOM 15536 H1 TIP3 4891 -6.114 -1.494 4.172 1.00 0.00 WT1 H ATOM 15537 H2 TIP3 4891 9.642 0.988 -20.425 1.00 0.00 WT1 H ATOM 15538 OH2 TIP3 4893 -3.015 2.469 1.316 1.00 0.00 WT1 O ATOM 15539 H1 TIP3 4893 -7.466 0.185 -6.124 1.00 0.00 WT1 H ATOM 15540 H2 TIP3 4893 -10.245 1.801 -29.552 1.00 0.00 WT1 H ATOM 15541 OH2 TIP3 4894 -1.958 3.113 2.760 1.00 0.00 WT1 O ATOM 15542 H1 TIP3 4894 9.971 8.365 -13.233 1.00 0.00 WT1 H ATOM 15543 H2 TIP3 4894 -12.912 -11.583 -3.970 1.00 0.00 WT1 H ATOM 15544 OH2 TIP3 4895 2.737 7.507 -3.524 1.00 0.00 WT1 O ATOM 15545 H1 TIP3 4895 15.054 0.657 1.756 1.00 0.00 WT1 H ATOM 15546 H2 TIP3 4895 10.357 -5.128 0.698 1.00 0.00 WT1 H ATOM 15547 OH2 TIP3 4896 3.112 -0.981 -1.879 1.00 0.00 WT1 O ATOM 15548 H1 TIP3 4896 16.464 -12.045 23.973 1.00 0.00 WT1 H ATOM 15549 H2 TIP3 4896 -20.895 5.003 -22.082 1.00 0.00 WT1 H ATOM 15550 OH2 TIP3 4897 3.082 -0.913 2.972 1.00 0.00 WT1 O ATOM 15551 H1 TIP3 4897 -2.403 11.966 -12.380 1.00 0.00 WT1 H ATOM 15552 H2 TIP3 4897 0.869 3.430 -4.579 1.00 0.00 WT1 H ATOM 15553 OH2 TIP3 4898 -1.597 2.194 -2.204 1.00 0.00 WT1 O ATOM 15554 H1 TIP3 4898 -0.051 -1.702 -2.777 1.00 0.00 WT1 H ATOM 15555 H2 TIP3 4898 10.360 -11.161 -6.526 1.00 0.00 WT1 H ATOM 15556 OH2 TIP3 4899 -1.646 -1.402 -8.164 1.00 0.00 WT1 O ATOM 15557 H1 TIP3 4899 -6.206 -7.488 2.919 1.00 0.00 WT1 H ATOM 15558 H2 TIP3 4899 12.937 4.878 -5.513 1.00 0.00 WT1 H ATOM 15559 OH2 TIP3 4900 0.763 1.295 0.236 1.00 0.00 WT1 O ATOM 15560 H1 TIP3 4900 -8.502 4.365 27.738 1.00 0.00 WT1 H ATOM 15561 H2 TIP3 4900 13.975 14.199 -16.433 1.00 0.00 WT1 H ATOM 15562 OH2 TIP3 4901 -0.974 1.296 -6.401 1.00 0.00 WT1 O ATOM 15563 H1 TIP3 4901 -8.278 -1.351 6.763 1.00 0.00 WT1 H ATOM 15564 H2 TIP3 4901 1.275 -3.227 -1.072 1.00 0.00 WT1 H ATOM 15565 OH2 TIP3 4902 -3.489 -7.183 -1.232 1.00 0.00 WT1 O ATOM 15566 H1 TIP3 4902 -3.559 1.853 4.639 1.00 0.00 WT1 H ATOM 15567 H2 TIP3 4902 -0.279 -0.970 33.511 1.00 0.00 WT1 H ATOM 15568 OH2 TIP3 4903 5.142 -1.116 0.968 1.00 0.00 WT1 O ATOM 15569 H1 TIP3 4903 17.010 21.864 -21.653 1.00 0.00 WT1 H ATOM 15570 H2 TIP3 4903 -1.075 -7.149 9.144 1.00 0.00 WT1 H ATOM 15571 OH2 TIP3 4904 1.411 -6.661 0.360 1.00 0.00 WT1 O ATOM 15572 H1 TIP3 4904 15.013 13.713 0.386 1.00 0.00 WT1 H ATOM 15573 H2 TIP3 4904 -13.644 -22.887 -2.397 1.00 0.00 WT1 H ATOM 15574 OH2 TIP3 4906 -1.595 2.089 -1.198 1.00 0.00 WT1 O ATOM 15575 H1 TIP3 4906 1.728 -21.357 27.775 1.00 0.00 WT1 H ATOM 15576 H2 TIP3 4906 -0.964 -11.006 -3.939 1.00 0.00 WT1 H ATOM 15577 OH2 TIP3 4908 -5.131 -1.729 -0.686 1.00 0.00 WT1 O ATOM 15578 H1 TIP3 4908 2.465 -2.238 -2.117 1.00 0.00 WT1 H ATOM 15579 H2 TIP3 4908 -2.455 -10.139 -3.072 1.00 0.00 WT1 H ATOM 15580 OH2 TIP3 4909 -6.468 -0.377 -5.522 1.00 0.00 WT1 O ATOM 15581 H1 TIP3 4909 -6.529 -14.086 11.586 1.00 0.00 WT1 H ATOM 15582 H2 TIP3 4909 -4.703 0.497 -8.150 1.00 0.00 WT1 H ATOM 15583 OH2 TIP3 4910 2.227 -6.366 6.138 1.00 0.00 WT1 O ATOM 15584 H1 TIP3 4910 -1.512 -6.823 19.163 1.00 0.00 WT1 H ATOM 15585 H2 TIP3 4910 -4.792 -4.448 -14.904 1.00 0.00 WT1 H ATOM 15586 OH2 TIP3 4911 -1.336 -4.408 6.249 1.00 0.00 WT1 O ATOM 15587 H1 TIP3 4911 5.979 9.957 -0.995 1.00 0.00 WT1 H ATOM 15588 H2 TIP3 4911 2.360 1.812 -4.709 1.00 0.00 WT1 H ATOM 15589 OH2 TIP3 4912 2.542 -5.367 0.641 1.00 0.00 WT1 O ATOM 15590 H1 TIP3 4912 -0.060 0.354 1.057 1.00 0.00 WT1 H ATOM 15591 H2 TIP3 4912 17.892 -14.712 16.161 1.00 0.00 WT1 H ATOM 15592 OH2 TIP3 4913 -2.576 -3.331 2.808 1.00 0.00 WT1 O ATOM 15593 H1 TIP3 4913 1.708 -8.867 -6.180 1.00 0.00 WT1 H ATOM 15594 H2 TIP3 4913 -8.852 -3.814 5.736 1.00 0.00 WT1 H ATOM 15595 OH2 TIP3 4914 2.525 1.913 5.026 1.00 0.00 WT1 O ATOM 15596 H1 TIP3 4914 8.486 -2.787 5.512 1.00 0.00 WT1 H ATOM 15597 H2 TIP3 4914 9.641 -22.541 4.495 1.00 0.00 WT1 H ATOM 15598 OH2 TIP3 4915 7.256 4.024 -4.138 1.00 0.00 WT1 O ATOM 15599 H1 TIP3 4915 0.995 4.270 -2.122 1.00 0.00 WT1 H ATOM 15600 H2 TIP3 4915 14.659 -4.469 7.008 1.00 0.00 WT1 H ATOM 15601 OH2 TIP3 4916 3.059 1.928 4.765 1.00 0.00 WT1 O ATOM 15602 H1 TIP3 4916 4.356 4.785 -2.062 1.00 0.00 WT1 H ATOM 15603 H2 TIP3 4916 -0.331 2.546 -0.279 1.00 0.00 WT1 H ATOM 15604 OH2 TIP3 4917 1.339 10.329 0.723 1.00 0.00 WT1 O ATOM 15605 H1 TIP3 4917 4.905 5.927 -15.477 1.00 0.00 WT1 H ATOM 15606 H2 TIP3 4917 -11.124 22.656 -1.525 1.00 0.00 WT1 H ATOM 15607 OH2 TIP3 4918 4.658 5.354 9.001 1.00 0.00 WT1 O ATOM 15608 H1 TIP3 4918 1.210 6.772 6.568 1.00 0.00 WT1 H ATOM 15609 H2 TIP3 4918 -16.315 9.540 -3.899 1.00 0.00 WT1 H ATOM 15610 OH2 TIP3 4919 1.211 -0.399 2.501 1.00 0.00 WT1 O ATOM 15611 H1 TIP3 4919 0.810 -0.978 -19.026 1.00 0.00 WT1 H ATOM 15612 H2 TIP3 4919 9.876 9.636 21.509 1.00 0.00 WT1 H ATOM 15613 OH2 TIP3 4920 0.979 -1.230 1.973 1.00 0.00 WT1 O ATOM 15614 H1 TIP3 4920 5.906 -5.672 -5.725 1.00 0.00 WT1 H ATOM 15615 H2 TIP3 4920 -5.905 6.276 13.730 1.00 0.00 WT1 H ATOM 15616 OH2 TIP3 4922 0.424 -1.670 1.827 1.00 0.00 WT1 O ATOM 15617 H1 TIP3 4922 -0.677 3.274 -0.928 1.00 0.00 WT1 H ATOM 15618 H2 TIP3 4922 1.770 -8.908 5.973 1.00 0.00 WT1 H ATOM 15619 OH2 TIP3 4924 1.434 1.567 -0.292 1.00 0.00 WT1 O ATOM 15620 H1 TIP3 4924 11.550 9.319 0.484 1.00 0.00 WT1 H ATOM 15621 H2 TIP3 4924 -9.283 -14.552 23.928 1.00 0.00 WT1 H ATOM 15622 OH2 TIP3 4925 6.010 -1.025 -6.339 1.00 0.00 WT1 O ATOM 15623 H1 TIP3 4925 2.437 -16.027 -0.735 1.00 0.00 WT1 H ATOM 15624 H2 TIP3 4925 16.223 -5.101 5.507 1.00 0.00 WT1 H ATOM 15625 OH2 TIP3 4926 -3.251 1.567 2.454 1.00 0.00 WT1 O ATOM 15626 H1 TIP3 4926 4.985 13.473 -4.017 1.00 0.00 WT1 H ATOM 15627 H2 TIP3 4926 9.530 14.545 -12.603 1.00 0.00 WT1 H ATOM 15628 OH2 TIP3 4927 -0.847 -2.425 -3.799 1.00 0.00 WT1 O ATOM 15629 H1 TIP3 4927 6.309 3.114 -5.565 1.00 0.00 WT1 H ATOM 15630 H2 TIP3 4927 15.408 9.939 -3.696 1.00 0.00 WT1 H ATOM 15631 OH2 TIP3 4928 5.287 1.426 3.193 1.00 0.00 WT1 O ATOM 15632 H1 TIP3 4928 3.267 -20.789 -32.289 1.00 0.00 WT1 H ATOM 15633 H2 TIP3 4928 8.075 11.411 6.040 1.00 0.00 WT1 H ATOM 15634 OH2 TIP3 4929 0.338 5.945 4.815 1.00 0.00 WT1 O ATOM 15635 H1 TIP3 4929 -13.473 12.431 16.663 1.00 0.00 WT1 H ATOM 15636 H2 TIP3 4929 10.244 19.803 4.100 1.00 0.00 WT1 H ATOM 15637 OH2 TIP3 4930 -6.778 1.623 -0.982 1.00 0.00 WT1 O ATOM 15638 H1 TIP3 4930 4.512 -20.935 -6.979 1.00 0.00 WT1 H ATOM 15639 H2 TIP3 4930 -21.591 23.710 7.033 1.00 0.00 WT1 H ATOM 15640 OH2 TIP3 4931 0.458 1.662 -5.591 1.00 0.00 WT1 O ATOM 15641 H1 TIP3 4931 -8.464 1.793 -4.088 1.00 0.00 WT1 H ATOM 15642 H2 TIP3 4931 14.290 -10.074 -5.130 1.00 0.00 WT1 H ATOM 15643 OH2 TIP3 4932 -1.430 1.230 -4.590 1.00 0.00 WT1 O ATOM 15644 H1 TIP3 4932 -5.729 7.390 8.676 1.00 0.00 WT1 H ATOM 15645 H2 TIP3 4932 -4.070 10.700 21.695 1.00 0.00 WT1 H ATOM 15646 OH2 TIP3 4934 -1.546 1.863 6.232 1.00 0.00 WT1 O ATOM 15647 H1 TIP3 4934 -5.738 8.016 -21.059 1.00 0.00 WT1 H ATOM 15648 H2 TIP3 4934 11.077 -0.469 21.170 1.00 0.00 WT1 H ATOM 15649 OH2 TIP3 4935 2.079 -3.171 -2.271 1.00 0.00 WT1 O ATOM 15650 H1 TIP3 4935 3.953 -6.954 -3.012 1.00 0.00 WT1 H ATOM 15651 H2 TIP3 4935 -10.626 15.567 2.086 1.00 0.00 WT1 H ATOM 15652 OH2 TIP3 4936 -7.340 -3.173 -3.245 1.00 0.00 WT1 O ATOM 15653 H1 TIP3 4936 -14.127 -0.446 -1.579 1.00 0.00 WT1 H ATOM 15654 H2 TIP3 4936 -7.647 -9.572 3.454 1.00 0.00 WT1 H ATOM 15655 OH2 TIP3 4937 1.296 -2.959 -2.956 1.00 0.00 WT1 O ATOM 15656 H1 TIP3 4937 -0.729 -1.009 -20.017 1.00 0.00 WT1 H ATOM 15657 H2 TIP3 4937 -0.546 18.304 0.339 1.00 0.00 WT1 H ATOM 15658 OH2 TIP3 4938 -3.440 -3.411 -2.144 1.00 0.00 WT1 O ATOM 15659 H1 TIP3 4938 -14.270 22.281 -36.519 1.00 0.00 WT1 H ATOM 15660 H2 TIP3 4938 -1.813 -10.504 25.107 1.00 0.00 WT1 H ATOM 15661 OH2 TIP3 4939 4.303 -4.296 3.289 1.00 0.00 WT1 O ATOM 15662 H1 TIP3 4939 -8.992 16.722 18.313 1.00 0.00 WT1 H ATOM 15663 H2 TIP3 4939 -1.534 -21.955 3.466 1.00 0.00 WT1 H ATOM 15664 OH2 TIP3 4940 -1.506 6.597 0.030 1.00 0.00 WT1 O ATOM 15665 H1 TIP3 4940 -4.390 2.395 7.909 1.00 0.00 WT1 H ATOM 15666 H2 TIP3 4940 -28.114 0.473 22.181 1.00 0.00 WT1 H ATOM 15667 OH2 TIP3 4941 -4.879 -4.572 1.921 1.00 0.00 WT1 O ATOM 15668 H1 TIP3 4941 5.752 -5.580 -2.036 1.00 0.00 WT1 H ATOM 15669 H2 TIP3 4941 -18.676 -23.938 -5.946 1.00 0.00 WT1 H ATOM 15670 OH2 TIP3 4942 0.469 5.271 -1.792 1.00 0.00 WT1 O ATOM 15671 H1 TIP3 4942 -12.945 -27.833 -16.297 1.00 0.00 WT1 H ATOM 15672 H2 TIP3 4942 6.585 -6.715 -14.499 1.00 0.00 WT1 H ATOM 15673 OH2 TIP3 4943 0.129 3.675 1.662 1.00 0.00 WT1 O ATOM 15674 H1 TIP3 4943 -0.234 -10.480 8.519 1.00 0.00 WT1 H ATOM 15675 H2 TIP3 4943 -2.781 5.207 2.713 1.00 0.00 WT1 H ATOM 15676 OH2 TIP3 4947 -0.859 -1.833 2.389 1.00 0.00 WT1 O ATOM 15677 H1 TIP3 4947 0.694 -4.908 -7.423 1.00 0.00 WT1 H ATOM 15678 H2 TIP3 4947 8.305 6.877 -12.681 1.00 0.00 WT1 H ATOM 15679 OH2 TIP3 4948 0.129 0.901 -4.039 1.00 0.00 WT1 O ATOM 15680 H1 TIP3 4948 -1.618 -5.465 -10.440 1.00 0.00 WT1 H ATOM 15681 H2 TIP3 4948 13.483 25.787 25.616 1.00 0.00 WT1 H ATOM 15682 OH2 TIP3 4949 5.711 -2.110 1.364 1.00 0.00 WT1 O ATOM 15683 H1 TIP3 4949 5.597 10.969 0.273 1.00 0.00 WT1 H ATOM 15684 H2 TIP3 4949 -3.455 -15.036 -0.229 1.00 0.00 WT1 H ATOM 15685 OH2 TIP3 4950 0.986 -2.547 3.219 1.00 0.00 WT1 O ATOM 15686 H1 TIP3 4950 -7.965 19.522 15.141 1.00 0.00 WT1 H ATOM 15687 H2 TIP3 4950 12.797 8.256 4.426 1.00 0.00 WT1 H ATOM 15688 OH2 TIP3 4951 -1.498 0.769 4.056 1.00 0.00 WT1 O ATOM 15689 H1 TIP3 4951 -5.975 8.579 -9.142 1.00 0.00 WT1 H ATOM 15690 H2 TIP3 4951 2.965 -38.811 19.894 1.00 0.00 WT1 H ATOM 15691 OH2 TIP3 4952 -7.533 2.070 1.826 1.00 0.00 WT1 O ATOM 15692 H1 TIP3 4952 7.195 2.347 6.319 1.00 0.00 WT1 H ATOM 15693 H2 TIP3 4952 11.535 9.273 3.181 1.00 0.00 WT1 H ATOM 15694 OH2 TIP3 4953 5.701 -4.246 -1.335 1.00 0.00 WT1 O ATOM 15695 H1 TIP3 4953 -9.166 -6.720 11.552 1.00 0.00 WT1 H ATOM 15696 H2 TIP3 4953 17.163 -2.096 -14.749 1.00 0.00 WT1 H ATOM 15697 OH2 TIP3 4954 -3.379 -1.197 -1.657 1.00 0.00 WT1 O ATOM 15698 H1 TIP3 4954 13.290 -13.907 31.969 1.00 0.00 WT1 H ATOM 15699 H2 TIP3 4954 5.004 -8.926 6.713 1.00 0.00 WT1 H ATOM 15700 OH2 TIP3 4955 1.633 -0.370 9.741 1.00 0.00 WT1 O ATOM 15701 H1 TIP3 4955 1.516 0.261 16.841 1.00 0.00 WT1 H ATOM 15702 H2 TIP3 4955 4.854 -7.029 8.210 1.00 0.00 WT1 H ATOM 15703 OH2 TIP3 4956 4.235 0.707 0.125 1.00 0.00 WT1 O ATOM 15704 H1 TIP3 4956 -14.366 -11.709 8.657 1.00 0.00 WT1 H ATOM 15705 H2 TIP3 4956 -0.462 -3.691 -19.374 1.00 0.00 WT1 H ATOM 15706 OH2 TIP3 4957 3.751 -0.380 -4.174 1.00 0.00 WT1 O ATOM 15707 H1 TIP3 4957 2.054 -3.511 -3.627 1.00 0.00 WT1 H ATOM 15708 H2 TIP3 4957 -9.338 -6.115 -6.429 1.00 0.00 WT1 H ATOM 15709 OH2 TIP3 4958 -0.361 0.855 0.018 1.00 0.00 WT1 O ATOM 15710 H1 TIP3 4958 3.230 -4.782 0.298 1.00 0.00 WT1 H ATOM 15711 H2 TIP3 4958 -1.882 0.701 -0.286 1.00 0.00 WT1 H ATOM 15712 OH2 TIP3 4959 6.442 1.315 -0.933 1.00 0.00 WT1 O ATOM 15713 H1 TIP3 4959 5.379 7.560 -1.251 1.00 0.00 WT1 H ATOM 15714 H2 TIP3 4959 2.367 1.323 -1.583 1.00 0.00 WT1 H ATOM 15715 OH2 TIP3 4960 -4.448 -0.919 -0.204 1.00 0.00 WT1 O ATOM 15716 H1 TIP3 4960 -6.782 -2.750 -8.229 1.00 0.00 WT1 H ATOM 15717 H2 TIP3 4960 -0.657 3.658 10.575 1.00 0.00 WT1 H ATOM 15718 OH2 TIP3 4962 -8.557 -3.063 -0.636 1.00 0.00 WT1 O ATOM 15719 H1 TIP3 4962 -10.449 8.746 2.455 1.00 0.00 WT1 H ATOM 15720 H2 TIP3 4962 -24.248 15.422 -6.640 1.00 0.00 WT1 H ATOM 15721 OH2 TIP3 4963 6.799 2.662 -0.981 1.00 0.00 WT1 O ATOM 15722 H1 TIP3 4963 3.489 -0.627 -2.871 1.00 0.00 WT1 H ATOM 15723 H2 TIP3 4963 19.430 -13.237 -9.087 1.00 0.00 WT1 H ATOM 15724 OH2 TIP3 4964 5.464 -0.152 -7.188 1.00 0.00 WT1 O ATOM 15725 H1 TIP3 4964 3.301 -2.701 -3.992 1.00 0.00 WT1 H ATOM 15726 H2 TIP3 4964 9.309 -2.358 -8.164 1.00 0.00 WT1 H ATOM 15727 OH2 TIP3 4965 0.989 1.249 4.096 1.00 0.00 WT1 O ATOM 15728 H1 TIP3 4965 -12.193 -14.363 -14.030 1.00 0.00 WT1 H ATOM 15729 H2 TIP3 4965 -13.374 10.371 -5.859 1.00 0.00 WT1 H ATOM 15730 OH2 TIP3 4966 -4.430 -1.981 -7.111 1.00 0.00 WT1 O ATOM 15731 H1 TIP3 4966 -1.580 -4.149 -11.521 1.00 0.00 WT1 H ATOM 15732 H2 TIP3 4966 -7.039 3.753 -9.348 1.00 0.00 WT1 H ATOM 15733 OH2 TIP3 4967 -2.355 -3.674 0.878 1.00 0.00 WT1 O ATOM 15734 H1 TIP3 4967 4.579 9.234 6.598 1.00 0.00 WT1 H ATOM 15735 H2 TIP3 4967 -13.134 -3.662 -5.539 1.00 0.00 WT1 H ATOM 15736 OH2 TIP3 4968 -4.831 -0.634 -5.424 1.00 0.00 WT1 O ATOM 15737 H1 TIP3 4968 -16.085 6.452 10.510 1.00 0.00 WT1 H ATOM 15738 H2 TIP3 4968 -15.503 12.665 -24.184 1.00 0.00 WT1 H ATOM 15739 OH2 TIP3 4970 0.076 -2.603 7.220 1.00 0.00 WT1 O ATOM 15740 H1 TIP3 4970 -14.551 1.566 28.016 1.00 0.00 WT1 H ATOM 15741 H2 TIP3 4970 -23.646 -21.769 -7.746 1.00 0.00 WT1 H ATOM 15742 OH2 TIP3 4971 0.260 -1.394 1.455 1.00 0.00 WT1 O ATOM 15743 H1 TIP3 4971 -8.638 -1.542 20.707 1.00 0.00 WT1 H ATOM 15744 H2 TIP3 4971 1.078 1.437 3.991 1.00 0.00 WT1 H ATOM 15745 OH2 TIP3 4973 0.747 4.246 2.857 1.00 0.00 WT1 O ATOM 15746 H1 TIP3 4973 5.262 31.166 2.837 1.00 0.00 WT1 H ATOM 15747 H2 TIP3 4973 1.138 7.157 4.490 1.00 0.00 WT1 H ATOM 15748 OH2 TIP3 4974 -0.080 -0.909 2.925 1.00 0.00 WT1 O ATOM 15749 H1 TIP3 4974 7.050 6.552 15.498 1.00 0.00 WT1 H ATOM 15750 H2 TIP3 4974 5.122 -7.275 -4.821 1.00 0.00 WT1 H ATOM 15751 OH2 TIP3 4975 -3.290 3.878 4.287 1.00 0.00 WT1 O ATOM 15752 H1 TIP3 4975 -5.905 17.198 -0.268 1.00 0.00 WT1 H ATOM 15753 H2 TIP3 4975 -10.906 -1.451 16.692 1.00 0.00 WT1 H ATOM 15754 OH2 TIP3 4976 -0.515 2.909 0.087 1.00 0.00 WT1 O ATOM 15755 H1 TIP3 4976 4.191 -19.490 -8.824 1.00 0.00 WT1 H ATOM 15756 H2 TIP3 4976 -9.215 3.936 9.078 1.00 0.00 WT1 H ATOM 15757 OH2 TIP3 4977 -3.220 -1.704 -5.060 1.00 0.00 WT1 O ATOM 15758 H1 TIP3 4977 -2.504 11.760 0.392 1.00 0.00 WT1 H ATOM 15759 H2 TIP3 4977 3.988 -9.025 2.746 1.00 0.00 WT1 H ATOM 15760 OH2 TIP3 4978 -8.671 4.524 7.759 1.00 0.00 WT1 O ATOM 15761 H1 TIP3 4978 0.114 -6.572 -3.803 1.00 0.00 WT1 H ATOM 15762 H2 TIP3 4978 12.261 11.312 -7.010 1.00 0.00 WT1 H ATOM 15763 OH2 TIP3 4979 3.932 1.399 7.246 1.00 0.00 WT1 O ATOM 15764 H1 TIP3 4979 7.968 -3.533 9.014 1.00 0.00 WT1 H ATOM 15765 H2 TIP3 4979 5.373 10.056 1.512 1.00 0.00 WT1 H ATOM 15766 OH2 TIP3 4980 1.505 1.724 8.533 1.00 0.00 WT1 O ATOM 15767 H1 TIP3 4980 -13.048 -9.307 12.131 1.00 0.00 WT1 H ATOM 15768 H2 TIP3 4980 1.130 5.238 -10.814 1.00 0.00 WT1 H ATOM 15769 OH2 TIP3 4981 1.000 -9.744 -4.599 1.00 0.00 WT1 O ATOM 15770 H1 TIP3 4981 -4.041 -12.877 -1.499 1.00 0.00 WT1 H ATOM 15771 H2 TIP3 4981 1.197 -9.100 -5.019 1.00 0.00 WT1 H ATOM 15772 OH2 TIP3 4982 4.209 -0.189 -1.449 1.00 0.00 WT1 O ATOM 15773 H1 TIP3 4982 8.242 -11.668 -15.621 1.00 0.00 WT1 H ATOM 15774 H2 TIP3 4982 -14.490 -0.723 -6.063 1.00 0.00 WT1 H ATOM 15775 OH2 TIP3 4983 3.798 2.025 -6.720 1.00 0.00 WT1 O ATOM 15776 H1 TIP3 4983 -4.768 5.117 -15.520 1.00 0.00 WT1 H ATOM 15777 H2 TIP3 4983 9.463 0.775 5.048 1.00 0.00 WT1 H ATOM 15778 OH2 TIP3 4984 0.414 -6.154 6.045 1.00 0.00 WT1 O ATOM 15779 H1 TIP3 4984 0.802 -5.460 23.053 1.00 0.00 WT1 H ATOM 15780 H2 TIP3 4984 2.965 -5.493 20.076 1.00 0.00 WT1 H ATOM 15781 OH2 TIP3 4985 -3.179 5.352 2.220 1.00 0.00 WT1 O ATOM 15782 H1 TIP3 4985 -2.899 7.673 -6.726 1.00 0.00 WT1 H ATOM 15783 H2 TIP3 4985 -1.277 -2.953 -11.798 1.00 0.00 WT1 H ATOM 15784 OH2 TIP3 4986 2.419 -1.095 0.570 1.00 0.00 WT1 O ATOM 15785 H1 TIP3 4986 8.278 2.775 8.341 1.00 0.00 WT1 H ATOM 15786 H2 TIP3 4986 -14.444 -5.641 10.013 1.00 0.00 WT1 H ATOM 15787 OH2 TIP3 4988 1.328 7.201 3.341 1.00 0.00 WT1 O ATOM 15788 H1 TIP3 4988 -22.036 2.392 7.482 1.00 0.00 WT1 H ATOM 15789 H2 TIP3 4988 12.560 5.268 2.732 1.00 0.00 WT1 H ATOM 15790 OH2 TIP3 4991 6.865 -1.605 -1.591 1.00 0.00 WT1 O ATOM 15791 H1 TIP3 4991 0.658 0.541 -28.245 1.00 0.00 WT1 H ATOM 15792 H2 TIP3 4991 -21.504 -15.007 -31.891 1.00 0.00 WT1 H ATOM 15793 OH2 TIP3 4992 -0.497 2.591 8.394 1.00 0.00 WT1 O ATOM 15794 H1 TIP3 4992 -12.351 19.999 8.434 1.00 0.00 WT1 H ATOM 15795 H2 TIP3 4992 -7.221 -16.358 13.255 1.00 0.00 WT1 H ATOM 15796 OH2 TIP3 4993 1.618 -1.484 1.600 1.00 0.00 WT1 O ATOM 15797 H1 TIP3 4993 -16.645 6.961 12.747 1.00 0.00 WT1 H ATOM 15798 H2 TIP3 4993 0.608 3.139 3.249 1.00 0.00 WT1 H ATOM 15799 OH2 TIP3 4994 1.277 0.951 -2.392 1.00 0.00 WT1 O ATOM 15800 H1 TIP3 4994 15.222 35.707 12.901 1.00 0.00 WT1 H ATOM 15801 H2 TIP3 4994 12.994 16.094 8.215 1.00 0.00 WT1 H ATOM 15802 OH2 TIP3 4995 -0.981 1.126 1.432 1.00 0.00 WT1 O ATOM 15803 H1 TIP3 4995 5.479 -0.371 -0.397 1.00 0.00 WT1 H ATOM 15804 H2 TIP3 4995 -5.349 10.441 7.516 1.00 0.00 WT1 H ATOM 15805 OH2 TIP3 4996 3.924 0.327 -1.744 1.00 0.00 WT1 O ATOM 15806 H1 TIP3 4996 4.610 -0.176 -1.339 1.00 0.00 WT1 H ATOM 15807 H2 TIP3 4996 7.555 6.870 -4.783 1.00 0.00 WT1 H ATOM 15808 OH2 TIP3 4997 1.124 -1.266 -0.367 1.00 0.00 WT1 O ATOM 15809 H1 TIP3 4997 -4.682 -13.584 9.124 1.00 0.00 WT1 H ATOM 15810 H2 TIP3 4997 13.336 5.090 4.785 1.00 0.00 WT1 H ATOM 15811 OH2 TIP3 4998 -1.923 4.258 0.250 1.00 0.00 WT1 O ATOM 15812 H1 TIP3 4998 0.733 0.795 8.945 1.00 0.00 WT1 H ATOM 15813 H2 TIP3 4998 -6.545 15.620 1.258 1.00 0.00 WT1 H ATOM 15814 OH2 TIP3 4999 -2.230 2.109 1.735 1.00 0.00 WT1 O ATOM 15815 H1 TIP3 4999 -0.526 -12.342 4.693 1.00 0.00 WT1 H ATOM 15816 H2 TIP3 4999 -1.201 7.756 7.131 1.00 0.00 WT1 H ATOM 15817 OH2 TIP3 5000 -4.733 5.067 5.412 1.00 0.00 WT1 O ATOM 15818 H1 TIP3 5000 1.174 -4.907 15.903 1.00 0.00 WT1 H ATOM 15819 H2 TIP3 5000 -12.092 6.772 14.113 1.00 0.00 WT1 H ATOM 15820 OH2 TIP3 5001 -5.947 -1.931 0.366 1.00 0.00 WT1 O ATOM 15821 H1 TIP3 5001 3.893 18.117 -12.429 1.00 0.00 WT1 H ATOM 15822 H2 TIP3 5001 -26.464 -2.554 7.739 1.00 0.00 WT1 H ATOM 15823 OH2 TIP3 5002 1.648 2.273 -1.265 1.00 0.00 WT1 O ATOM 15824 H1 TIP3 5002 6.113 1.537 -15.990 1.00 0.00 WT1 H ATOM 15825 H2 TIP3 5002 -2.397 -11.784 -11.134 1.00 0.00 WT1 H ATOM 15826 OH2 TIP3 5003 3.734 2.158 -3.485 1.00 0.00 WT1 O ATOM 15827 H1 TIP3 5003 1.756 -1.195 2.460 1.00 0.00 WT1 H ATOM 15828 H2 TIP3 5003 -6.257 1.701 -2.205 1.00 0.00 WT1 H ATOM 15829 OH2 TIP3 5004 3.051 -2.580 -6.257 1.00 0.00 WT1 O ATOM 15830 H1 TIP3 5004 -1.375 -2.479 -9.949 1.00 0.00 WT1 H ATOM 15831 H2 TIP3 5004 6.721 -6.493 2.506 1.00 0.00 WT1 H ATOM 15832 OH2 TIP3 5005 1.822 -5.116 -1.081 1.00 0.00 WT1 O ATOM 15833 H1 TIP3 5005 5.360 -2.941 4.019 1.00 0.00 WT1 H ATOM 15834 H2 TIP3 5005 2.358 -8.464 -4.653 1.00 0.00 WT1 H ATOM 15835 OH2 TIP3 5007 -0.917 -0.619 -1.610 1.00 0.00 WT1 O ATOM 15836 H1 TIP3 5007 -3.036 0.194 -14.391 1.00 0.00 WT1 H ATOM 15837 H2 TIP3 5007 9.224 3.230 -2.862 1.00 0.00 WT1 H ATOM 15838 OH2 TIP3 5008 -0.572 2.232 1.769 1.00 0.00 WT1 O ATOM 15839 H1 TIP3 5008 1.776 -0.645 7.487 1.00 0.00 WT1 H ATOM 15840 H2 TIP3 5008 6.088 5.241 8.759 1.00 0.00 WT1 H ATOM 15841 OH2 TIP3 5009 -1.490 -1.290 1.450 1.00 0.00 WT1 O ATOM 15842 H1 TIP3 5009 -5.351 -11.821 -5.810 1.00 0.00 WT1 H ATOM 15843 H2 TIP3 5009 -12.943 -3.231 11.409 1.00 0.00 WT1 H ATOM 15844 OH2 TIP3 5010 -3.585 -1.054 1.912 1.00 0.00 WT1 O ATOM 15845 H1 TIP3 5010 7.690 9.489 3.630 1.00 0.00 WT1 H ATOM 15846 H2 TIP3 5010 9.673 -3.123 -3.022 1.00 0.00 WT1 H ATOM 15847 OH2 TIP3 5011 -0.453 5.547 -1.266 1.00 0.00 WT1 O ATOM 15848 H1 TIP3 5011 5.063 1.005 -19.680 1.00 0.00 WT1 H ATOM 15849 H2 TIP3 5011 -5.175 -4.768 1.070 1.00 0.00 WT1 H ATOM 15850 OH2 TIP3 5013 -1.673 -0.454 5.452 1.00 0.00 WT1 O ATOM 15851 H1 TIP3 5013 13.229 -25.775 20.893 1.00 0.00 WT1 H ATOM 15852 H2 TIP3 5013 -7.433 -10.804 -24.189 1.00 0.00 WT1 H ATOM 15853 OH2 TIP3 5014 4.292 0.612 -4.221 1.00 0.00 WT1 O ATOM 15854 H1 TIP3 5014 2.176 -5.757 -3.261 1.00 0.00 WT1 H ATOM 15855 H2 TIP3 5014 16.086 -1.164 2.347 1.00 0.00 WT1 H ATOM 15856 OH2 TIP3 5015 7.038 2.363 4.779 1.00 0.00 WT1 O ATOM 15857 H1 TIP3 5015 -29.130 1.980 -4.748 1.00 0.00 WT1 H ATOM 15858 H2 TIP3 5015 -7.109 -17.963 11.238 1.00 0.00 WT1 H ATOM 15859 OH2 TIP3 5016 -7.947 1.436 -3.757 1.00 0.00 WT1 O ATOM 15860 H1 TIP3 5016 -0.576 12.846 4.559 1.00 0.00 WT1 H ATOM 15861 H2 TIP3 5016 -16.874 -3.701 -8.357 1.00 0.00 WT1 H ATOM 15862 OH2 TIP3 5017 2.216 -2.544 -1.761 1.00 0.00 WT1 O ATOM 15863 H1 TIP3 5017 -9.211 0.279 -4.221 1.00 0.00 WT1 H ATOM 15864 H2 TIP3 5017 5.657 -7.580 10.016 1.00 0.00 WT1 H ATOM 15865 OH2 TIP3 5018 2.773 1.587 -1.390 1.00 0.00 WT1 O ATOM 15866 H1 TIP3 5018 4.199 18.672 6.471 1.00 0.00 WT1 H ATOM 15867 H2 TIP3 5018 -17.183 1.902 4.442 1.00 0.00 WT1 H ATOM 15868 OH2 TIP3 5019 -3.726 -0.355 -0.225 1.00 0.00 WT1 O ATOM 15869 H1 TIP3 5019 20.429 4.566 -0.935 1.00 0.00 WT1 H ATOM 15870 H2 TIP3 5019 -28.100 0.710 20.624 1.00 0.00 WT1 H ATOM 15871 OH2 TIP3 5020 -0.090 -2.031 -4.688 1.00 0.00 WT1 O ATOM 15872 H1 TIP3 5020 -0.261 -6.550 -11.387 1.00 0.00 WT1 H ATOM 15873 H2 TIP3 5020 -7.868 4.242 7.922 1.00 0.00 WT1 H ATOM 15874 OH2 TIP3 5021 -1.229 5.222 -1.706 1.00 0.00 WT1 O ATOM 15875 H1 TIP3 5021 -7.848 3.924 1.646 1.00 0.00 WT1 H ATOM 15876 H2 TIP3 5021 -12.024 19.686 0.889 1.00 0.00 WT1 H ATOM 15877 OH2 TIP3 5022 -9.632 -0.918 -5.107 1.00 0.00 WT1 O ATOM 15878 H1 TIP3 5022 -4.500 -1.569 -4.326 1.00 0.00 WT1 H ATOM 15879 H2 TIP3 5022 12.409 2.400 -19.967 1.00 0.00 WT1 H ATOM 15880 OH2 TIP3 5023 1.313 -2.740 0.097 1.00 0.00 WT1 O ATOM 15881 H1 TIP3 5023 3.934 6.956 -6.339 1.00 0.00 WT1 H ATOM 15882 H2 TIP3 5023 5.575 -11.433 -2.567 1.00 0.00 WT1 H ATOM 15883 OH2 TIP3 5024 -0.062 -1.904 2.969 1.00 0.00 WT1 O ATOM 15884 H1 TIP3 5024 -6.989 -4.126 4.723 1.00 0.00 WT1 H ATOM 15885 H2 TIP3 5024 -6.261 -12.102 5.794 1.00 0.00 WT1 H ATOM 15886 OH2 TIP3 5025 -0.492 -7.189 -4.100 1.00 0.00 WT1 O ATOM 15887 H1 TIP3 5025 -2.708 -10.290 -5.133 1.00 0.00 WT1 H ATOM 15888 H2 TIP3 5025 0.802 -4.017 -0.455 1.00 0.00 WT1 H ATOM 15889 OH2 TIP3 5031 -1.064 -5.099 -2.742 1.00 0.00 WT1 O ATOM 15890 H1 TIP3 5031 -15.826 8.896 -13.884 1.00 0.00 WT1 H ATOM 15891 H2 TIP3 5031 -5.691 8.646 7.436 1.00 0.00 WT1 H ATOM 15892 OH2 TIP3 5033 -2.677 8.833 -1.585 1.00 0.00 WT1 O ATOM 15893 H1 TIP3 5033 1.627 3.577 3.306 1.00 0.00 WT1 H ATOM 15894 H2 TIP3 5033 3.612 -3.326 -4.179 1.00 0.00 WT1 H ATOM 15895 OH2 TIP3 5035 5.382 -1.379 -0.643 1.00 0.00 WT1 O ATOM 15896 H1 TIP3 5035 2.576 1.184 -8.432 1.00 0.00 WT1 H ATOM 15897 H2 TIP3 5035 6.115 2.743 -3.498 1.00 0.00 WT1 H ATOM 15898 OH2 TIP3 5038 8.344 -4.219 2.179 1.00 0.00 WT1 O ATOM 15899 H1 TIP3 5038 1.060 -11.850 18.459 1.00 0.00 WT1 H ATOM 15900 H2 TIP3 5038 4.137 -11.618 -6.164 1.00 0.00 WT1 H ATOM 15901 OH2 TIP3 5039 3.839 2.727 -3.534 1.00 0.00 WT1 O ATOM 15902 H1 TIP3 5039 3.150 -2.143 26.758 1.00 0.00 WT1 H ATOM 15903 H2 TIP3 5039 -1.214 9.959 -10.388 1.00 0.00 WT1 H ATOM 15904 OH2 TIP3 5040 1.436 -0.106 1.278 1.00 0.00 WT1 O ATOM 15905 H1 TIP3 5040 -31.802 3.464 -5.978 1.00 0.00 WT1 H ATOM 15906 H2 TIP3 5040 1.596 6.607 -3.828 1.00 0.00 WT1 H ATOM 15907 OH2 TIP3 5041 7.717 0.913 1.658 1.00 0.00 WT1 O ATOM 15908 H1 TIP3 5041 12.622 10.966 -5.872 1.00 0.00 WT1 H ATOM 15909 H2 TIP3 5041 5.438 -8.523 2.848 1.00 0.00 WT1 H ATOM 15910 OH2 TIP3 5043 -2.414 -4.129 -1.017 1.00 0.00 WT1 O ATOM 15911 H1 TIP3 5043 -16.194 -18.991 5.864 1.00 0.00 WT1 H ATOM 15912 H2 TIP3 5043 -3.616 9.941 -3.284 1.00 0.00 WT1 H ATOM 15913 OH2 TIP3 5044 5.464 -1.804 -3.508 1.00 0.00 WT1 O ATOM 15914 H1 TIP3 5044 4.652 7.342 16.651 1.00 0.00 WT1 H ATOM 15915 H2 TIP3 5044 -13.171 13.176 -0.646 1.00 0.00 WT1 H ATOM 15916 OH2 TIP3 5045 -1.215 1.740 -7.876 1.00 0.00 WT1 O ATOM 15917 H1 TIP3 5045 16.477 4.179 2.776 1.00 0.00 WT1 H ATOM 15918 H2 TIP3 5045 -3.101 -7.883 -1.220 1.00 0.00 WT1 H ATOM 15919 OH2 TIP3 5046 0.207 0.927 -2.769 1.00 0.00 WT1 O ATOM 15920 H1 TIP3 5046 12.060 15.724 10.739 1.00 0.00 WT1 H ATOM 15921 H2 TIP3 5046 -1.223 2.859 8.705 1.00 0.00 WT1 H ATOM 15922 OH2 TIP3 5047 -4.497 -7.478 -1.183 1.00 0.00 WT1 O ATOM 15923 H1 TIP3 5047 -1.440 17.814 -29.077 1.00 0.00 WT1 H ATOM 15924 H2 TIP3 5047 14.412 4.272 -18.763 1.00 0.00 WT1 H ATOM 15925 OH2 TIP3 5048 -0.275 -6.607 2.650 1.00 0.00 WT1 O ATOM 15926 H1 TIP3 5048 -17.323 1.129 -20.952 1.00 0.00 WT1 H ATOM 15927 H2 TIP3 5048 16.891 14.576 0.063 1.00 0.00 WT1 H ATOM 15928 OH2 TIP3 5049 0.871 -1.690 4.424 1.00 0.00 WT1 O ATOM 15929 H1 TIP3 5049 26.294 -27.452 18.522 1.00 0.00 WT1 H ATOM 15930 H2 TIP3 5049 -3.202 -2.959 -4.919 1.00 0.00 WT1 H ATOM 15931 OH2 TIP3 5050 1.516 5.139 4.028 1.00 0.00 WT1 O ATOM 15932 H1 TIP3 5050 27.403 16.679 23.219 1.00 0.00 WT1 H ATOM 15933 H2 TIP3 5050 -8.713 3.687 -0.744 1.00 0.00 WT1 H ATOM 15934 OH2 TIP3 5051 -0.409 -0.409 2.206 1.00 0.00 WT1 O ATOM 15935 H1 TIP3 5051 -6.488 23.129 -8.665 1.00 0.00 WT1 H ATOM 15936 H2 TIP3 5051 -28.204 -14.873 -4.246 1.00 0.00 WT1 H ATOM 15937 OH2 TIP3 5055 3.249 11.168 -2.998 1.00 0.00 WT1 O ATOM 15938 H1 TIP3 5055 -0.917 9.940 -0.127 1.00 0.00 WT1 H ATOM 15939 H2 TIP3 5055 10.182 0.521 0.672 1.00 0.00 WT1 H ATOM 15940 OH2 TIP3 5056 5.318 1.594 -1.987 1.00 0.00 WT1 O ATOM 15941 H1 TIP3 5056 -16.817 -14.869 5.076 1.00 0.00 WT1 H ATOM 15942 H2 TIP3 5056 -20.876 -2.626 9.661 1.00 0.00 WT1 H ATOM 15943 OH2 TIP3 5057 -4.274 -3.080 -3.296 1.00 0.00 WT1 O ATOM 15944 H1 TIP3 5057 -13.804 7.273 -4.515 1.00 0.00 WT1 H ATOM 15945 H2 TIP3 5057 -19.636 -14.317 -2.988 1.00 0.00 WT1 H ATOM 15946 OH2 TIP3 5058 -0.735 0.191 4.157 1.00 0.00 WT1 O ATOM 15947 H1 TIP3 5058 2.700 -6.903 -7.514 1.00 0.00 WT1 H ATOM 15948 H2 TIP3 5058 -4.386 -10.786 -4.531 1.00 0.00 WT1 H ATOM 15949 OH2 TIP3 5059 5.362 -0.552 -3.411 1.00 0.00 WT1 O ATOM 15950 H1 TIP3 5059 -25.801 -24.113 27.234 1.00 0.00 WT1 H ATOM 15951 H2 TIP3 5059 15.017 2.102 -10.988 1.00 0.00 WT1 H ATOM 15952 OH2 TIP3 5060 3.035 5.492 -8.698 1.00 0.00 WT1 O ATOM 15953 H1 TIP3 5060 -15.283 -7.475 -13.840 1.00 0.00 WT1 H ATOM 15954 H2 TIP3 5060 -6.114 5.590 -2.897 1.00 0.00 WT1 H ATOM 15955 OH2 TIP3 5061 -2.923 0.098 4.178 1.00 0.00 WT1 O ATOM 15956 H1 TIP3 5061 0.879 -2.221 8.694 1.00 0.00 WT1 H ATOM 15957 H2 TIP3 5061 -14.711 -0.117 -17.056 1.00 0.00 WT1 H ATOM 15958 OH2 TIP3 5062 2.193 -3.535 -2.517 1.00 0.00 WT1 O ATOM 15959 H1 TIP3 5062 8.525 27.659 35.071 1.00 0.00 WT1 H ATOM 15960 H2 TIP3 5062 12.353 8.505 -2.351 1.00 0.00 WT1 H ATOM 15961 OH2 TIP3 5063 -2.373 6.561 0.708 1.00 0.00 WT1 O ATOM 15962 H1 TIP3 5063 5.580 9.651 -16.851 1.00 0.00 WT1 H ATOM 15963 H2 TIP3 5063 13.853 3.878 11.814 1.00 0.00 WT1 H ATOM 15964 OH2 TIP3 5064 -0.134 0.431 -0.717 1.00 0.00 WT1 O ATOM 15965 H1 TIP3 5064 17.367 11.867 2.618 1.00 0.00 WT1 H ATOM 15966 H2 TIP3 5064 14.887 4.379 1.067 1.00 0.00 WT1 H ATOM 15967 OH2 TIP3 5065 -5.659 2.999 -2.824 1.00 0.00 WT1 O ATOM 15968 H1 TIP3 5065 19.151 15.069 24.092 1.00 0.00 WT1 H ATOM 15969 H2 TIP3 5065 21.904 9.959 19.528 1.00 0.00 WT1 H ATOM 15970 OH2 TIP3 5066 2.950 2.589 -0.976 1.00 0.00 WT1 O ATOM 15971 H1 TIP3 5066 22.102 -10.778 -4.422 1.00 0.00 WT1 H ATOM 15972 H2 TIP3 5066 -25.682 8.813 -11.853 1.00 0.00 WT1 H ATOM 15973 OH2 TIP3 5067 -4.837 -3.341 -1.289 1.00 0.00 WT1 O ATOM 15974 H1 TIP3 5067 17.159 3.916 15.173 1.00 0.00 WT1 H ATOM 15975 H2 TIP3 5067 6.909 -0.382 -4.405 1.00 0.00 WT1 H ATOM 15976 OH2 TIP3 5068 1.083 -2.792 -0.534 1.00 0.00 WT1 O ATOM 15977 H1 TIP3 5068 -3.246 -3.667 -4.095 1.00 0.00 WT1 H ATOM 15978 H2 TIP3 5068 -4.419 -2.509 -1.636 1.00 0.00 WT1 H ATOM 15979 OH2 TIP3 5069 -6.531 1.971 -2.487 1.00 0.00 WT1 O ATOM 15980 H1 TIP3 5069 -17.582 -9.470 0.352 1.00 0.00 WT1 H ATOM 15981 H2 TIP3 5069 -14.909 -6.024 3.855 1.00 0.00 WT1 H ATOM 15982 OH2 TIP3 5070 -0.338 0.746 -7.594 1.00 0.00 WT1 O ATOM 15983 H1 TIP3 5070 4.143 2.828 -0.820 1.00 0.00 WT1 H ATOM 15984 H2 TIP3 5070 -6.084 -9.102 -0.800 1.00 0.00 WT1 H ATOM 15985 OH2 TIP3 5072 -6.466 -1.313 1.968 1.00 0.00 WT1 O ATOM 15986 H1 TIP3 5072 -4.377 -2.170 1.009 1.00 0.00 WT1 H ATOM 15987 H2 TIP3 5072 -7.837 -10.266 -21.914 1.00 0.00 WT1 H ATOM 15988 OH2 TIP3 5073 -1.767 0.486 -1.243 1.00 0.00 WT1 O ATOM 15989 H1 TIP3 5073 -6.454 4.186 12.609 1.00 0.00 WT1 H ATOM 15990 H2 TIP3 5073 11.417 -9.857 -2.983 1.00 0.00 WT1 H ATOM 15991 OH2 TIP3 5074 1.545 -2.480 -5.955 1.00 0.00 WT1 O ATOM 15992 H1 TIP3 5074 5.341 3.932 -4.058 1.00 0.00 WT1 H ATOM 15993 H2 TIP3 5074 -2.795 -11.961 -4.560 1.00 0.00 WT1 H ATOM 15994 OH2 TIP3 5075 0.638 4.749 -4.906 1.00 0.00 WT1 O ATOM 15995 H1 TIP3 5075 -16.175 -4.635 -20.397 1.00 0.00 WT1 H ATOM 15996 H2 TIP3 5075 24.253 5.210 1.300 1.00 0.00 WT1 H ATOM 15997 OH2 TIP3 5076 6.760 1.233 -1.050 1.00 0.00 WT1 O ATOM 15998 H1 TIP3 5076 6.003 9.436 0.707 1.00 0.00 WT1 H ATOM 15999 H2 TIP3 5076 -16.616 2.816 19.329 1.00 0.00 WT1 H ATOM 16000 OH2 TIP3 5077 3.187 -3.821 4.566 1.00 0.00 WT1 O ATOM 16001 H1 TIP3 5077 -10.186 8.071 4.347 1.00 0.00 WT1 H ATOM 16002 H2 TIP3 5077 -31.894 9.252 9.646 1.00 0.00 WT1 H ATOM 16003 OH2 TIP3 5078 2.087 -6.392 2.507 1.00 0.00 WT1 O ATOM 16004 H1 TIP3 5078 2.156 -12.189 -4.123 1.00 0.00 WT1 H ATOM 16005 H2 TIP3 5078 0.292 -1.205 -6.572 1.00 0.00 WT1 H ATOM 16006 OH2 TIP3 5080 -6.288 -3.445 -0.253 1.00 0.00 WT1 O ATOM 16007 H1 TIP3 5080 -1.880 -6.535 -5.223 1.00 0.00 WT1 H ATOM 16008 H2 TIP3 5080 -6.791 0.725 -5.075 1.00 0.00 WT1 H ATOM 16009 OH2 TIP3 5081 -2.256 -1.231 -0.586 1.00 0.00 WT1 O ATOM 16010 H1 TIP3 5081 -13.322 -0.044 4.248 1.00 0.00 WT1 H ATOM 16011 H2 TIP3 5081 12.461 6.222 0.696 1.00 0.00 WT1 H ATOM 16012 OH2 TIP3 5082 -7.958 -4.260 2.442 1.00 0.00 WT1 O ATOM 16013 H1 TIP3 5082 5.014 1.484 -4.109 1.00 0.00 WT1 H ATOM 16014 H2 TIP3 5082 -15.654 1.848 -2.899 1.00 0.00 WT1 H ATOM 16015 OH2 TIP3 5084 -3.225 -2.717 -6.230 1.00 0.00 WT1 O ATOM 16016 H1 TIP3 5084 -11.547 7.377 -12.562 1.00 0.00 WT1 H ATOM 16017 H2 TIP3 5084 -8.590 -4.283 -4.521 1.00 0.00 WT1 H ATOM 16018 OH2 TIP3 5085 -4.883 0.364 6.024 1.00 0.00 WT1 O ATOM 16019 H1 TIP3 5085 -5.568 -3.506 7.175 1.00 0.00 WT1 H ATOM 16020 H2 TIP3 5085 -12.875 17.474 7.558 1.00 0.00 WT1 H ATOM 16021 OH2 TIP3 5088 7.428 5.954 1.085 1.00 0.00 WT1 O ATOM 16022 H1 TIP3 5088 -10.710 5.189 -19.274 1.00 0.00 WT1 H ATOM 16023 H2 TIP3 5088 13.338 16.473 1.335 1.00 0.00 WT1 H ATOM 16024 OH2 TIP3 5090 -0.533 3.425 7.157 1.00 0.00 WT1 O ATOM 16025 H1 TIP3 5090 -2.718 6.383 -7.920 1.00 0.00 WT1 H ATOM 16026 H2 TIP3 5090 5.289 -7.080 7.725 1.00 0.00 WT1 H ATOM 16027 OH2 TIP3 5091 5.038 7.024 -0.591 1.00 0.00 WT1 O ATOM 16028 H1 TIP3 5091 2.722 5.948 4.563 1.00 0.00 WT1 H ATOM 16029 H2 TIP3 5091 26.229 9.160 -10.638 1.00 0.00 WT1 H ATOM 16030 OH2 TIP3 5092 -2.908 -2.649 -1.913 1.00 0.00 WT1 O ATOM 16031 H1 TIP3 5092 3.205 13.361 -3.100 1.00 0.00 WT1 H ATOM 16032 H2 TIP3 5092 -9.092 2.852 12.989 1.00 0.00 WT1 H ATOM 16033 OH2 TIP3 5093 2.743 1.185 3.319 1.00 0.00 WT1 O ATOM 16034 H1 TIP3 5093 17.271 -5.241 2.647 1.00 0.00 WT1 H ATOM 16035 H2 TIP3 5093 -24.990 3.906 -5.845 1.00 0.00 WT1 H ATOM 16036 OH2 TIP3 5096 6.903 -2.901 0.880 1.00 0.00 WT1 O ATOM 16037 H1 TIP3 5096 -4.470 -4.396 1.674 1.00 0.00 WT1 H ATOM 16038 H2 TIP3 5096 19.849 -2.176 0.818 1.00 0.00 WT1 H ATOM 16039 OH2 TIP3 5097 1.098 1.440 -4.292 1.00 0.00 WT1 O ATOM 16040 H1 TIP3 5097 27.684 9.106 -14.133 1.00 0.00 WT1 H ATOM 16041 H2 TIP3 5097 -11.441 24.664 -6.330 1.00 0.00 WT1 H ATOM 16042 OH2 TIP3 5103 -0.743 -6.712 1.488 1.00 0.00 WT1 O ATOM 16043 H1 TIP3 5103 2.794 -4.473 -16.482 1.00 0.00 WT1 H ATOM 16044 H2 TIP3 5103 -3.670 -8.517 2.803 1.00 0.00 WT1 H ATOM 16045 OH2 TIP3 5104 0.868 1.813 2.589 1.00 0.00 WT1 O ATOM 16046 H1 TIP3 5104 -4.845 10.786 30.263 1.00 0.00 WT1 H ATOM 16047 H2 TIP3 5104 2.277 8.648 -7.703 1.00 0.00 WT1 H ATOM 16048 OH2 TIP3 5106 10.016 -2.754 5.978 1.00 0.00 WT1 O ATOM 16049 H1 TIP3 5106 -4.006 5.271 3.589 1.00 0.00 WT1 H ATOM 16050 H2 TIP3 5106 20.734 6.364 -6.380 1.00 0.00 WT1 H ATOM 16051 OH2 TIP3 5108 -2.563 -3.160 6.869 1.00 0.00 WT1 O ATOM 16052 H1 TIP3 5108 -3.416 -8.971 9.166 1.00 0.00 WT1 H ATOM 16053 H2 TIP3 5108 0.468 11.565 8.103 1.00 0.00 WT1 H ATOM 16054 OH2 TIP3 5109 -1.450 -0.945 2.233 1.00 0.00 WT1 O ATOM 16055 H1 TIP3 5109 -18.118 -7.686 -4.099 1.00 0.00 WT1 H ATOM 16056 H2 TIP3 5109 -16.085 13.660 6.548 1.00 0.00 WT1 H ATOM 16057 OH2 TIP3 5110 -2.087 2.049 -6.765 1.00 0.00 WT1 O ATOM 16058 H1 TIP3 5110 4.131 -7.611 2.495 1.00 0.00 WT1 H ATOM 16059 H2 TIP3 5110 -5.660 1.777 17.294 1.00 0.00 WT1 H ATOM 16060 OH2 TIP3 5111 5.877 1.302 6.892 1.00 0.00 WT1 O ATOM 16061 H1 TIP3 5111 -1.943 27.612 -16.419 1.00 0.00 WT1 H ATOM 16062 H2 TIP3 5111 -7.299 -9.715 -10.868 1.00 0.00 WT1 H ATOM 16063 OH2 TIP3 5114 2.089 -9.455 -0.656 1.00 0.00 WT1 O ATOM 16064 H1 TIP3 5114 0.494 -2.898 8.613 1.00 0.00 WT1 H ATOM 16065 H2 TIP3 5114 6.562 -6.515 -0.318 1.00 0.00 WT1 H ATOM 16066 OH2 TIP3 5116 6.547 -3.204 -2.591 1.00 0.00 WT1 O ATOM 16067 H1 TIP3 5116 13.806 -10.544 11.288 1.00 0.00 WT1 H ATOM 16068 H2 TIP3 5116 18.846 -3.446 17.731 1.00 0.00 WT1 H ATOM 16069 OH2 TIP3 5117 -0.055 5.267 -0.219 1.00 0.00 WT1 O ATOM 16070 H1 TIP3 5117 -12.355 2.944 -21.171 1.00 0.00 WT1 H ATOM 16071 H2 TIP3 5117 1.892 2.906 -3.450 1.00 0.00 WT1 H ATOM 16072 OH2 TIP3 5122 1.007 -0.744 -1.138 1.00 0.00 WT1 O ATOM 16073 H1 TIP3 5122 -8.999 2.555 25.457 1.00 0.00 WT1 H ATOM 16074 H2 TIP3 5122 -12.234 14.283 0.401 1.00 0.00 WT1 H ATOM 16075 OH2 TIP3 5124 -0.668 -0.293 4.392 1.00 0.00 WT1 O ATOM 16076 H1 TIP3 5124 -16.438 -0.044 3.052 1.00 0.00 WT1 H ATOM 16077 H2 TIP3 5124 12.875 5.673 8.361 1.00 0.00 WT1 H ATOM 16078 OH2 TIP3 5125 -1.529 -1.778 -0.379 1.00 0.00 WT1 O ATOM 16079 H1 TIP3 5125 -14.208 -20.037 5.383 1.00 0.00 WT1 H ATOM 16080 H2 TIP3 5125 3.420 3.464 2.025 1.00 0.00 WT1 H ATOM 16081 OH2 TIP3 5126 -1.937 -2.029 -1.029 1.00 0.00 WT1 O ATOM 16082 H1 TIP3 5126 -20.357 0.920 44.946 1.00 0.00 WT1 H ATOM 16083 H2 TIP3 5126 0.139 5.419 -0.812 1.00 0.00 WT1 H ATOM 16084 OH2 TIP3 5127 1.184 0.339 -1.101 1.00 0.00 WT1 O ATOM 16085 H1 TIP3 5127 -1.665 -0.774 5.193 1.00 0.00 WT1 H ATOM 16086 H2 TIP3 5127 1.138 4.181 -4.418 1.00 0.00 WT1 H ATOM 16087 OH2 TIP3 5128 3.620 -6.023 -2.371 1.00 0.00 WT1 O ATOM 16088 H1 TIP3 5128 -5.169 -1.050 -6.149 1.00 0.00 WT1 H ATOM 16089 H2 TIP3 5128 6.220 11.959 -4.701 1.00 0.00 WT1 H ATOM 16090 OH2 TIP3 5129 -1.595 -1.979 -2.739 1.00 0.00 WT1 O ATOM 16091 H1 TIP3 5129 3.209 23.566 29.671 1.00 0.00 WT1 H ATOM 16092 H2 TIP3 5129 -4.786 -1.557 0.256 1.00 0.00 WT1 H ATOM 16093 OH2 TIP3 5130 4.862 -0.662 -5.340 1.00 0.00 WT1 O ATOM 16094 H1 TIP3 5130 2.272 -5.704 2.734 1.00 0.00 WT1 H ATOM 16095 H2 TIP3 5130 4.314 -0.400 -5.749 1.00 0.00 WT1 H ATOM 16096 OH2 TIP3 5131 -6.482 2.131 -2.706 1.00 0.00 WT1 O ATOM 16097 H1 TIP3 5131 -7.906 3.906 -1.341 1.00 0.00 WT1 H ATOM 16098 H2 TIP3 5131 -12.805 12.179 6.036 1.00 0.00 WT1 H ATOM 16099 OH2 TIP3 5132 -6.219 -0.878 -2.620 1.00 0.00 WT1 O ATOM 16100 H1 TIP3 5132 1.491 -8.893 2.787 1.00 0.00 WT1 H ATOM 16101 H2 TIP3 5132 -15.080 -9.425 1.073 1.00 0.00 WT1 H ATOM 16102 OH2 TIP3 5133 -5.796 0.271 1.258 1.00 0.00 WT1 O ATOM 16103 H1 TIP3 5133 1.953 -2.257 5.473 1.00 0.00 WT1 H ATOM 16104 H2 TIP3 5133 15.553 6.543 -16.861 1.00 0.00 WT1 H ATOM 16105 OH2 TIP3 5134 -1.395 -3.093 -2.642 1.00 0.00 WT1 O ATOM 16106 H1 TIP3 5134 -24.231 27.397 -10.183 1.00 0.00 WT1 H ATOM 16107 H2 TIP3 5134 -23.237 -11.523 -9.267 1.00 0.00 WT1 H ATOM 16108 OH2 TIP3 5135 1.245 1.501 -3.581 1.00 0.00 WT1 O ATOM 16109 H1 TIP3 5135 19.106 -8.361 -3.272 1.00 0.00 WT1 H ATOM 16110 H2 TIP3 5135 7.048 20.082 -2.820 1.00 0.00 WT1 H ATOM 16111 OH2 TIP3 5138 -0.370 0.844 -4.806 1.00 0.00 WT1 O ATOM 16112 H1 TIP3 5138 3.752 0.448 -4.627 1.00 0.00 WT1 H ATOM 16113 H2 TIP3 5138 14.282 10.818 -14.629 1.00 0.00 WT1 H ATOM 16114 OH2 TIP3 5143 -1.789 -5.228 -5.598 1.00 0.00 WT1 O ATOM 16115 H1 TIP3 5143 -1.253 -5.593 -5.416 1.00 0.00 WT1 H ATOM 16116 H2 TIP3 5143 3.110 -8.636 6.687 1.00 0.00 WT1 H ATOM 16117 OH2 TIP3 5144 1.073 -6.588 -1.391 1.00 0.00 WT1 O ATOM 16118 H1 TIP3 5144 -19.778 -0.132 -13.317 1.00 0.00 WT1 H ATOM 16119 H2 TIP3 5144 -0.217 -4.292 6.988 1.00 0.00 WT1 H ATOM 16120 OH2 TIP3 5146 2.060 -3.658 0.802 1.00 0.00 WT1 O ATOM 16121 H1 TIP3 5146 1.166 -1.502 8.082 1.00 0.00 WT1 H ATOM 16122 H2 TIP3 5146 8.862 -6.672 0.012 1.00 0.00 WT1 H ATOM 16123 OH2 TIP3 5147 -4.450 3.727 -4.830 1.00 0.00 WT1 O ATOM 16124 H1 TIP3 5147 6.758 16.306 -22.573 1.00 0.00 WT1 H ATOM 16125 H2 TIP3 5147 -0.789 8.371 -11.213 1.00 0.00 WT1 H ATOM 16126 OH2 TIP3 5148 -2.389 7.648 9.652 1.00 0.00 WT1 O ATOM 16127 H1 TIP3 5148 10.663 13.949 4.952 1.00 0.00 WT1 H ATOM 16128 H2 TIP3 5148 2.046 23.347 13.192 1.00 0.00 WT1 H ATOM 16129 OH2 TIP3 5149 4.393 -3.048 11.112 1.00 0.00 WT1 O ATOM 16130 H1 TIP3 5149 10.606 20.121 11.672 1.00 0.00 WT1 H ATOM 16131 H2 TIP3 5149 -7.605 9.575 -8.373 1.00 0.00 WT1 H ATOM 16132 OH2 TIP3 5151 2.173 -6.908 5.338 1.00 0.00 WT1 O ATOM 16133 H1 TIP3 5151 2.288 1.379 1.901 1.00 0.00 WT1 H ATOM 16134 H2 TIP3 5151 3.029 3.514 3.659 1.00 0.00 WT1 H ATOM 16135 OH2 TIP3 5152 -0.057 1.441 2.432 1.00 0.00 WT1 O ATOM 16136 H1 TIP3 5152 7.939 4.935 -7.704 1.00 0.00 WT1 H ATOM 16137 H2 TIP3 5152 8.584 2.361 13.929 1.00 0.00 WT1 H ATOM 16138 OH2 TIP3 5154 0.310 -1.382 -4.075 1.00 0.00 WT1 O ATOM 16139 H1 TIP3 5154 -5.295 4.279 -12.492 1.00 0.00 WT1 H ATOM 16140 H2 TIP3 5154 16.846 -14.833 4.216 1.00 0.00 WT1 H ATOM 16141 OH2 TIP3 5156 2.372 -3.324 -5.705 1.00 0.00 WT1 O ATOM 16142 H1 TIP3 5156 -0.445 -13.693 -6.198 1.00 0.00 WT1 H ATOM 16143 H2 TIP3 5156 -2.790 -13.063 -6.331 1.00 0.00 WT1 H ATOM 16144 OH2 TIP3 5162 2.720 -6.596 -4.758 1.00 0.00 WT1 O ATOM 16145 H1 TIP3 5162 -5.803 -11.458 -3.510 1.00 0.00 WT1 H ATOM 16146 H2 TIP3 5162 8.976 -2.683 -3.926 1.00 0.00 WT1 H ATOM 16147 OH2 TIP3 5163 -5.774 -1.329 -1.484 1.00 0.00 WT1 O ATOM 16148 H1 TIP3 5163 1.482 -0.878 -10.848 1.00 0.00 WT1 H ATOM 16149 H2 TIP3 5163 2.806 -17.148 4.188 1.00 0.00 WT1 H ATOM 16150 OH2 TIP3 5164 8.086 -0.921 2.210 1.00 0.00 WT1 O ATOM 16151 H1 TIP3 5164 -1.249 15.387 -11.276 1.00 0.00 WT1 H ATOM 16152 H2 TIP3 5164 10.796 -0.892 5.557 1.00 0.00 WT1 H ATOM 16153 OH2 TIP3 5165 -2.619 1.906 -9.588 1.00 0.00 WT1 O ATOM 16154 H1 TIP3 5165 -1.844 2.076 -11.861 1.00 0.00 WT1 H ATOM 16155 H2 TIP3 5165 -9.697 5.492 -4.934 1.00 0.00 WT1 H ATOM 16156 OH2 TIP3 5166 5.604 2.521 -5.444 1.00 0.00 WT1 O ATOM 16157 H1 TIP3 5166 5.392 5.883 4.673 1.00 0.00 WT1 H ATOM 16158 H2 TIP3 5166 3.040 8.685 -0.298 1.00 0.00 WT1 H ATOM 16159 OH2 TIP3 5167 2.784 -0.233 4.499 1.00 0.00 WT1 O ATOM 16160 H1 TIP3 5167 10.437 8.175 13.085 1.00 0.00 WT1 H ATOM 16161 H2 TIP3 5167 9.225 27.720 17.666 1.00 0.00 WT1 H ATOM 16162 OH2 TIP3 5168 -0.544 5.454 1.600 1.00 0.00 WT1 O ATOM 16163 H1 TIP3 5168 -32.338 18.994 8.467 1.00 0.00 WT1 H ATOM 16164 H2 TIP3 5168 20.826 -18.290 3.272 1.00 0.00 WT1 H ATOM 16165 OH2 TIP3 5169 -0.348 -7.453 -8.268 1.00 0.00 WT1 O ATOM 16166 H1 TIP3 5169 0.228 -4.836 3.016 1.00 0.00 WT1 H ATOM 16167 H2 TIP3 5169 3.843 -2.901 -18.867 1.00 0.00 WT1 H ATOM 16168 OH2 TIP3 5170 -1.930 3.592 -3.010 1.00 0.00 WT1 O ATOM 16169 H1 TIP3 5170 -2.556 5.678 5.907 1.00 0.00 WT1 H ATOM 16170 H2 TIP3 5170 -7.781 -0.363 -6.144 1.00 0.00 WT1 H ATOM 16171 OH2 TIP3 5171 -2.450 6.479 -3.434 1.00 0.00 WT1 O ATOM 16172 H1 TIP3 5171 -15.074 8.265 4.802 1.00 0.00 WT1 H ATOM 16173 H2 TIP3 5171 -2.925 20.122 -2.158 1.00 0.00 WT1 H ATOM 16174 OH2 TIP3 5172 -2.499 0.757 -1.584 1.00 0.00 WT1 O ATOM 16175 H1 TIP3 5172 3.108 24.180 -3.497 1.00 0.00 WT1 H ATOM 16176 H2 TIP3 5172 4.630 -6.100 19.428 1.00 0.00 WT1 H ATOM 16177 OH2 TIP3 5173 4.144 0.637 -0.421 1.00 0.00 WT1 O ATOM 16178 H1 TIP3 5173 -12.145 14.192 3.866 1.00 0.00 WT1 H ATOM 16179 H2 TIP3 5173 5.660 -4.354 16.061 1.00 0.00 WT1 H ATOM 16180 OH2 TIP3 5174 4.081 -3.633 1.511 1.00 0.00 WT1 O ATOM 16181 H1 TIP3 5174 5.643 -15.374 -7.890 1.00 0.00 WT1 H ATOM 16182 H2 TIP3 5174 -1.338 3.349 14.072 1.00 0.00 WT1 H ATOM 16183 OH2 TIP3 5175 -1.453 3.247 -3.475 1.00 0.00 WT1 O ATOM 16184 H1 TIP3 5175 0.147 3.706 2.310 1.00 0.00 WT1 H ATOM 16185 H2 TIP3 5175 -1.510 9.591 -4.600 1.00 0.00 WT1 H ATOM 16186 OH2 TIP3 5176 -4.063 5.619 -3.642 1.00 0.00 WT1 O ATOM 16187 H1 TIP3 5176 12.479 -11.947 -24.175 1.00 0.00 WT1 H ATOM 16188 H2 TIP3 5176 -9.123 17.976 3.556 1.00 0.00 WT1 H ATOM 16189 OH2 TIP3 5180 0.405 4.903 -0.201 1.00 0.00 WT1 O ATOM 16190 H1 TIP3 5180 -7.574 -5.107 7.580 1.00 0.00 WT1 H ATOM 16191 H2 TIP3 5180 -8.928 -14.200 3.783 1.00 0.00 WT1 H ATOM 16192 OH2 TIP3 5185 1.284 -0.755 -1.615 1.00 0.00 WT1 O ATOM 16193 H1 TIP3 5185 -4.914 13.461 4.164 1.00 0.00 WT1 H ATOM 16194 H2 TIP3 5185 -14.543 13.424 27.545 1.00 0.00 WT1 H ATOM 16195 OH2 TIP3 5186 2.179 9.145 4.959 1.00 0.00 WT1 O ATOM 16196 H1 TIP3 5186 -5.631 -0.165 -0.598 1.00 0.00 WT1 H ATOM 16197 H2 TIP3 5186 -15.326 27.465 0.659 1.00 0.00 WT1 H ATOM 16198 OH2 TIP3 5187 1.952 1.039 6.925 1.00 0.00 WT1 O ATOM 16199 H1 TIP3 5187 6.433 1.777 2.160 1.00 0.00 WT1 H ATOM 16200 H2 TIP3 5187 8.359 13.439 4.066 1.00 0.00 WT1 H ATOM 16201 OH2 TIP3 5188 -4.880 -2.017 -0.496 1.00 0.00 WT1 O ATOM 16202 H1 TIP3 5188 -3.301 -4.857 -4.479 1.00 0.00 WT1 H ATOM 16203 H2 TIP3 5188 -5.019 3.034 6.536 1.00 0.00 WT1 H ATOM 16204 OH2 TIP3 5189 -6.564 -2.087 5.050 1.00 0.00 WT1 O ATOM 16205 H1 TIP3 5189 -14.762 -4.798 4.439 1.00 0.00 WT1 H ATOM 16206 H2 TIP3 5189 1.542 -0.474 5.617 1.00 0.00 WT1 H ATOM 16207 OH2 TIP3 5190 -1.262 -3.613 -0.861 1.00 0.00 WT1 O ATOM 16208 H1 TIP3 5190 -50.223 -15.304 -35.950 1.00 0.00 WT1 H ATOM 16209 H2 TIP3 5190 -1.772 -5.127 8.379 1.00 0.00 WT1 H ATOM 16210 OH2 TIP3 5191 -3.814 2.916 -1.314 1.00 0.00 WT1 O ATOM 16211 H1 TIP3 5191 -10.968 3.440 -0.123 1.00 0.00 WT1 H ATOM 16212 H2 TIP3 5191 -6.576 11.759 -18.944 1.00 0.00 WT1 H ATOM 16213 OH2 TIP3 5192 -0.613 5.604 -5.193 1.00 0.00 WT1 O ATOM 16214 H1 TIP3 5192 10.372 -1.409 2.618 1.00 0.00 WT1 H ATOM 16215 H2 TIP3 5192 -20.867 0.964 -16.886 1.00 0.00 WT1 H ATOM 16216 OH2 TIP3 5193 3.515 6.603 -1.230 1.00 0.00 WT1 O ATOM 16217 H1 TIP3 5193 23.767 -1.138 8.831 1.00 0.00 WT1 H ATOM 16218 H2 TIP3 5193 16.785 -3.654 4.608 1.00 0.00 WT1 H ATOM 16219 OH2 TIP3 5194 2.765 -7.010 8.924 1.00 0.00 WT1 O ATOM 16220 H1 TIP3 5194 5.286 -5.592 4.519 1.00 0.00 WT1 H ATOM 16221 H2 TIP3 5194 4.703 -6.759 -0.438 1.00 0.00 WT1 H ATOM 16222 OH2 TIP3 5196 -5.748 2.873 -2.718 1.00 0.00 WT1 O ATOM 16223 H1 TIP3 5196 -3.766 12.065 -4.058 1.00 0.00 WT1 H ATOM 16224 H2 TIP3 5196 -19.184 -4.499 7.835 1.00 0.00 WT1 H ATOM 16225 OH2 TIP3 5199 2.837 0.080 -6.807 1.00 0.00 WT1 O ATOM 16226 H1 TIP3 5199 0.070 18.487 -20.611 1.00 0.00 WT1 H ATOM 16227 H2 TIP3 5199 4.959 -3.622 -14.018 1.00 0.00 WT1 H ATOM 16228 OH2 TIP3 5202 5.274 -1.312 4.415 1.00 0.00 WT1 O ATOM 16229 H1 TIP3 5202 10.965 -2.274 1.447 1.00 0.00 WT1 H ATOM 16230 H2 TIP3 5202 3.799 1.464 24.851 1.00 0.00 WT1 H ATOM 16231 OH2 TIP3 5205 -0.415 -0.521 6.999 1.00 0.00 WT1 O ATOM 16232 H1 TIP3 5205 -0.106 22.432 11.939 1.00 0.00 WT1 H ATOM 16233 H2 TIP3 5205 -3.117 19.419 6.669 1.00 0.00 WT1 H ATOM 16234 OH2 TIP3 5206 1.075 0.178 3.483 1.00 0.00 WT1 O ATOM 16235 H1 TIP3 5206 -1.625 12.806 -5.298 1.00 0.00 WT1 H ATOM 16236 H2 TIP3 5206 -1.280 2.712 -0.374 1.00 0.00 WT1 H ATOM 16237 OH2 TIP3 5207 -4.231 2.007 -0.888 1.00 0.00 WT1 O ATOM 16238 H1 TIP3 5207 -3.472 -5.852 8.380 1.00 0.00 WT1 H ATOM 16239 H2 TIP3 5207 -8.637 0.162 -6.109 1.00 0.00 WT1 H ATOM 16240 OH2 TIP3 5209 -1.059 1.959 -4.504 1.00 0.00 WT1 O ATOM 16241 H1 TIP3 5209 1.117 -22.507 -11.881 1.00 0.00 WT1 H ATOM 16242 H2 TIP3 5209 -6.883 -30.618 -22.344 1.00 0.00 WT1 H ATOM 16243 OH2 TIP3 5211 -2.820 -1.472 7.734 1.00 0.00 WT1 O ATOM 16244 H1 TIP3 5211 0.131 -4.983 11.329 1.00 0.00 WT1 H ATOM 16245 H2 TIP3 5211 -0.025 -1.968 2.403 1.00 0.00 WT1 H ATOM 16246 OH2 TIP3 5212 -2.087 -0.951 4.387 1.00 0.00 WT1 O ATOM 16247 H1 TIP3 5212 -3.875 6.981 -12.208 1.00 0.00 WT1 H ATOM 16248 H2 TIP3 5212 -4.831 -21.960 -4.625 1.00 0.00 WT1 H ATOM 16249 OH2 TIP3 5213 -2.665 3.644 0.570 1.00 0.00 WT1 O ATOM 16250 H1 TIP3 5213 8.346 -3.673 -4.825 1.00 0.00 WT1 H ATOM 16251 H2 TIP3 5213 8.404 -5.244 -20.785 1.00 0.00 WT1 H ATOM 16252 OH2 TIP3 5214 0.481 -3.103 -4.271 1.00 0.00 WT1 O ATOM 16253 H1 TIP3 5214 7.813 -3.451 -5.594 1.00 0.00 WT1 H ATOM 16254 H2 TIP3 5214 -1.097 -4.128 -3.099 1.00 0.00 WT1 H ATOM 16255 OH2 TIP3 5216 -9.500 -3.298 1.176 1.00 0.00 WT1 O ATOM 16256 H1 TIP3 5216 8.103 -1.175 15.259 1.00 0.00 WT1 H ATOM 16257 H2 TIP3 5216 -12.054 -28.986 -7.076 1.00 0.00 WT1 H ATOM 16258 OH2 TIP3 5219 9.447 -3.257 0.310 1.00 0.00 WT1 O ATOM 16259 H1 TIP3 5219 15.064 1.355 -8.982 1.00 0.00 WT1 H ATOM 16260 H2 TIP3 5219 12.964 -8.076 3.658 1.00 0.00 WT1 H ATOM 16261 OH2 TIP3 5226 3.135 7.826 -1.492 1.00 0.00 WT1 O ATOM 16262 H1 TIP3 5226 7.990 10.260 -13.769 1.00 0.00 WT1 H ATOM 16263 H2 TIP3 5226 18.868 15.583 13.251 1.00 0.00 WT1 H ATOM 16264 OH2 TIP3 5230 1.062 -8.759 -0.102 1.00 0.00 WT1 O ATOM 16265 H1 TIP3 5230 7.834 10.848 -0.406 1.00 0.00 WT1 H ATOM 16266 H2 TIP3 5230 -4.157 30.116 15.428 1.00 0.00 WT1 H ATOM 16267 OH2 TIP3 5231 -7.952 -0.081 3.006 1.00 0.00 WT1 O ATOM 16268 H1 TIP3 5231 -26.000 -0.251 -3.862 1.00 0.00 WT1 H ATOM 16269 H2 TIP3 5231 -13.016 25.005 12.172 1.00 0.00 WT1 H ATOM 16270 OH2 TIP3 5233 1.203 -1.911 -6.320 1.00 0.00 WT1 O ATOM 16271 H1 TIP3 5233 -8.570 6.715 -14.201 1.00 0.00 WT1 H ATOM 16272 H2 TIP3 5233 -1.188 15.451 -2.908 1.00 0.00 WT1 H ATOM 16273 OH2 TIP3 5236 1.065 -1.000 -2.159 1.00 0.00 WT1 O ATOM 16274 H1 TIP3 5236 -11.410 13.962 -41.129 1.00 0.00 WT1 H ATOM 16275 H2 TIP3 5236 5.559 12.138 -19.563 1.00 0.00 WT1 H ATOM 16276 OH2 TIP3 5239 -2.659 4.381 1.381 1.00 0.00 WT1 O ATOM 16277 H1 TIP3 5239 5.275 7.426 1.129 1.00 0.00 WT1 H ATOM 16278 H2 TIP3 5239 0.193 -2.006 4.068 1.00 0.00 WT1 H ATOM 16279 OH2 TIP3 5241 -0.922 6.243 2.743 1.00 0.00 WT1 O ATOM 16280 H1 TIP3 5241 0.137 6.402 1.616 1.00 0.00 WT1 H ATOM 16281 H2 TIP3 5241 -1.890 3.847 -6.964 1.00 0.00 WT1 H ATOM 16282 OH2 TIP3 5243 -1.596 9.311 -3.826 1.00 0.00 WT1 O ATOM 16283 H1 TIP3 5243 -46.669 -8.574 6.849 1.00 0.00 WT1 H ATOM 16284 H2 TIP3 5243 -10.632 6.638 -2.133 1.00 0.00 WT1 H ATOM 16285 OH2 TIP3 5246 3.250 4.773 -4.870 1.00 0.00 WT1 O ATOM 16286 H1 TIP3 5246 6.237 -11.690 -15.484 1.00 0.00 WT1 H ATOM 16287 H2 TIP3 5246 -3.472 1.327 -5.320 1.00 0.00 WT1 H ATOM 16288 OH2 TIP3 5247 2.429 -1.846 0.316 1.00 0.00 WT1 O ATOM 16289 H1 TIP3 5247 4.320 -0.914 -20.775 1.00 0.00 WT1 H ATOM 16290 H2 TIP3 5247 9.590 -8.521 3.782 1.00 0.00 WT1 H ATOM 16291 OH2 TIP3 5251 -0.864 -3.365 -7.370 1.00 0.00 WT1 O ATOM 16292 H1 TIP3 5251 -1.786 -14.568 22.096 1.00 0.00 WT1 H ATOM 16293 H2 TIP3 5251 -7.999 -10.745 -8.090 1.00 0.00 WT1 H ATOM 16294 OH2 TIP3 5252 2.896 -2.781 2.151 1.00 0.00 WT1 O ATOM 16295 H1 TIP3 5252 12.329 0.590 -7.409 1.00 0.00 WT1 H ATOM 16296 H2 TIP3 5252 -8.445 -5.655 -6.814 1.00 0.00 WT1 H ATOM 16297 OH2 TIP3 5253 1.887 2.980 -4.989 1.00 0.00 WT1 O ATOM 16298 H1 TIP3 5253 -2.260 -10.436 -26.457 1.00 0.00 WT1 H ATOM 16299 H2 TIP3 5253 4.807 11.434 17.216 1.00 0.00 WT1 H ATOM 16300 OH2 TIP3 5254 -2.574 -0.052 -3.971 1.00 0.00 WT1 O ATOM 16301 H1 TIP3 5254 -16.077 15.288 -9.018 1.00 0.00 WT1 H ATOM 16302 H2 TIP3 5254 17.046 -11.696 -3.858 1.00 0.00 WT1 H ATOM 16303 OH2 TIP3 5255 0.267 0.104 -7.484 1.00 0.00 WT1 O ATOM 16304 H1 TIP3 5255 -1.020 -8.269 -2.228 1.00 0.00 WT1 H ATOM 16305 H2 TIP3 5255 -6.668 -6.202 0.708 1.00 0.00 WT1 H ATOM 16306 OH2 TIP3 5259 2.472 -9.154 -3.451 1.00 0.00 WT1 O ATOM 16307 H1 TIP3 5259 13.150 -6.368 -12.683 1.00 0.00 WT1 H ATOM 16308 H2 TIP3 5259 -30.042 15.227 16.786 1.00 0.00 WT1 H ATOM 16309 OH2 TIP3 5260 8.991 -0.084 -1.011 1.00 0.00 WT1 O ATOM 16310 H1 TIP3 5260 -25.170 -7.171 -7.312 1.00 0.00 WT1 H ATOM 16311 H2 TIP3 5260 9.169 -12.000 6.316 1.00 0.00 WT1 H ATOM 16312 OH2 TIP3 5264 -1.588 4.655 0.256 1.00 0.00 WT1 O ATOM 16313 H1 TIP3 5264 -3.849 0.612 -10.571 1.00 0.00 WT1 H ATOM 16314 H2 TIP3 5264 14.446 8.305 -13.982 1.00 0.00 WT1 H ATOM 16315 OH2 TIP3 5266 -0.051 -5.518 3.660 1.00 0.00 WT1 O ATOM 16316 H1 TIP3 5266 -8.873 1.225 12.167 1.00 0.00 WT1 H ATOM 16317 H2 TIP3 5266 22.658 3.336 -5.829 1.00 0.00 WT1 H ATOM 16318 OH2 TIP3 5267 -0.424 5.684 2.999 1.00 0.00 WT1 O ATOM 16319 H1 TIP3 5267 0.508 -12.667 -7.169 1.00 0.00 WT1 H ATOM 16320 H2 TIP3 5267 -4.643 -12.875 9.611 1.00 0.00 WT1 H ATOM 16321 OH2 TIP3 5268 -3.153 -1.165 -5.284 1.00 0.00 WT1 O ATOM 16322 H1 TIP3 5268 2.845 3.450 -19.642 1.00 0.00 WT1 H ATOM 16323 H2 TIP3 5268 5.148 5.527 4.730 1.00 0.00 WT1 H ATOM 16324 OH2 TIP3 5269 -5.447 4.065 -1.478 1.00 0.00 WT1 O ATOM 16325 H1 TIP3 5269 -11.072 -0.341 8.357 1.00 0.00 WT1 H ATOM 16326 H2 TIP3 5269 -6.202 7.232 3.873 1.00 0.00 WT1 H ATOM 16327 OH2 TIP3 5270 -1.722 2.281 -1.882 1.00 0.00 WT1 O ATOM 16328 H1 TIP3 5270 -13.636 8.568 -4.592 1.00 0.00 WT1 H ATOM 16329 H2 TIP3 5270 -4.078 0.740 -2.310 1.00 0.00 WT1 H ATOM 16330 OH2 TIP3 5271 -4.051 3.936 -3.878 1.00 0.00 WT1 O ATOM 16331 H1 TIP3 5271 -10.743 -5.066 0.381 1.00 0.00 WT1 H ATOM 16332 H2 TIP3 5271 6.449 21.605 4.040 1.00 0.00 WT1 H ATOM 16333 OH2 TIP3 5272 2.436 2.467 -2.479 1.00 0.00 WT1 O ATOM 16334 H1 TIP3 5272 5.036 11.859 2.086 1.00 0.00 WT1 H ATOM 16335 H2 TIP3 5272 2.835 3.274 0.308 1.00 0.00 WT1 H ATOM 16336 OH2 TIP3 5273 -5.297 -3.746 1.953 1.00 0.00 WT1 O ATOM 16337 H1 TIP3 5273 -0.141 -12.048 -8.962 1.00 0.00 WT1 H ATOM 16338 H2 TIP3 5273 -11.402 -14.696 22.538 1.00 0.00 WT1 H ATOM 16339 OH2 TIP3 5274 -0.279 6.767 0.808 1.00 0.00 WT1 O ATOM 16340 H1 TIP3 5274 -14.182 16.414 20.249 1.00 0.00 WT1 H ATOM 16341 H2 TIP3 5274 -10.706 -6.358 -6.224 1.00 0.00 WT1 H ATOM 16342 OH2 TIP3 5275 -5.527 1.329 6.413 1.00 0.00 WT1 O ATOM 16343 H1 TIP3 5275 -15.566 -1.232 10.440 1.00 0.00 WT1 H ATOM 16344 H2 TIP3 5275 4.625 22.471 -14.468 1.00 0.00 WT1 H ATOM 16345 OH2 TIP3 5276 -6.580 -2.034 1.263 1.00 0.00 WT1 O ATOM 16346 H1 TIP3 5276 -12.025 24.742 -11.687 1.00 0.00 WT1 H ATOM 16347 H2 TIP3 5276 -3.281 -8.795 -0.347 1.00 0.00 WT1 H ATOM 16348 OH2 TIP3 5277 7.065 2.001 1.840 1.00 0.00 WT1 O ATOM 16349 H1 TIP3 5277 -11.230 1.194 -8.654 1.00 0.00 WT1 H ATOM 16350 H2 TIP3 5277 -2.536 16.088 -15.813 1.00 0.00 WT1 H ATOM 16351 OH2 TIP3 5278 3.127 7.195 -0.968 1.00 0.00 WT1 O ATOM 16352 H1 TIP3 5278 -1.651 1.765 -0.615 1.00 0.00 WT1 H ATOM 16353 H2 TIP3 5278 -5.857 -11.475 28.026 1.00 0.00 WT1 H ATOM 16354 OH2 TIP3 5280 -0.785 -3.543 1.048 1.00 0.00 WT1 O ATOM 16355 H1 TIP3 5280 2.424 -9.270 2.327 1.00 0.00 WT1 H ATOM 16356 H2 TIP3 5280 -7.302 6.480 -0.001 1.00 0.00 WT1 H ATOM 16357 OH2 TIP3 5283 0.421 5.033 7.287 1.00 0.00 WT1 O ATOM 16358 H1 TIP3 5283 18.479 -1.506 11.062 1.00 0.00 WT1 H ATOM 16359 H2 TIP3 5283 -11.155 9.931 5.204 1.00 0.00 WT1 H ATOM 16360 OH2 TIP3 5284 -1.109 -1.807 3.142 1.00 0.00 WT1 O ATOM 16361 H1 TIP3 5284 -14.176 -7.807 8.659 1.00 0.00 WT1 H ATOM 16362 H2 TIP3 5284 6.407 20.972 -1.094 1.00 0.00 WT1 H ATOM 16363 OH2 TIP3 5286 -1.126 4.571 -5.041 1.00 0.00 WT1 O ATOM 16364 H1 TIP3 5286 2.222 -3.964 -14.602 1.00 0.00 WT1 H ATOM 16365 H2 TIP3 5286 22.148 16.446 3.703 1.00 0.00 WT1 H ATOM 16366 OH2 TIP3 5288 7.421 -7.928 0.951 1.00 0.00 WT1 O ATOM 16367 H1 TIP3 5288 8.090 6.064 -17.683 1.00 0.00 WT1 H ATOM 16368 H2 TIP3 5288 6.048 -3.860 10.210 1.00 0.00 WT1 H ATOM 16369 OH2 TIP3 5289 5.302 -1.441 3.616 1.00 0.00 WT1 O ATOM 16370 H1 TIP3 5289 5.178 1.709 9.709 1.00 0.00 WT1 H ATOM 16371 H2 TIP3 5289 -0.994 -27.889 0.435 1.00 0.00 WT1 H ATOM 16372 OH2 TIP3 5292 3.763 3.414 0.543 1.00 0.00 WT1 O ATOM 16373 H1 TIP3 5292 8.101 4.374 4.302 1.00 0.00 WT1 H ATOM 16374 H2 TIP3 5292 -14.394 10.672 -15.761 1.00 0.00 WT1 H ATOM 16375 OH2 TIP3 5293 1.307 5.022 6.622 1.00 0.00 WT1 O ATOM 16376 H1 TIP3 5293 -11.308 6.918 -16.485 1.00 0.00 WT1 H ATOM 16377 H2 TIP3 5293 -7.379 19.206 13.866 1.00 0.00 WT1 H ATOM 16378 OH2 TIP3 5294 2.664 -0.972 2.292 1.00 0.00 WT1 O ATOM 16379 H1 TIP3 5294 -1.780 1.840 -16.720 1.00 0.00 WT1 H ATOM 16380 H2 TIP3 5294 -1.987 -20.472 1.217 1.00 0.00 WT1 H ATOM 16381 OH2 TIP3 5295 8.845 -0.591 -0.930 1.00 0.00 WT1 O ATOM 16382 H1 TIP3 5295 2.722 2.935 -6.026 1.00 0.00 WT1 H ATOM 16383 H2 TIP3 5295 23.236 -4.636 -1.238 1.00 0.00 WT1 H ATOM 16384 OH2 TIP3 5296 -4.800 3.133 -4.756 1.00 0.00 WT1 O ATOM 16385 H1 TIP3 5296 11.958 -6.536 -16.627 1.00 0.00 WT1 H ATOM 16386 H2 TIP3 5296 -12.472 -12.514 7.591 1.00 0.00 WT1 H ATOM 16387 OH2 TIP3 5297 -5.803 1.222 1.063 1.00 0.00 WT1 O ATOM 16388 H1 TIP3 5297 3.266 23.208 9.127 1.00 0.00 WT1 H ATOM 16389 H2 TIP3 5297 -1.269 16.481 9.253 1.00 0.00 WT1 H ATOM 16390 OH2 TIP3 5298 -1.996 -2.289 4.028 1.00 0.00 WT1 O ATOM 16391 H1 TIP3 5298 -9.340 8.835 -0.726 1.00 0.00 WT1 H ATOM 16392 H2 TIP3 5298 10.087 -1.362 3.362 1.00 0.00 WT1 H ATOM 16393 OH2 TIP3 5300 1.531 -0.221 4.832 1.00 0.00 WT1 O ATOM 16394 H1 TIP3 5300 -8.543 3.339 -0.940 1.00 0.00 WT1 H ATOM 16395 H2 TIP3 5300 9.223 8.028 -4.454 1.00 0.00 WT1 H ATOM 16396 OH2 TIP3 5301 8.565 1.132 -1.587 1.00 0.00 WT1 O ATOM 16397 H1 TIP3 5301 8.284 -17.730 -6.745 1.00 0.00 WT1 H ATOM 16398 H2 TIP3 5301 24.662 7.653 -13.105 1.00 0.00 WT1 H ATOM 16399 OH2 TIP3 5302 -2.370 3.972 2.700 1.00 0.00 WT1 O ATOM 16400 H1 TIP3 5302 -8.278 12.748 6.048 1.00 0.00 WT1 H ATOM 16401 H2 TIP3 5302 -0.084 -6.098 8.318 1.00 0.00 WT1 H ATOM 16402 OH2 TIP3 5304 3.678 4.650 5.890 1.00 0.00 WT1 O ATOM 16403 H1 TIP3 5304 8.187 0.416 9.134 1.00 0.00 WT1 H ATOM 16404 H2 TIP3 5304 1.633 6.198 5.281 1.00 0.00 WT1 H ATOM 16405 OH2 TIP3 5305 0.157 -3.913 6.416 1.00 0.00 WT1 O ATOM 16406 H1 TIP3 5305 8.157 1.081 0.067 1.00 0.00 WT1 H ATOM 16407 H2 TIP3 5305 12.916 -8.561 11.349 1.00 0.00 WT1 H ATOM 16408 OH2 TIP3 5306 -1.765 -1.188 -3.726 1.00 0.00 WT1 O ATOM 16409 H1 TIP3 5306 9.703 13.654 48.224 1.00 0.00 WT1 H ATOM 16410 H2 TIP3 5306 0.435 2.778 14.686 1.00 0.00 WT1 H ATOM 16411 OH2 TIP3 5309 -1.018 -1.522 -6.768 1.00 0.00 WT1 O ATOM 16412 H1 TIP3 5309 9.029 -15.711 -10.995 1.00 0.00 WT1 H ATOM 16413 H2 TIP3 5309 -23.595 12.114 -1.225 1.00 0.00 WT1 H ATOM 16414 OH2 TIP3 5311 2.039 0.204 -4.597 1.00 0.00 WT1 O ATOM 16415 H1 TIP3 5311 7.532 7.060 17.273 1.00 0.00 WT1 H ATOM 16416 H2 TIP3 5311 6.954 11.593 19.920 1.00 0.00 WT1 H ATOM 16417 OH2 TIP3 5313 0.456 8.927 -5.913 1.00 0.00 WT1 O ATOM 16418 H1 TIP3 5313 -2.925 2.972 -11.082 1.00 0.00 WT1 H ATOM 16419 H2 TIP3 5313 33.793 17.766 -16.627 1.00 0.00 WT1 H ATOM 16420 OH2 TIP3 5314 7.283 -0.705 -3.176 1.00 0.00 WT1 O ATOM 16421 H1 TIP3 5314 -8.465 -10.441 -5.258 1.00 0.00 WT1 H ATOM 16422 H2 TIP3 5314 20.239 -10.606 6.312 1.00 0.00 WT1 H ATOM 16423 OH2 TIP3 5315 0.231 10.487 -1.829 1.00 0.00 WT1 O ATOM 16424 H1 TIP3 5315 0.334 9.178 -7.614 1.00 0.00 WT1 H ATOM 16425 H2 TIP3 5315 -5.236 9.368 0.183 1.00 0.00 WT1 H ATOM 16426 OH2 TIP3 5316 3.837 6.377 -6.830 1.00 0.00 WT1 O ATOM 16427 H1 TIP3 5316 -3.587 9.651 -3.671 1.00 0.00 WT1 H ATOM 16428 H2 TIP3 5316 -0.705 2.191 -3.753 1.00 0.00 WT1 H ATOM 16429 OH2 TIP3 5317 -1.660 -1.474 7.549 1.00 0.00 WT1 O ATOM 16430 H1 TIP3 5317 1.477 -14.309 15.217 1.00 0.00 WT1 H ATOM 16431 H2 TIP3 5317 1.747 -2.561 -5.066 1.00 0.00 WT1 H ATOM 16432 OH2 TIP3 5318 0.068 1.968 1.008 1.00 0.00 WT1 O ATOM 16433 H1 TIP3 5318 2.697 -0.855 -1.822 1.00 0.00 WT1 H ATOM 16434 H2 TIP3 5318 3.471 5.234 3.015 1.00 0.00 WT1 H ATOM 16435 OH2 TIP3 5319 -3.074 2.818 -9.054 1.00 0.00 WT1 O ATOM 16436 H1 TIP3 5319 2.464 2.869 -13.419 1.00 0.00 WT1 H ATOM 16437 H2 TIP3 5319 -16.324 2.714 3.840 1.00 0.00 WT1 H ATOM 16438 OH2 TIP3 5320 5.739 -6.429 2.876 1.00 0.00 WT1 O ATOM 16439 H1 TIP3 5320 8.239 -3.389 -4.840 1.00 0.00 WT1 H ATOM 16440 H2 TIP3 5320 7.746 -13.642 -4.516 1.00 0.00 WT1 H ATOM 16441 OH2 TIP3 5322 2.413 3.546 0.081 1.00 0.00 WT1 O ATOM 16442 H1 TIP3 5322 8.787 -12.234 -22.373 1.00 0.00 WT1 H ATOM 16443 H2 TIP3 5322 19.027 -3.028 17.745 1.00 0.00 WT1 H ATOM 16444 OH2 TIP3 5323 -5.266 4.209 6.086 1.00 0.00 WT1 O ATOM 16445 H1 TIP3 5323 12.459 -6.679 16.253 1.00 0.00 WT1 H ATOM 16446 H2 TIP3 5323 -10.161 -3.804 0.726 1.00 0.00 WT1 H ATOM 16447 OH2 TIP3 5325 -5.068 -2.322 1.858 1.00 0.00 WT1 O ATOM 16448 H1 TIP3 5325 -16.155 -10.961 -21.927 1.00 0.00 WT1 H ATOM 16449 H2 TIP3 5325 -16.788 -2.302 12.395 1.00 0.00 WT1 H ATOM 16450 OH2 TIP3 5326 -3.157 -2.501 2.740 1.00 0.00 WT1 O ATOM 16451 H1 TIP3 5326 -45.108 1.455 -6.160 1.00 0.00 WT1 H ATOM 16452 H2 TIP3 5326 1.201 -10.812 2.978 1.00 0.00 WT1 H ATOM 16453 OH2 TIP3 5327 3.150 4.601 0.626 1.00 0.00 WT1 O ATOM 16454 H1 TIP3 5327 -0.521 -15.494 12.714 1.00 0.00 WT1 H ATOM 16455 H2 TIP3 5327 2.395 21.630 30.387 1.00 0.00 WT1 H ATOM 16456 OH2 TIP3 5328 -0.352 2.008 -0.860 1.00 0.00 WT1 O ATOM 16457 H1 TIP3 5328 24.321 0.815 0.787 1.00 0.00 WT1 H ATOM 16458 H2 TIP3 5328 33.138 -12.254 -2.530 1.00 0.00 WT1 H ATOM 16459 OH2 TIP3 5330 2.441 -1.653 -4.103 1.00 0.00 WT1 O ATOM 16460 H1 TIP3 5330 14.557 -6.557 17.900 1.00 0.00 WT1 H ATOM 16461 H2 TIP3 5330 -2.262 -14.830 -14.755 1.00 0.00 WT1 H ATOM 16462 OH2 TIP3 5331 6.504 -7.409 -5.411 1.00 0.00 WT1 O ATOM 16463 H1 TIP3 5331 4.644 -9.345 -4.268 1.00 0.00 WT1 H ATOM 16464 H2 TIP3 5331 3.625 -5.097 -7.476 1.00 0.00 WT1 H ATOM 16465 OH2 TIP3 5333 2.504 -2.683 5.263 1.00 0.00 WT1 O ATOM 16466 H1 TIP3 5333 5.371 -1.822 -2.606 1.00 0.00 WT1 H ATOM 16467 H2 TIP3 5333 11.443 -4.142 12.450 1.00 0.00 WT1 H ATOM 16468 OH2 TIP3 5334 -0.098 -3.279 0.212 1.00 0.00 WT1 O ATOM 16469 H1 TIP3 5334 9.262 -8.363 -6.068 1.00 0.00 WT1 H ATOM 16470 H2 TIP3 5334 -10.763 -12.931 -22.161 1.00 0.00 WT1 H ATOM 16471 OH2 TIP3 5335 1.052 -1.668 -0.934 1.00 0.00 WT1 O ATOM 16472 H1 TIP3 5335 -28.192 -0.604 22.562 1.00 0.00 WT1 H ATOM 16473 H2 TIP3 5335 27.686 4.080 -27.434 1.00 0.00 WT1 H ATOM 16474 OH2 TIP3 5336 -3.102 0.763 1.555 1.00 0.00 WT1 O ATOM 16475 H1 TIP3 5336 -5.806 -14.137 -6.509 1.00 0.00 WT1 H ATOM 16476 H2 TIP3 5336 -8.631 -28.997 -8.583 1.00 0.00 WT1 H ATOM 16477 OH2 TIP3 5338 4.137 1.884 0.808 1.00 0.00 WT1 O ATOM 16478 H1 TIP3 5338 16.419 3.125 -11.213 1.00 0.00 WT1 H ATOM 16479 H2 TIP3 5338 -4.834 -11.897 -3.899 1.00 0.00 WT1 H ATOM 16480 OH2 TIP3 5339 3.149 -1.220 -1.732 1.00 0.00 WT1 O ATOM 16481 H1 TIP3 5339 -10.943 6.021 -7.608 1.00 0.00 WT1 H ATOM 16482 H2 TIP3 5339 -9.992 -2.171 -7.496 1.00 0.00 WT1 H ATOM 16483 OH2 TIP3 5340 -0.770 10.039 -1.877 1.00 0.00 WT1 O ATOM 16484 H1 TIP3 5340 12.875 -9.620 -7.528 1.00 0.00 WT1 H ATOM 16485 H2 TIP3 5340 3.884 4.855 -3.093 1.00 0.00 WT1 H ATOM 16486 OH2 TIP3 5341 1.592 -0.052 -5.499 1.00 0.00 WT1 O ATOM 16487 H1 TIP3 5341 13.161 2.229 10.447 1.00 0.00 WT1 H ATOM 16488 H2 TIP3 5341 15.755 13.272 1.893 1.00 0.00 WT1 H ATOM 16489 OH2 TIP3 5342 -2.124 -7.002 2.385 1.00 0.00 WT1 O ATOM 16490 H1 TIP3 5342 -27.660 7.304 20.872 1.00 0.00 WT1 H ATOM 16491 H2 TIP3 5342 18.104 -6.139 -6.743 1.00 0.00 WT1 H ATOM 16492 OH2 TIP3 5343 0.597 2.334 0.712 1.00 0.00 WT1 O ATOM 16493 H1 TIP3 5343 7.855 10.308 1.859 1.00 0.00 WT1 H ATOM 16494 H2 TIP3 5343 -2.461 9.807 0.672 1.00 0.00 WT1 H ATOM 16495 OH2 TIP3 5344 -1.177 5.013 -1.584 1.00 0.00 WT1 O ATOM 16496 H1 TIP3 5344 3.438 20.505 14.674 1.00 0.00 WT1 H ATOM 16497 H2 TIP3 5344 -1.436 8.208 -7.026 1.00 0.00 WT1 H ATOM 16498 OH2 TIP3 5346 -4.555 -5.044 -3.710 1.00 0.00 WT1 O ATOM 16499 H1 TIP3 5346 -3.188 -5.189 -6.566 1.00 0.00 WT1 H ATOM 16500 H2 TIP3 5346 2.185 -3.117 0.736 1.00 0.00 WT1 H ATOM 16501 OH2 TIP3 5348 3.544 3.500 2.961 1.00 0.00 WT1 O ATOM 16502 H1 TIP3 5348 -11.070 5.128 -5.596 1.00 0.00 WT1 H ATOM 16503 H2 TIP3 5348 3.637 -12.826 -1.055 1.00 0.00 WT1 H ATOM 16504 OH2 TIP3 5349 -2.864 -2.509 -2.687 1.00 0.00 WT1 O ATOM 16505 H1 TIP3 5349 -7.823 -7.303 8.407 1.00 0.00 WT1 H ATOM 16506 H2 TIP3 5349 3.510 -2.491 -7.500 1.00 0.00 WT1 H ATOM 16507 OH2 TIP3 5350 -0.259 -0.860 -1.403 1.00 0.00 WT1 O ATOM 16508 H1 TIP3 5350 -1.879 0.570 -1.056 1.00 0.00 WT1 H ATOM 16509 H2 TIP3 5350 1.324 -4.600 0.369 1.00 0.00 WT1 H ATOM 16510 OH2 TIP3 5351 -3.613 -1.109 0.608 1.00 0.00 WT1 O ATOM 16511 H1 TIP3 5351 -12.314 3.980 1.402 1.00 0.00 WT1 H ATOM 16512 H2 TIP3 5351 6.692 7.611 -8.446 1.00 0.00 WT1 H ATOM 16513 OH2 TIP3 5352 4.014 0.515 -0.710 1.00 0.00 WT1 O ATOM 16514 H1 TIP3 5352 -20.292 7.313 7.795 1.00 0.00 WT1 H ATOM 16515 H2 TIP3 5352 -2.266 9.403 -3.849 1.00 0.00 WT1 H ATOM 16516 OH2 TIP3 5353 5.737 6.425 -4.585 1.00 0.00 WT1 O ATOM 16517 H1 TIP3 5353 10.858 0.059 -29.303 1.00 0.00 WT1 H ATOM 16518 H2 TIP3 5353 22.990 3.777 -8.703 1.00 0.00 WT1 H ATOM 16519 OH2 TIP3 5354 1.519 3.311 0.939 1.00 0.00 WT1 O ATOM 16520 H1 TIP3 5354 6.987 4.338 4.373 1.00 0.00 WT1 H ATOM 16521 H2 TIP3 5354 -4.343 1.885 1.655 1.00 0.00 WT1 H ATOM 16522 OH2 TIP3 5355 5.744 3.783 -4.750 1.00 0.00 WT1 O ATOM 16523 H1 TIP3 5355 -4.153 3.692 -2.980 1.00 0.00 WT1 H ATOM 16524 H2 TIP3 5355 -2.652 -1.505 4.701 1.00 0.00 WT1 H ATOM 16525 OH2 TIP3 5356 -8.242 -10.590 -3.524 1.00 0.00 WT1 O ATOM 16526 H1 TIP3 5356 -2.295 6.852 3.290 1.00 0.00 WT1 H ATOM 16527 H2 TIP3 5356 -5.156 -3.235 -1.046 1.00 0.00 WT1 H ATOM 16528 OH2 TIP3 5357 -3.864 5.761 2.849 1.00 0.00 WT1 O ATOM 16529 H1 TIP3 5357 -28.335 -19.240 -1.990 1.00 0.00 WT1 H ATOM 16530 H2 TIP3 5357 -5.845 1.335 5.035 1.00 0.00 WT1 H ATOM 16531 OH2 TIP3 5358 -1.245 1.328 -4.205 1.00 0.00 WT1 O ATOM 16532 H1 TIP3 5358 -9.070 3.421 -0.133 1.00 0.00 WT1 H ATOM 16533 H2 TIP3 5358 -31.708 6.877 0.277 1.00 0.00 WT1 H ATOM 16534 OH2 TIP3 5359 3.126 -3.554 -3.415 1.00 0.00 WT1 O ATOM 16535 H1 TIP3 5359 15.765 -5.729 -9.958 1.00 0.00 WT1 H ATOM 16536 H2 TIP3 5359 18.037 -1.505 11.121 1.00 0.00 WT1 H ATOM 16537 OH2 TIP3 5360 1.445 0.180 -2.773 1.00 0.00 WT1 O ATOM 16538 H1 TIP3 5360 -4.087 -11.073 -18.543 1.00 0.00 WT1 H ATOM 16539 H2 TIP3 5360 -6.345 4.665 1.783 1.00 0.00 WT1 H ATOM 16540 OH2 TIP3 5361 -1.527 7.074 7.646 1.00 0.00 WT1 O ATOM 16541 H1 TIP3 5361 17.302 20.976 16.037 1.00 0.00 WT1 H ATOM 16542 H2 TIP3 5361 15.269 18.027 8.224 1.00 0.00 WT1 H ATOM 16543 OH2 TIP3 5364 11.119 -3.152 2.718 1.00 0.00 WT1 O ATOM 16544 H1 TIP3 5364 9.910 11.706 18.702 1.00 0.00 WT1 H ATOM 16545 H2 TIP3 5364 -4.719 -5.061 9.688 1.00 0.00 WT1 H ATOM 16546 OH2 TIP3 5365 -4.495 10.066 -2.562 1.00 0.00 WT1 O ATOM 16547 H1 TIP3 5365 -17.619 0.695 -7.375 1.00 0.00 WT1 H ATOM 16548 H2 TIP3 5365 8.574 26.188 8.461 1.00 0.00 WT1 H ATOM 16549 OH2 TIP3 5366 2.738 7.052 3.015 1.00 0.00 WT1 O ATOM 16550 H1 TIP3 5366 -11.303 22.497 2.808 1.00 0.00 WT1 H ATOM 16551 H2 TIP3 5366 -7.383 -7.819 -26.984 1.00 0.00 WT1 H ATOM 16552 OH2 TIP3 5368 0.768 2.912 1.116 1.00 0.00 WT1 O ATOM 16553 H1 TIP3 5368 0.322 5.525 -0.123 1.00 0.00 WT1 H ATOM 16554 H2 TIP3 5368 10.281 -6.335 9.313 1.00 0.00 WT1 H ATOM 16555 OH2 TIP3 5369 3.227 2.907 -5.278 1.00 0.00 WT1 O ATOM 16556 H1 TIP3 5369 23.098 -0.611 -23.074 1.00 0.00 WT1 H ATOM 16557 H2 TIP3 5369 2.092 11.916 4.808 1.00 0.00 WT1 H ATOM 16558 OH2 TIP3 5370 1.218 -4.794 0.002 1.00 0.00 WT1 O ATOM 16559 H1 TIP3 5370 -0.268 -27.664 9.325 1.00 0.00 WT1 H ATOM 16560 H2 TIP3 5370 3.116 -4.115 4.036 1.00 0.00 WT1 H ATOM 16561 OH2 TIP3 5371 -0.389 6.177 -0.824 1.00 0.00 WT1 O ATOM 16562 H1 TIP3 5371 -1.499 23.454 20.667 1.00 0.00 WT1 H ATOM 16563 H2 TIP3 5371 1.224 18.458 7.448 1.00 0.00 WT1 H ATOM 16564 OH2 TIP3 5372 -0.479 7.072 6.201 1.00 0.00 WT1 O ATOM 16565 H1 TIP3 5372 3.342 8.643 18.608 1.00 0.00 WT1 H ATOM 16566 H2 TIP3 5372 0.526 6.639 2.231 1.00 0.00 WT1 H ATOM 16567 OH2 TIP3 5374 4.005 2.923 5.362 1.00 0.00 WT1 O ATOM 16568 H1 TIP3 5374 5.665 -19.657 -1.718 1.00 0.00 WT1 H ATOM 16569 H2 TIP3 5374 -1.558 9.254 9.435 1.00 0.00 WT1 H ATOM 16570 OH2 TIP3 5375 1.955 -0.318 6.468 1.00 0.00 WT1 O ATOM 16571 H1 TIP3 5375 4.997 -7.501 -8.020 1.00 0.00 WT1 H ATOM 16572 H2 TIP3 5375 16.833 17.589 10.192 1.00 0.00 WT1 H ATOM 16573 OH2 TIP3 5376 -1.966 0.106 -2.103 1.00 0.00 WT1 O ATOM 16574 H1 TIP3 5376 -15.228 -22.805 13.368 1.00 0.00 WT1 H ATOM 16575 H2 TIP3 5376 32.587 -1.605 -15.279 1.00 0.00 WT1 H ATOM 16576 OH2 TIP3 5377 -6.519 -4.386 -1.882 1.00 0.00 WT1 O ATOM 16577 H1 TIP3 5377 -17.874 19.636 5.796 1.00 0.00 WT1 H ATOM 16578 H2 TIP3 5377 -16.310 8.053 -1.933 1.00 0.00 WT1 H ATOM 16579 OH2 TIP3 5378 -2.533 7.770 1.190 1.00 0.00 WT1 O ATOM 16580 H1 TIP3 5378 0.057 11.571 -4.096 1.00 0.00 WT1 H ATOM 16581 H2 TIP3 5378 -7.216 10.223 -11.383 1.00 0.00 WT1 H ATOM 16582 OH2 TIP3 5379 -5.586 3.674 2.383 1.00 0.00 WT1 O ATOM 16583 H1 TIP3 5379 -21.990 4.094 -3.757 1.00 0.00 WT1 H ATOM 16584 H2 TIP3 5379 -3.700 -3.509 -5.991 1.00 0.00 WT1 H ATOM 16585 OH2 TIP3 5380 4.837 1.966 0.518 1.00 0.00 WT1 O ATOM 16586 H1 TIP3 5380 1.945 -16.574 17.741 1.00 0.00 WT1 H ATOM 16587 H2 TIP3 5380 9.249 -1.455 -6.752 1.00 0.00 WT1 H ATOM 16588 OH2 TIP3 5381 -0.888 -5.347 -5.580 1.00 0.00 WT1 O ATOM 16589 H1 TIP3 5381 -3.082 17.215 -13.426 1.00 0.00 WT1 H ATOM 16590 H2 TIP3 5381 -11.204 12.250 7.837 1.00 0.00 WT1 H ATOM 16591 OH2 TIP3 5382 2.539 -1.208 -4.259 1.00 0.00 WT1 O ATOM 16592 H1 TIP3 5382 -7.153 -2.666 -2.216 1.00 0.00 WT1 H ATOM 16593 H2 TIP3 5382 15.075 -5.402 -1.867 1.00 0.00 WT1 H ATOM 16594 OH2 TIP3 5383 1.730 -7.886 -2.569 1.00 0.00 WT1 O ATOM 16595 H1 TIP3 5383 -2.419 10.860 -9.776 1.00 0.00 WT1 H ATOM 16596 H2 TIP3 5383 6.521 -20.177 9.485 1.00 0.00 WT1 H ATOM 16597 OH2 TIP3 5384 -1.269 1.516 -3.068 1.00 0.00 WT1 O ATOM 16598 H1 TIP3 5384 17.815 12.474 -12.205 1.00 0.00 WT1 H ATOM 16599 H2 TIP3 5384 0.237 15.315 -13.416 1.00 0.00 WT1 H ATOM 16600 OH2 TIP3 5385 0.498 1.586 -7.185 1.00 0.00 WT1 O ATOM 16601 H1 TIP3 5385 8.600 4.680 31.931 1.00 0.00 WT1 H ATOM 16602 H2 TIP3 5385 3.078 21.112 -41.966 1.00 0.00 WT1 H ATOM 16603 OH2 TIP3 5388 -2.532 1.968 -3.475 1.00 0.00 WT1 O ATOM 16604 H1 TIP3 5388 -7.287 4.312 -7.979 1.00 0.00 WT1 H ATOM 16605 H2 TIP3 5388 -12.905 6.821 1.073 1.00 0.00 WT1 H ATOM 16606 OH2 TIP3 5389 -1.250 -2.371 0.447 1.00 0.00 WT1 O ATOM 16607 H1 TIP3 5389 0.480 20.158 -5.301 1.00 0.00 WT1 H ATOM 16608 H2 TIP3 5389 7.419 45.527 -18.527 1.00 0.00 WT1 H ATOM 16609 OH2 TIP3 5390 2.336 4.283 3.863 1.00 0.00 WT1 O ATOM 16610 H1 TIP3 5390 5.624 4.043 6.462 1.00 0.00 WT1 H ATOM 16611 H2 TIP3 5390 0.587 3.664 7.407 1.00 0.00 WT1 H ATOM 16612 OH2 TIP3 5392 -4.912 -5.282 0.143 1.00 0.00 WT1 O ATOM 16613 H1 TIP3 5392 -4.434 1.517 4.516 1.00 0.00 WT1 H ATOM 16614 H2 TIP3 5392 -2.997 2.292 6.149 1.00 0.00 WT1 H ATOM 16615 OH2 TIP3 5393 -0.053 -6.399 0.856 1.00 0.00 WT1 O ATOM 16616 H1 TIP3 5393 1.175 15.935 -7.310 1.00 0.00 WT1 H ATOM 16617 H2 TIP3 5393 25.560 7.756 5.550 1.00 0.00 WT1 H ATOM 16618 OH2 TIP3 5394 0.093 -0.113 4.295 1.00 0.00 WT1 O ATOM 16619 H1 TIP3 5394 11.561 7.146 4.752 1.00 0.00 WT1 H ATOM 16620 H2 TIP3 5394 3.113 -19.046 13.773 1.00 0.00 WT1 H ATOM 16621 OH2 TIP3 5395 0.207 -0.585 0.301 1.00 0.00 WT1 O ATOM 16622 H1 TIP3 5395 -2.442 -12.617 -14.946 1.00 0.00 WT1 H ATOM 16623 H2 TIP3 5395 -7.311 13.113 -14.479 1.00 0.00 WT1 H ATOM 16624 OH2 TIP3 5396 -1.872 5.263 -3.903 1.00 0.00 WT1 O ATOM 16625 H1 TIP3 5396 -8.972 -12.680 17.942 1.00 0.00 WT1 H ATOM 16626 H2 TIP3 5396 -9.234 10.266 -16.462 1.00 0.00 WT1 H ATOM 16627 OH2 TIP3 5397 -0.577 0.046 -0.501 1.00 0.00 WT1 O ATOM 16628 H1 TIP3 5397 11.770 12.775 -9.130 1.00 0.00 WT1 H ATOM 16629 H2 TIP3 5397 1.642 -26.578 -0.042 1.00 0.00 WT1 H ATOM 16630 OH2 TIP3 5398 -2.791 -2.156 0.942 1.00 0.00 WT1 O ATOM 16631 H1 TIP3 5398 9.872 -7.425 4.602 1.00 0.00 WT1 H ATOM 16632 H2 TIP3 5398 10.619 -30.146 7.836 1.00 0.00 WT1 H ATOM 16633 OH2 TIP3 5399 4.447 -0.221 7.647 1.00 0.00 WT1 O ATOM 16634 H1 TIP3 5399 -13.909 -1.365 -4.619 1.00 0.00 WT1 H ATOM 16635 H2 TIP3 5399 -4.303 4.086 7.415 1.00 0.00 WT1 H ATOM 16636 OH2 TIP3 5400 -2.628 -3.474 -1.040 1.00 0.00 WT1 O ATOM 16637 H1 TIP3 5400 -1.579 0.766 -3.790 1.00 0.00 WT1 H ATOM 16638 H2 TIP3 5400 -2.044 5.913 -3.665 1.00 0.00 WT1 H ATOM 16639 OH2 TIP3 5402 3.358 7.273 -0.143 1.00 0.00 WT1 O ATOM 16640 H1 TIP3 5402 3.977 6.604 1.670 1.00 0.00 WT1 H ATOM 16641 H2 TIP3 5402 7.905 -6.818 6.191 1.00 0.00 WT1 H ATOM 16642 OH2 TIP3 5403 -3.693 -1.458 -1.650 1.00 0.00 WT1 O ATOM 16643 H1 TIP3 5403 3.267 -7.007 -9.170 1.00 0.00 WT1 H ATOM 16644 H2 TIP3 5403 -3.156 -14.208 7.842 1.00 0.00 WT1 H ATOM 16645 OH2 TIP3 5404 2.393 0.137 -5.348 1.00 0.00 WT1 O ATOM 16646 H1 TIP3 5404 0.541 0.461 -4.019 1.00 0.00 WT1 H ATOM 16647 H2 TIP3 5404 9.493 2.008 -6.234 1.00 0.00 WT1 H ATOM 16648 OH2 TIP3 5406 4.003 -4.262 -6.766 1.00 0.00 WT1 O ATOM 16649 H1 TIP3 5406 -1.837 8.484 14.850 1.00 0.00 WT1 H ATOM 16650 H2 TIP3 5406 13.656 6.237 -9.541 1.00 0.00 WT1 H ATOM 16651 OH2 TIP3 5408 4.563 1.583 4.138 1.00 0.00 WT1 O ATOM 16652 H1 TIP3 5408 15.534 3.191 4.564 1.00 0.00 WT1 H ATOM 16653 H2 TIP3 5408 -1.587 6.688 7.039 1.00 0.00 WT1 H ATOM 16654 OH2 TIP3 5410 -0.005 -5.428 3.035 1.00 0.00 WT1 O ATOM 16655 H1 TIP3 5410 18.027 -15.314 6.704 1.00 0.00 WT1 H ATOM 16656 H2 TIP3 5410 -13.276 0.708 -4.838 1.00 0.00 WT1 H ATOM 16657 OH2 TIP3 5411 -2.586 3.198 -2.882 1.00 0.00 WT1 O ATOM 16658 H1 TIP3 5411 -1.135 13.380 12.974 1.00 0.00 WT1 H ATOM 16659 H2 TIP3 5411 -4.703 -4.811 -13.209 1.00 0.00 WT1 H ATOM 16660 OH2 TIP3 5412 -1.224 5.041 1.480 1.00 0.00 WT1 O ATOM 16661 H1 TIP3 5412 -12.517 -9.965 -3.748 1.00 0.00 WT1 H ATOM 16662 H2 TIP3 5412 10.424 -2.908 6.593 1.00 0.00 WT1 H ATOM 16663 OH2 TIP3 5413 -1.103 4.068 -1.864 1.00 0.00 WT1 O ATOM 16664 H1 TIP3 5413 0.677 1.291 23.353 1.00 0.00 WT1 H ATOM 16665 H2 TIP3 5413 -24.478 -7.755 6.388 1.00 0.00 WT1 H ATOM 16666 OH2 TIP3 5414 2.752 4.411 -1.091 1.00 0.00 WT1 O ATOM 16667 H1 TIP3 5414 -7.777 22.170 -20.191 1.00 0.00 WT1 H ATOM 16668 H2 TIP3 5414 -17.543 -1.560 11.556 1.00 0.00 WT1 H ATOM 16669 OH2 TIP3 5415 -1.347 1.558 2.709 1.00 0.00 WT1 O ATOM 16670 H1 TIP3 5415 4.747 -3.570 8.904 1.00 0.00 WT1 H ATOM 16671 H2 TIP3 5415 -11.825 0.544 1.424 1.00 0.00 WT1 H ATOM 16672 OH2 TIP3 5416 2.369 -3.918 -0.336 1.00 0.00 WT1 O ATOM 16673 H1 TIP3 5416 1.814 -8.127 6.313 1.00 0.00 WT1 H ATOM 16674 H2 TIP3 5416 13.890 9.834 -0.751 1.00 0.00 WT1 H ATOM 16675 OH2 TIP3 5417 2.565 -4.092 -1.842 1.00 0.00 WT1 O ATOM 16676 H1 TIP3 5417 26.980 -13.364 -1.111 1.00 0.00 WT1 H ATOM 16677 H2 TIP3 5417 -20.782 7.053 -4.185 1.00 0.00 WT1 H ATOM 16678 OH2 TIP3 5418 -1.090 9.650 -4.257 1.00 0.00 WT1 O ATOM 16679 H1 TIP3 5418 1.187 16.246 1.251 1.00 0.00 WT1 H ATOM 16680 H2 TIP3 5418 13.473 18.248 -14.347 1.00 0.00 WT1 H ATOM 16681 OH2 TIP3 5419 1.437 -4.900 4.359 1.00 0.00 WT1 O ATOM 16682 H1 TIP3 5419 8.398 -6.571 -2.505 1.00 0.00 WT1 H ATOM 16683 H2 TIP3 5419 8.939 -1.553 13.835 1.00 0.00 WT1 H ATOM 16684 OH2 TIP3 5420 1.404 2.978 3.026 1.00 0.00 WT1 O ATOM 16685 H1 TIP3 5420 -5.524 -8.598 4.420 1.00 0.00 WT1 H ATOM 16686 H2 TIP3 5420 14.458 10.864 14.771 1.00 0.00 WT1 H ATOM 16687 OH2 TIP3 5421 3.133 3.197 2.846 1.00 0.00 WT1 O ATOM 16688 H1 TIP3 5421 0.304 -14.109 7.417 1.00 0.00 WT1 H ATOM 16689 H2 TIP3 5421 6.431 7.571 -18.916 1.00 0.00 WT1 H ATOM 16690 OH2 TIP3 5422 3.514 0.666 -6.526 1.00 0.00 WT1 O ATOM 16691 H1 TIP3 5422 12.121 5.220 14.526 1.00 0.00 WT1 H ATOM 16692 H2 TIP3 5422 -15.295 -11.000 1.710 1.00 0.00 WT1 H ATOM 16693 OH2 TIP3 5424 1.515 -4.889 13.400 1.00 0.00 WT1 O ATOM 16694 H1 TIP3 5424 14.910 -3.149 13.520 1.00 0.00 WT1 H ATOM 16695 H2 TIP3 5424 2.488 9.076 22.941 1.00 0.00 WT1 H ATOM 16696 OH2 TIP3 5425 -3.530 0.318 -2.207 1.00 0.00 WT1 O ATOM 16697 H1 TIP3 5425 -11.449 19.096 -5.329 1.00 0.00 WT1 H ATOM 16698 H2 TIP3 5425 -2.471 -9.885 -13.509 1.00 0.00 WT1 H ATOM 16699 OH2 TIP3 5426 0.328 0.503 -5.458 1.00 0.00 WT1 O ATOM 16700 H1 TIP3 5426 14.563 2.918 -14.554 1.00 0.00 WT1 H ATOM 16701 H2 TIP3 5426 2.740 2.293 -7.743 1.00 0.00 WT1 H ATOM 16702 OH2 TIP3 5427 -2.805 7.205 5.686 1.00 0.00 WT1 O ATOM 16703 H1 TIP3 5427 -3.357 -1.278 5.777 1.00 0.00 WT1 H ATOM 16704 H2 TIP3 5427 4.362 10.408 4.297 1.00 0.00 WT1 H ATOM 16705 OH2 TIP3 5428 -0.535 2.008 2.769 1.00 0.00 WT1 O ATOM 16706 H1 TIP3 5428 11.995 -13.718 -0.182 1.00 0.00 WT1 H ATOM 16707 H2 TIP3 5428 -5.481 31.381 3.220 1.00 0.00 WT1 H ATOM 16708 OH2 TIP3 5429 3.367 -7.915 3.806 1.00 0.00 WT1 O ATOM 16709 H1 TIP3 5429 -1.174 10.588 4.851 1.00 0.00 WT1 H ATOM 16710 H2 TIP3 5429 2.946 -13.691 2.073 1.00 0.00 WT1 H ATOM 16711 OH2 TIP3 5430 0.948 0.544 -3.751 1.00 0.00 WT1 O ATOM 16712 H1 TIP3 5430 1.786 -0.685 3.688 1.00 0.00 WT1 H ATOM 16713 H2 TIP3 5430 13.121 -16.724 22.270 1.00 0.00 WT1 H ATOM 16714 OH2 TIP3 5431 -5.096 -2.535 -0.378 1.00 0.00 WT1 O ATOM 16715 H1 TIP3 5431 30.296 -2.180 22.224 1.00 0.00 WT1 H ATOM 16716 H2 TIP3 5431 -4.993 10.993 0.649 1.00 0.00 WT1 H ATOM 16717 OH2 TIP3 5432 -1.401 -5.808 5.281 1.00 0.00 WT1 O ATOM 16718 H1 TIP3 5432 1.934 15.027 14.390 1.00 0.00 WT1 H ATOM 16719 H2 TIP3 5432 3.401 5.529 12.545 1.00 0.00 WT1 H ATOM 16720 OH2 TIP3 5433 -2.996 -2.293 -4.454 1.00 0.00 WT1 O ATOM 16721 H1 TIP3 5433 25.360 1.053 -21.077 1.00 0.00 WT1 H ATOM 16722 H2 TIP3 5433 17.657 -3.350 -20.108 1.00 0.00 WT1 H ATOM 16723 OH2 TIP3 5434 5.138 2.438 5.178 1.00 0.00 WT1 O ATOM 16724 H1 TIP3 5434 -22.101 -16.763 7.593 1.00 0.00 WT1 H ATOM 16725 H2 TIP3 5434 16.557 7.149 33.490 1.00 0.00 WT1 H ATOM 16726 OH2 TIP3 5435 -2.310 -4.515 -5.243 1.00 0.00 WT1 O ATOM 16727 H1 TIP3 5435 -7.396 -6.798 -3.737 1.00 0.00 WT1 H ATOM 16728 H2 TIP3 5435 1.191 -10.711 8.701 1.00 0.00 WT1 H ATOM 16729 OH2 TIP3 5436 -4.534 -3.539 3.208 1.00 0.00 WT1 O ATOM 16730 H1 TIP3 5436 -20.741 13.057 -21.908 1.00 0.00 WT1 H ATOM 16731 H2 TIP3 5436 2.064 2.386 17.798 1.00 0.00 WT1 H ATOM 16732 OH2 TIP3 5437 3.304 5.140 2.449 1.00 0.00 WT1 O ATOM 16733 H1 TIP3 5437 10.799 6.756 -5.133 1.00 0.00 WT1 H ATOM 16734 H2 TIP3 5437 9.093 -4.121 6.052 1.00 0.00 WT1 H ATOM 16735 OH2 TIP3 5438 0.675 -7.294 0.248 1.00 0.00 WT1 O ATOM 16736 H1 TIP3 5438 -12.685 -2.829 -5.622 1.00 0.00 WT1 H ATOM 16737 H2 TIP3 5438 5.823 -14.956 -4.988 1.00 0.00 WT1 H ATOM 16738 OH2 TIP3 5439 -5.493 2.048 5.005 1.00 0.00 WT1 O ATOM 16739 H1 TIP3 5439 -7.357 3.618 5.802 1.00 0.00 WT1 H ATOM 16740 H2 TIP3 5439 19.687 20.558 2.234 1.00 0.00 WT1 H ATOM 16741 OH2 TIP3 5440 5.268 -2.832 -1.876 1.00 0.00 WT1 O ATOM 16742 H1 TIP3 5440 0.136 -2.622 18.095 1.00 0.00 WT1 H ATOM 16743 H2 TIP3 5440 -7.434 1.340 19.971 1.00 0.00 WT1 H ATOM 16744 OH2 TIP3 5441 -0.163 0.672 -3.644 1.00 0.00 WT1 O ATOM 16745 H1 TIP3 5441 -4.360 1.731 0.897 1.00 0.00 WT1 H ATOM 16746 H2 TIP3 5441 7.695 -0.960 2.620 1.00 0.00 WT1 H ATOM 16747 OH2 TIP3 5442 0.108 -2.899 2.697 1.00 0.00 WT1 O ATOM 16748 H1 TIP3 5442 0.067 -6.318 11.494 1.00 0.00 WT1 H ATOM 16749 H2 TIP3 5442 10.644 14.065 -29.410 1.00 0.00 WT1 H ATOM 16750 OH2 TIP3 5444 4.668 2.765 1.871 1.00 0.00 WT1 O ATOM 16751 H1 TIP3 5444 -7.624 4.152 -1.800 1.00 0.00 WT1 H ATOM 16752 H2 TIP3 5444 2.809 6.938 1.619 1.00 0.00 WT1 H ATOM 16753 OH2 TIP3 5445 1.802 -0.272 -2.899 1.00 0.00 WT1 O ATOM 16754 H1 TIP3 5445 -20.165 10.048 -5.424 1.00 0.00 WT1 H ATOM 16755 H2 TIP3 5445 1.041 -18.724 -21.701 1.00 0.00 WT1 H ATOM 16756 OH2 TIP3 5446 1.043 1.200 1.690 1.00 0.00 WT1 O ATOM 16757 H1 TIP3 5446 10.246 2.010 -4.897 1.00 0.00 WT1 H ATOM 16758 H2 TIP3 5446 1.910 -29.273 6.905 1.00 0.00 WT1 H ATOM 16759 OH2 TIP3 5447 13.110 -1.994 9.779 1.00 0.00 WT1 O ATOM 16760 H1 TIP3 5447 7.009 -7.313 11.738 1.00 0.00 WT1 H ATOM 16761 H2 TIP3 5447 -2.155 -11.715 8.477 1.00 0.00 WT1 H ATOM 16762 OH2 TIP3 5448 5.140 4.571 -0.318 1.00 0.00 WT1 O ATOM 16763 H1 TIP3 5448 -6.809 1.962 13.089 1.00 0.00 WT1 H ATOM 16764 H2 TIP3 5448 13.608 6.997 8.523 1.00 0.00 WT1 H ATOM 16765 OH2 TIP3 5449 2.461 7.447 4.861 1.00 0.00 WT1 O ATOM 16766 H1 TIP3 5449 11.907 -14.489 -5.520 1.00 0.00 WT1 H ATOM 16767 H2 TIP3 5449 4.338 -7.666 -2.716 1.00 0.00 WT1 H ATOM 16768 OH2 TIP3 5450 5.873 -4.953 3.560 1.00 0.00 WT1 O ATOM 16769 H1 TIP3 5450 4.079 -1.870 9.138 1.00 0.00 WT1 H ATOM 16770 H2 TIP3 5450 -3.466 5.216 0.838 1.00 0.00 WT1 H ATOM 16771 OH2 TIP3 5451 3.117 -3.683 2.645 1.00 0.00 WT1 O ATOM 16772 H1 TIP3 5451 -19.154 11.734 26.406 1.00 0.00 WT1 H ATOM 16773 H2 TIP3 5451 -14.321 16.844 3.991 1.00 0.00 WT1 H ATOM 16774 OH2 TIP3 5452 -2.077 -5.931 -0.506 1.00 0.00 WT1 O ATOM 16775 H1 TIP3 5452 -8.088 -1.969 -10.631 1.00 0.00 WT1 H ATOM 16776 H2 TIP3 5452 7.043 -12.720 6.797 1.00 0.00 WT1 H ATOM 16777 OH2 TIP3 5454 2.035 -1.780 1.214 1.00 0.00 WT1 O ATOM 16778 H1 TIP3 5454 -5.710 2.582 8.990 1.00 0.00 WT1 H ATOM 16779 H2 TIP3 5454 2.251 -8.475 2.759 1.00 0.00 WT1 H ATOM 16780 OH2 TIP3 5456 -0.791 1.781 1.158 1.00 0.00 WT1 O ATOM 16781 H1 TIP3 5456 9.267 8.050 16.825 1.00 0.00 WT1 H ATOM 16782 H2 TIP3 5456 -7.480 -8.470 -20.707 1.00 0.00 WT1 H ATOM 16783 OH2 TIP3 5458 -2.913 4.917 0.079 1.00 0.00 WT1 O ATOM 16784 H1 TIP3 5458 2.494 13.985 5.686 1.00 0.00 WT1 H ATOM 16785 H2 TIP3 5458 4.256 16.666 3.918 1.00 0.00 WT1 H ATOM 16786 OH2 TIP3 5459 -5.542 -3.993 -2.982 1.00 0.00 WT1 O ATOM 16787 H1 TIP3 5459 -13.837 -9.654 1.236 1.00 0.00 WT1 H ATOM 16788 H2 TIP3 5459 -0.473 3.636 -10.024 1.00 0.00 WT1 H ATOM 16789 OH2 TIP3 5460 -3.186 -1.476 2.251 1.00 0.00 WT1 O ATOM 16790 H1 TIP3 5460 2.829 -8.229 3.519 1.00 0.00 WT1 H ATOM 16791 H2 TIP3 5460 -2.659 2.949 -5.111 1.00 0.00 WT1 H ATOM 16792 OH2 TIP3 5461 2.197 1.002 7.225 1.00 0.00 WT1 O ATOM 16793 H1 TIP3 5461 8.884 -5.410 -16.094 1.00 0.00 WT1 H ATOM 16794 H2 TIP3 5461 -1.041 8.667 24.005 1.00 0.00 WT1 H ATOM 16795 OH2 TIP3 5462 -3.583 0.928 -1.880 1.00 0.00 WT1 O ATOM 16796 H1 TIP3 5462 26.658 18.974 -9.173 1.00 0.00 WT1 H ATOM 16797 H2 TIP3 5462 8.630 11.750 -3.345 1.00 0.00 WT1 H ATOM 16798 OH2 TIP3 5463 7.103 3.684 -0.978 1.00 0.00 WT1 O ATOM 16799 H1 TIP3 5463 -1.831 -11.838 -1.076 1.00 0.00 WT1 H ATOM 16800 H2 TIP3 5463 11.520 19.507 2.712 1.00 0.00 WT1 H ATOM 16801 OH2 TIP3 5464 -6.876 2.594 1.145 1.00 0.00 WT1 O ATOM 16802 H1 TIP3 5464 -14.777 -14.386 -5.689 1.00 0.00 WT1 H ATOM 16803 H2 TIP3 5464 4.656 -1.309 -1.778 1.00 0.00 WT1 H ATOM 16804 OH2 TIP3 5465 -4.770 -2.301 -0.307 1.00 0.00 WT1 O ATOM 16805 H1 TIP3 5465 4.775 11.659 -2.766 1.00 0.00 WT1 H ATOM 16806 H2 TIP3 5465 -2.793 9.373 -6.868 1.00 0.00 WT1 H ATOM 16807 OH2 TIP3 5466 -8.168 2.745 -9.193 1.00 0.00 WT1 O ATOM 16808 H1 TIP3 5466 -13.800 6.533 -2.889 1.00 0.00 WT1 H ATOM 16809 H2 TIP3 5466 -10.832 6.141 -2.150 1.00 0.00 WT1 H ATOM 16810 OH2 TIP3 5467 1.749 4.954 -7.500 1.00 0.00 WT1 O ATOM 16811 H1 TIP3 5467 -18.484 2.203 -16.324 1.00 0.00 WT1 H ATOM 16812 H2 TIP3 5467 7.310 -9.276 12.335 1.00 0.00 WT1 H ATOM 16813 OH2 TIP3 5468 -1.792 10.524 -9.978 1.00 0.00 WT1 O ATOM 16814 H1 TIP3 5468 -5.799 -4.378 -4.815 1.00 0.00 WT1 H ATOM 16815 H2 TIP3 5468 -3.992 -17.688 5.789 1.00 0.00 WT1 H ATOM 16816 OH2 TIP3 5469 2.930 1.541 -7.405 1.00 0.00 WT1 O ATOM 16817 H1 TIP3 5469 -2.366 -1.274 18.652 1.00 0.00 WT1 H ATOM 16818 H2 TIP3 5469 23.682 -15.711 -11.952 1.00 0.00 WT1 H ATOM 16819 OH2 TIP3 5471 0.148 -5.305 2.221 1.00 0.00 WT1 O ATOM 16820 H1 TIP3 5471 10.886 -3.049 -5.635 1.00 0.00 WT1 H ATOM 16821 H2 TIP3 5471 5.060 -25.738 2.379 1.00 0.00 WT1 H ATOM 16822 OH2 TIP3 5474 3.191 -1.497 5.594 1.00 0.00 WT1 O ATOM 16823 H1 TIP3 5474 6.507 -5.283 -11.209 1.00 0.00 WT1 H ATOM 16824 H2 TIP3 5474 2.182 -1.389 6.897 1.00 0.00 WT1 H ATOM 16825 OH2 TIP3 5476 0.471 2.174 -4.829 1.00 0.00 WT1 O ATOM 16826 H1 TIP3 5476 7.166 -10.783 34.039 1.00 0.00 WT1 H ATOM 16827 H2 TIP3 5476 9.396 0.908 -14.985 1.00 0.00 WT1 H ATOM 16828 OH2 TIP3 5477 2.014 3.656 3.569 1.00 0.00 WT1 O ATOM 16829 H1 TIP3 5477 -8.545 0.217 -5.228 1.00 0.00 WT1 H ATOM 16830 H2 TIP3 5477 1.641 3.773 3.535 1.00 0.00 WT1 H ATOM 16831 OH2 TIP3 5478 -0.851 -1.002 -10.576 1.00 0.00 WT1 O ATOM 16832 H1 TIP3 5478 22.666 -9.346 7.069 1.00 0.00 WT1 H ATOM 16833 H2 TIP3 5478 -4.909 -7.516 -15.134 1.00 0.00 WT1 H ATOM 16834 OH2 TIP3 5479 -3.514 3.688 -2.354 1.00 0.00 WT1 O ATOM 16835 H1 TIP3 5479 -22.402 8.209 1.204 1.00 0.00 WT1 H ATOM 16836 H2 TIP3 5479 -25.698 2.979 -2.517 1.00 0.00 WT1 H ATOM 16837 OH2 TIP3 5480 -3.655 -6.164 -0.678 1.00 0.00 WT1 O ATOM 16838 H1 TIP3 5480 -3.802 1.721 -7.554 1.00 0.00 WT1 H ATOM 16839 H2 TIP3 5480 15.430 9.357 -29.850 1.00 0.00 WT1 H ATOM 16840 OH2 TIP3 5481 2.149 -0.820 2.963 1.00 0.00 WT1 O ATOM 16841 H1 TIP3 5481 17.007 -6.019 12.134 1.00 0.00 WT1 H ATOM 16842 H2 TIP3 5481 -8.869 -12.980 1.399 1.00 0.00 WT1 H ATOM 16843 OH2 TIP3 5482 -0.439 -3.366 -2.035 1.00 0.00 WT1 O ATOM 16844 H1 TIP3 5482 15.707 3.994 21.189 1.00 0.00 WT1 H ATOM 16845 H2 TIP3 5482 -9.501 -33.124 -3.306 1.00 0.00 WT1 H ATOM 16846 OH2 TIP3 5483 6.441 -5.671 1.259 1.00 0.00 WT1 O ATOM 16847 H1 TIP3 5483 1.599 -15.858 3.503 1.00 0.00 WT1 H ATOM 16848 H2 TIP3 5483 10.797 7.702 -4.905 1.00 0.00 WT1 H ATOM 16849 OH2 TIP3 5484 -4.469 -4.427 -2.079 1.00 0.00 WT1 O ATOM 16850 H1 TIP3 5484 7.465 12.636 10.096 1.00 0.00 WT1 H ATOM 16851 H2 TIP3 5484 1.005 10.794 13.436 1.00 0.00 WT1 H ATOM 16852 OH2 TIP3 5485 0.504 5.155 -0.136 1.00 0.00 WT1 O ATOM 16853 H1 TIP3 5485 -17.719 4.438 -15.313 1.00 0.00 WT1 H ATOM 16854 H2 TIP3 5485 12.862 16.575 -3.534 1.00 0.00 WT1 H ATOM 16855 OH2 TIP3 5486 -0.494 3.205 -0.910 1.00 0.00 WT1 O ATOM 16856 H1 TIP3 5486 -6.116 1.068 -6.961 1.00 0.00 WT1 H ATOM 16857 H2 TIP3 5486 -7.705 10.177 -7.330 1.00 0.00 WT1 H ATOM 16858 OH2 TIP3 5487 5.418 -0.417 6.644 1.00 0.00 WT1 O ATOM 16859 H1 TIP3 5487 -13.513 -9.823 -10.139 1.00 0.00 WT1 H ATOM 16860 H2 TIP3 5487 -12.645 22.994 11.020 1.00 0.00 WT1 H ATOM 16861 OH2 TIP3 5488 -2.205 4.321 4.467 1.00 0.00 WT1 O ATOM 16862 H1 TIP3 5488 16.103 8.962 15.615 1.00 0.00 WT1 H ATOM 16863 H2 TIP3 5488 5.174 14.706 27.207 1.00 0.00 WT1 H ATOM 16864 OH2 TIP3 5489 -2.717 -2.802 -1.895 1.00 0.00 WT1 O ATOM 16865 H1 TIP3 5489 -4.123 -16.286 17.454 1.00 0.00 WT1 H ATOM 16866 H2 TIP3 5489 -5.549 -14.778 18.789 1.00 0.00 WT1 H ATOM 16867 OH2 TIP3 5491 0.111 -2.937 -1.312 1.00 0.00 WT1 O ATOM 16868 H1 TIP3 5491 7.728 10.781 -10.560 1.00 0.00 WT1 H ATOM 16869 H2 TIP3 5491 2.629 6.165 -7.311 1.00 0.00 WT1 H ATOM 16870 OH2 TIP3 5492 -1.177 -3.743 1.732 1.00 0.00 WT1 O ATOM 16871 H1 TIP3 5492 8.210 1.510 -1.438 1.00 0.00 WT1 H ATOM 16872 H2 TIP3 5492 -3.604 -7.395 -3.333 1.00 0.00 WT1 H ATOM 16873 OH2 TIP3 5493 3.959 -0.854 -5.442 1.00 0.00 WT1 O ATOM 16874 H1 TIP3 5493 -21.796 -3.664 11.235 1.00 0.00 WT1 H ATOM 16875 H2 TIP3 5493 13.222 -1.400 -11.019 1.00 0.00 WT1 H ATOM 16876 OH2 TIP3 5494 -3.940 5.891 -2.636 1.00 0.00 WT1 O ATOM 16877 H1 TIP3 5494 -11.671 6.195 -3.915 1.00 0.00 WT1 H ATOM 16878 H2 TIP3 5494 -2.781 31.839 0.069 1.00 0.00 WT1 H ATOM 16879 OH2 TIP3 5495 -1.279 3.518 7.986 1.00 0.00 WT1 O ATOM 16880 H1 TIP3 5495 11.673 1.531 4.570 1.00 0.00 WT1 H ATOM 16881 H2 TIP3 5495 2.075 -6.709 -24.416 1.00 0.00 WT1 H ATOM 16882 OH2 TIP3 5496 -0.535 -2.007 4.280 1.00 0.00 WT1 O ATOM 16883 H1 TIP3 5496 -22.441 -6.146 6.968 1.00 0.00 WT1 H ATOM 16884 H2 TIP3 5496 -14.123 29.669 21.749 1.00 0.00 WT1 H ATOM 16885 OH2 TIP3 5497 -3.343 5.592 1.258 1.00 0.00 WT1 O ATOM 16886 H1 TIP3 5497 -33.830 6.375 17.848 1.00 0.00 WT1 H ATOM 16887 H2 TIP3 5497 1.375 18.612 -23.025 1.00 0.00 WT1 H ATOM 16888 OH2 TIP3 5498 7.738 1.068 -4.858 1.00 0.00 WT1 O ATOM 16889 H1 TIP3 5498 12.428 -3.050 -18.630 1.00 0.00 WT1 H ATOM 16890 H2 TIP3 5498 11.778 13.586 15.490 1.00 0.00 WT1 H ATOM 16891 OH2 TIP3 5500 2.338 7.077 -2.548 1.00 0.00 WT1 O ATOM 16892 H1 TIP3 5500 1.502 -7.651 -2.422 1.00 0.00 WT1 H ATOM 16893 H2 TIP3 5500 4.174 14.341 1.136 1.00 0.00 WT1 H ATOM 16894 OH2 TIP3 5503 -7.190 -2.798 2.564 1.00 0.00 WT1 O ATOM 16895 H1 TIP3 5503 19.251 8.399 -15.282 1.00 0.00 WT1 H ATOM 16896 H2 TIP3 5503 -7.993 6.951 -23.408 1.00 0.00 WT1 H ATOM 16897 OH2 TIP3 5504 -2.585 -1.336 6.713 1.00 0.00 WT1 O ATOM 16898 H1 TIP3 5504 3.478 4.463 -25.031 1.00 0.00 WT1 H ATOM 16899 H2 TIP3 5504 4.325 11.024 -3.368 1.00 0.00 WT1 H ATOM 16900 OH2 TIP3 5505 0.328 4.152 2.019 1.00 0.00 WT1 O ATOM 16901 H1 TIP3 5505 8.885 0.052 -1.696 1.00 0.00 WT1 H ATOM 16902 H2 TIP3 5505 -8.077 14.985 -8.351 1.00 0.00 WT1 H ATOM 16903 OH2 TIP3 5506 -6.341 5.501 -0.544 1.00 0.00 WT1 O ATOM 16904 H1 TIP3 5506 17.194 -34.676 -2.428 1.00 0.00 WT1 H ATOM 16905 H2 TIP3 5506 -10.586 -8.222 1.027 1.00 0.00 WT1 H ATOM 16906 OH2 TIP3 5507 2.586 -0.264 -2.363 1.00 0.00 WT1 O ATOM 16907 H1 TIP3 5507 3.323 3.034 -12.335 1.00 0.00 WT1 H ATOM 16908 H2 TIP3 5507 -6.464 14.764 -3.868 1.00 0.00 WT1 H ATOM 16909 OH2 TIP3 5510 4.152 -2.491 -5.759 1.00 0.00 WT1 O ATOM 16910 H1 TIP3 5510 16.168 -3.719 -1.267 1.00 0.00 WT1 H ATOM 16911 H2 TIP3 5510 -15.159 11.137 -14.119 1.00 0.00 WT1 H ATOM 16912 OH2 TIP3 5511 -2.013 -4.552 -1.323 1.00 0.00 WT1 O ATOM 16913 H1 TIP3 5511 -17.285 5.935 2.462 1.00 0.00 WT1 H ATOM 16914 H2 TIP3 5511 9.313 -13.239 5.798 1.00 0.00 WT1 H ATOM 16915 OH2 TIP3 5512 -3.225 5.014 -3.997 1.00 0.00 WT1 O ATOM 16916 H1 TIP3 5512 15.092 -5.214 -4.450 1.00 0.00 WT1 H ATOM 16917 H2 TIP3 5512 42.719 -5.708 -2.838 1.00 0.00 WT1 H ATOM 16918 OH2 TIP3 5513 -5.843 1.934 -0.506 1.00 0.00 WT1 O ATOM 16919 H1 TIP3 5513 -0.712 -1.847 1.918 1.00 0.00 WT1 H ATOM 16920 H2 TIP3 5513 -10.302 -0.726 2.026 1.00 0.00 WT1 H ATOM 16921 OH2 TIP3 5515 -3.501 4.324 0.192 1.00 0.00 WT1 O ATOM 16922 H1 TIP3 5515 2.423 6.106 7.569 1.00 0.00 WT1 H ATOM 16923 H2 TIP3 5515 2.172 20.336 -4.171 1.00 0.00 WT1 H ATOM 16924 OH2 TIP3 5516 -0.026 3.582 3.410 1.00 0.00 WT1 O ATOM 16925 H1 TIP3 5516 24.387 26.917 14.164 1.00 0.00 WT1 H ATOM 16926 H2 TIP3 5516 -11.471 10.728 8.459 1.00 0.00 WT1 H ATOM 16927 OH2 TIP3 5517 5.790 1.279 -4.830 1.00 0.00 WT1 O ATOM 16928 H1 TIP3 5517 1.473 15.836 8.949 1.00 0.00 WT1 H ATOM 16929 H2 TIP3 5517 10.158 13.214 -7.985 1.00 0.00 WT1 H ATOM 16930 OH2 TIP3 5519 -6.348 0.908 0.706 1.00 0.00 WT1 O ATOM 16931 H1 TIP3 5519 -27.869 -14.058 -14.692 1.00 0.00 WT1 H ATOM 16932 H2 TIP3 5519 12.183 -4.565 -3.583 1.00 0.00 WT1 H ATOM 16933 OH2 TIP3 5521 -1.689 5.187 -5.080 1.00 0.00 WT1 O ATOM 16934 H1 TIP3 5521 -20.242 1.895 15.014 1.00 0.00 WT1 H ATOM 16935 H2 TIP3 5521 5.215 5.153 -18.491 1.00 0.00 WT1 H ATOM 16936 OH2 TIP3 5522 3.699 6.734 0.835 1.00 0.00 WT1 O ATOM 16937 H1 TIP3 5522 -15.071 -7.360 18.353 1.00 0.00 WT1 H ATOM 16938 H2 TIP3 5522 -11.970 6.738 -1.535 1.00 0.00 WT1 H ATOM 16939 OH2 TIP3 5523 1.875 -5.999 3.247 1.00 0.00 WT1 O ATOM 16940 H1 TIP3 5523 6.815 -35.140 13.433 1.00 0.00 WT1 H ATOM 16941 H2 TIP3 5523 -10.481 -21.277 -26.106 1.00 0.00 WT1 H ATOM 16942 OH2 TIP3 5524 -2.558 -3.147 -4.618 1.00 0.00 WT1 O ATOM 16943 H1 TIP3 5524 -8.767 -4.106 -22.483 1.00 0.00 WT1 H ATOM 16944 H2 TIP3 5524 14.242 -2.716 9.627 1.00 0.00 WT1 H ATOM 16945 OH2 TIP3 5525 1.545 0.851 3.145 1.00 0.00 WT1 O ATOM 16946 H1 TIP3 5525 -1.904 1.025 3.622 1.00 0.00 WT1 H ATOM 16947 H2 TIP3 5525 2.584 -24.956 28.035 1.00 0.00 WT1 H ATOM 16948 OH2 TIP3 5526 -6.011 3.110 -2.869 1.00 0.00 WT1 O ATOM 16949 H1 TIP3 5526 -3.698 22.177 -1.671 1.00 0.00 WT1 H ATOM 16950 H2 TIP3 5526 2.212 -10.145 -0.140 1.00 0.00 WT1 H ATOM 16951 OH2 TIP3 5527 -3.637 -4.617 -1.034 1.00 0.00 WT1 O ATOM 16952 H1 TIP3 5527 9.114 17.282 -18.653 1.00 0.00 WT1 H ATOM 16953 H2 TIP3 5527 19.305 -1.005 9.436 1.00 0.00 WT1 H ATOM 16954 OH2 TIP3 5528 -0.619 2.673 -2.991 1.00 0.00 WT1 O ATOM 16955 H1 TIP3 5528 -10.823 5.772 16.238 1.00 0.00 WT1 H ATOM 16956 H2 TIP3 5528 -0.936 5.481 21.205 1.00 0.00 WT1 H ATOM 16957 OH2 TIP3 5529 -6.721 0.815 8.247 1.00 0.00 WT1 O ATOM 16958 H1 TIP3 5529 -12.403 7.133 24.870 1.00 0.00 WT1 H ATOM 16959 H2 TIP3 5529 -16.440 -3.636 9.367 1.00 0.00 WT1 H ATOM 16960 OH2 TIP3 5530 3.340 -3.614 -3.927 1.00 0.00 WT1 O ATOM 16961 H1 TIP3 5530 4.784 8.793 -10.371 1.00 0.00 WT1 H ATOM 16962 H2 TIP3 5530 10.979 18.557 -18.651 1.00 0.00 WT1 H ATOM 16963 OH2 TIP3 5531 -2.938 1.947 3.493 1.00 0.00 WT1 O ATOM 16964 H1 TIP3 5531 -1.029 4.634 -16.137 1.00 0.00 WT1 H ATOM 16965 H2 TIP3 5531 -10.388 -11.391 2.032 1.00 0.00 WT1 H ATOM 16966 OH2 TIP3 5532 1.537 -6.048 4.689 1.00 0.00 WT1 O ATOM 16967 H1 TIP3 5532 -11.956 10.817 1.234 1.00 0.00 WT1 H ATOM 16968 H2 TIP3 5532 -3.345 -6.747 9.173 1.00 0.00 WT1 H ATOM 16969 OH2 TIP3 5533 -5.174 -8.717 10.831 1.00 0.00 WT1 O ATOM 16970 H1 TIP3 5533 -13.876 -17.681 -2.101 1.00 0.00 WT1 H ATOM 16971 H2 TIP3 5533 -5.440 -6.908 23.886 1.00 0.00 WT1 H ATOM 16972 OH2 TIP3 5534 0.782 -8.215 -0.203 1.00 0.00 WT1 O ATOM 16973 H1 TIP3 5534 -2.057 7.766 10.331 1.00 0.00 WT1 H ATOM 16974 H2 TIP3 5534 -11.324 7.363 18.959 1.00 0.00 WT1 H ATOM 16975 OH2 TIP3 5535 -1.855 8.135 4.105 1.00 0.00 WT1 O ATOM 16976 H1 TIP3 5535 23.765 23.711 7.121 1.00 0.00 WT1 H ATOM 16977 H2 TIP3 5535 -0.207 4.145 7.294 1.00 0.00 WT1 H ATOM 16978 OH2 TIP3 5536 2.804 4.116 1.635 1.00 0.00 WT1 O ATOM 16979 H1 TIP3 5536 1.397 3.607 5.694 1.00 0.00 WT1 H ATOM 16980 H2 TIP3 5536 -0.189 4.575 3.492 1.00 0.00 WT1 H ATOM 16981 OH2 TIP3 5538 0.594 -6.410 -0.643 1.00 0.00 WT1 O ATOM 16982 H1 TIP3 5538 -1.224 -4.853 -9.051 1.00 0.00 WT1 H ATOM 16983 H2 TIP3 5538 3.665 -13.730 0.059 1.00 0.00 WT1 H ATOM 16984 OH2 TIP3 5543 -4.792 -4.080 3.192 1.00 0.00 WT1 O ATOM 16985 H1 TIP3 5543 -2.772 7.192 2.508 1.00 0.00 WT1 H ATOM 16986 H2 TIP3 5543 -20.084 7.168 -0.452 1.00 0.00 WT1 H ATOM 16987 OH2 TIP3 5544 4.442 8.572 5.212 1.00 0.00 WT1 O ATOM 16988 H1 TIP3 5544 7.416 -0.534 24.294 1.00 0.00 WT1 H ATOM 16989 H2 TIP3 5544 17.539 -2.529 23.230 1.00 0.00 WT1 H ATOM 16990 OH2 TIP3 5545 1.787 0.697 -4.937 1.00 0.00 WT1 O ATOM 16991 H1 TIP3 5545 17.739 -5.981 3.403 1.00 0.00 WT1 H ATOM 16992 H2 TIP3 5545 4.685 18.667 -8.715 1.00 0.00 WT1 H ATOM 16993 OH2 TIP3 5547 1.136 0.809 0.619 1.00 0.00 WT1 O ATOM 16994 H1 TIP3 5547 6.692 15.012 -16.261 1.00 0.00 WT1 H ATOM 16995 H2 TIP3 5547 5.538 -7.400 9.985 1.00 0.00 WT1 H ATOM 16996 OH2 TIP3 5548 -5.069 -4.341 -2.052 1.00 0.00 WT1 O ATOM 16997 H1 TIP3 5548 -3.230 -12.776 -8.582 1.00 0.00 WT1 H ATOM 16998 H2 TIP3 5548 -7.584 12.175 4.468 1.00 0.00 WT1 H ATOM 16999 OH2 TIP3 5549 0.285 -3.485 -3.666 1.00 0.00 WT1 O ATOM 17000 H1 TIP3 5549 -0.531 -3.866 -13.903 1.00 0.00 WT1 H ATOM 17001 H2 TIP3 5549 -1.050 -3.403 -0.481 1.00 0.00 WT1 H ATOM 17002 OH2 TIP3 5550 2.101 -5.347 -0.941 1.00 0.00 WT1 O ATOM 17003 H1 TIP3 5550 15.899 -12.719 0.955 1.00 0.00 WT1 H ATOM 17004 H2 TIP3 5550 -15.615 3.824 -7.336 1.00 0.00 WT1 H ATOM 17005 OH2 TIP3 5551 -2.923 -3.430 -3.065 1.00 0.00 WT1 O ATOM 17006 H1 TIP3 5551 -12.633 -2.042 -17.877 1.00 0.00 WT1 H ATOM 17007 H2 TIP3 5551 5.803 -19.049 31.491 1.00 0.00 WT1 H ATOM 17008 OH2 TIP3 5552 -2.716 -10.035 1.426 1.00 0.00 WT1 O ATOM 17009 H1 TIP3 5552 -5.925 -14.656 8.159 1.00 0.00 WT1 H ATOM 17010 H2 TIP3 5552 -11.583 -15.902 -1.751 1.00 0.00 WT1 H ATOM 17011 OH2 TIP3 5553 -4.750 4.682 -6.597 1.00 0.00 WT1 O ATOM 17012 H1 TIP3 5553 -3.927 -0.162 -10.272 1.00 0.00 WT1 H ATOM 17013 H2 TIP3 5553 -6.564 4.557 -6.511 1.00 0.00 WT1 H ATOM 17014 OH2 TIP3 5554 -5.180 -0.521 -7.166 1.00 0.00 WT1 O ATOM 17015 H1 TIP3 5554 -1.958 9.910 -9.241 1.00 0.00 WT1 H ATOM 17016 H2 TIP3 5554 -0.475 11.245 -8.380 1.00 0.00 WT1 H ATOM 17017 OH2 TIP3 5555 2.843 -2.230 2.382 1.00 0.00 WT1 O ATOM 17018 H1 TIP3 5555 9.664 17.048 -9.346 1.00 0.00 WT1 H ATOM 17019 H2 TIP3 5555 -20.992 10.238 14.063 1.00 0.00 WT1 H ATOM 17020 OH2 TIP3 5556 -5.022 -1.456 -5.160 1.00 0.00 WT1 O ATOM 17021 H1 TIP3 5556 -18.206 -4.673 -16.794 1.00 0.00 WT1 H ATOM 17022 H2 TIP3 5556 -0.895 6.995 26.968 1.00 0.00 WT1 H ATOM 17023 OH2 TIP3 5558 1.908 -0.144 5.377 1.00 0.00 WT1 O ATOM 17024 H1 TIP3 5558 15.413 -9.364 19.788 1.00 0.00 WT1 H ATOM 17025 H2 TIP3 5558 -5.970 19.855 15.533 1.00 0.00 WT1 H ATOM 17026 OH2 TIP3 5559 -2.976 7.958 -1.485 1.00 0.00 WT1 O ATOM 17027 H1 TIP3 5559 -5.520 15.382 -3.796 1.00 0.00 WT1 H ATOM 17028 H2 TIP3 5559 2.260 6.533 -6.409 1.00 0.00 WT1 H ATOM 17029 OH2 TIP3 5561 -1.973 0.170 0.005 1.00 0.00 WT1 O ATOM 17030 H1 TIP3 5561 -1.274 7.482 7.258 1.00 0.00 WT1 H ATOM 17031 H2 TIP3 5561 -3.912 -6.812 -9.610 1.00 0.00 WT1 H ATOM 17032 OH2 TIP3 5563 0.764 -3.008 11.105 1.00 0.00 WT1 O ATOM 17033 H1 TIP3 5563 16.197 1.097 24.211 1.00 0.00 WT1 H ATOM 17034 H2 TIP3 5563 2.861 -20.545 14.971 1.00 0.00 WT1 H ATOM 17035 OH2 TIP3 5564 5.864 3.190 -11.711 1.00 0.00 WT1 O ATOM 17036 H1 TIP3 5564 1.213 1.619 -4.009 1.00 0.00 WT1 H ATOM 17037 H2 TIP3 5564 3.567 7.705 -15.401 1.00 0.00 WT1 H ATOM 17038 OH2 TIP3 5565 -4.509 -3.227 -1.983 1.00 0.00 WT1 O ATOM 17039 H1 TIP3 5565 10.027 -0.615 2.421 1.00 0.00 WT1 H ATOM 17040 H2 TIP3 5565 -8.240 -8.944 -7.485 1.00 0.00 WT1 H ATOM 17041 OH2 TIP3 5566 2.059 1.553 -2.054 1.00 0.00 WT1 O ATOM 17042 H1 TIP3 5566 -17.473 -15.916 -3.804 1.00 0.00 WT1 H ATOM 17043 H2 TIP3 5566 0.301 15.239 -10.660 1.00 0.00 WT1 H ATOM 17044 OH2 TIP3 5567 2.552 -1.504 7.677 1.00 0.00 WT1 O ATOM 17045 H1 TIP3 5567 10.549 5.275 -2.541 1.00 0.00 WT1 H ATOM 17046 H2 TIP3 5567 -13.320 -5.704 7.566 1.00 0.00 WT1 H ATOM 17047 OH2 TIP3 5568 -1.996 -2.195 0.600 1.00 0.00 WT1 O ATOM 17048 H1 TIP3 5568 -1.988 -0.752 -0.012 1.00 0.00 WT1 H ATOM 17049 H2 TIP3 5568 -0.443 -1.540 0.534 1.00 0.00 WT1 H ATOM 17050 OH2 TIP3 5569 -5.905 0.204 -3.544 1.00 0.00 WT1 O ATOM 17051 H1 TIP3 5569 23.401 2.716 0.807 1.00 0.00 WT1 H ATOM 17052 H2 TIP3 5569 22.478 14.925 -2.686 1.00 0.00 WT1 H ATOM 17053 OH2 TIP3 5570 -0.318 -5.499 0.998 1.00 0.00 WT1 O ATOM 17054 H1 TIP3 5570 9.781 -6.431 -2.744 1.00 0.00 WT1 H ATOM 17055 H2 TIP3 5570 -3.758 -1.939 1.326 1.00 0.00 WT1 H ATOM 17056 OH2 TIP3 5571 -0.982 -0.480 2.075 1.00 0.00 WT1 O ATOM 17057 H1 TIP3 5571 -14.458 6.729 18.626 1.00 0.00 WT1 H ATOM 17058 H2 TIP3 5571 -12.060 -12.382 -4.268 1.00 0.00 WT1 H ATOM 17059 OH2 TIP3 5572 -3.698 4.884 2.287 1.00 0.00 WT1 O ATOM 17060 H1 TIP3 5572 -9.995 0.165 -1.141 1.00 0.00 WT1 H ATOM 17061 H2 TIP3 5572 6.462 2.819 8.305 1.00 0.00 WT1 H ATOM 17062 OH2 TIP3 5573 2.772 -0.163 7.951 1.00 0.00 WT1 O ATOM 17063 H1 TIP3 5573 4.722 -4.731 -1.386 1.00 0.00 WT1 H ATOM 17064 H2 TIP3 5573 -10.590 -24.323 9.951 1.00 0.00 WT1 H ATOM 17065 OH2 TIP3 5575 5.784 -1.411 3.450 1.00 0.00 WT1 O ATOM 17066 H1 TIP3 5575 3.138 -10.314 24.874 1.00 0.00 WT1 H ATOM 17067 H2 TIP3 5575 2.978 -5.382 -6.973 1.00 0.00 WT1 H ATOM 17068 OH2 TIP3 5576 -1.050 2.976 1.619 1.00 0.00 WT1 O ATOM 17069 H1 TIP3 5576 22.215 -11.428 5.946 1.00 0.00 WT1 H ATOM 17070 H2 TIP3 5576 -31.758 23.241 -4.116 1.00 0.00 WT1 H ATOM 17071 OH2 TIP3 5577 0.902 0.754 5.210 1.00 0.00 WT1 O ATOM 17072 H1 TIP3 5577 19.410 8.201 -3.365 1.00 0.00 WT1 H ATOM 17073 H2 TIP3 5577 -10.304 -16.262 4.296 1.00 0.00 WT1 H ATOM 17074 OH2 TIP3 5579 0.221 -5.392 -1.428 1.00 0.00 WT1 O ATOM 17075 H1 TIP3 5579 -3.950 -5.738 12.721 1.00 0.00 WT1 H ATOM 17076 H2 TIP3 5579 0.062 -4.898 1.402 1.00 0.00 WT1 H ATOM 17077 OH2 TIP3 5581 3.182 0.009 5.759 1.00 0.00 WT1 O ATOM 17078 H1 TIP3 5581 16.398 28.490 5.644 1.00 0.00 WT1 H ATOM 17079 H2 TIP3 5581 -25.155 -3.551 -2.265 1.00 0.00 WT1 H ATOM 17080 OH2 TIP3 5584 -3.369 0.545 5.485 1.00 0.00 WT1 O ATOM 17081 H1 TIP3 5584 -6.495 -0.911 23.171 1.00 0.00 WT1 H ATOM 17082 H2 TIP3 5584 -4.990 1.654 -6.658 1.00 0.00 WT1 H ATOM 17083 OH2 TIP3 5585 -4.852 1.179 8.328 1.00 0.00 WT1 O ATOM 17084 H1 TIP3 5585 9.119 5.558 11.666 1.00 0.00 WT1 H ATOM 17085 H2 TIP3 5585 -11.990 9.836 1.207 1.00 0.00 WT1 H ATOM 17086 OH2 TIP3 5587 5.549 0.350 8.841 1.00 0.00 WT1 O ATOM 17087 H1 TIP3 5587 5.108 2.034 5.779 1.00 0.00 WT1 H ATOM 17088 H2 TIP3 5587 -7.007 4.564 28.320 1.00 0.00 WT1 H ATOM 17089 OH2 TIP3 5589 -1.468 -7.202 0.288 1.00 0.00 WT1 O ATOM 17090 H1 TIP3 5589 3.569 -10.202 2.632 1.00 0.00 WT1 H ATOM 17091 H2 TIP3 5589 -29.184 -2.947 3.608 1.00 0.00 WT1 H ATOM 17092 OH2 TIP3 5590 -1.643 2.284 1.563 1.00 0.00 WT1 O ATOM 17093 H1 TIP3 5590 15.381 3.395 -1.326 1.00 0.00 WT1 H ATOM 17094 H2 TIP3 5590 -11.512 5.853 -11.748 1.00 0.00 WT1 H ATOM 17095 OH2 TIP3 5591 3.947 -0.184 -1.695 1.00 0.00 WT1 O ATOM 17096 H1 TIP3 5591 -7.333 16.344 -17.433 1.00 0.00 WT1 H ATOM 17097 H2 TIP3 5591 18.869 7.967 19.816 1.00 0.00 WT1 H ATOM 17098 OH2 TIP3 5592 -3.832 1.897 -5.480 1.00 0.00 WT1 O ATOM 17099 H1 TIP3 5592 -1.627 -2.114 4.150 1.00 0.00 WT1 H ATOM 17100 H2 TIP3 5592 -6.498 14.733 -6.121 1.00 0.00 WT1 H ATOM 17101 OH2 TIP3 5595 -0.615 5.841 -3.458 1.00 0.00 WT1 O ATOM 17102 H1 TIP3 5595 3.268 -1.353 -8.567 1.00 0.00 WT1 H ATOM 17103 H2 TIP3 5595 -2.761 9.968 -5.080 1.00 0.00 WT1 H ATOM 17104 OH2 TIP3 5596 1.823 5.987 -3.495 1.00 0.00 WT1 O ATOM 17105 H1 TIP3 5596 -0.846 -0.701 11.343 1.00 0.00 WT1 H ATOM 17106 H2 TIP3 5596 2.064 -26.808 -0.853 1.00 0.00 WT1 H ATOM 17107 OH2 TIP3 5597 -6.220 -5.365 4.413 1.00 0.00 WT1 O ATOM 17108 H1 TIP3 5597 -3.168 -9.188 0.260 1.00 0.00 WT1 H ATOM 17109 H2 TIP3 5597 -7.508 3.575 11.256 1.00 0.00 WT1 H ATOM 17110 OH2 TIP3 5598 -4.837 -0.824 1.646 1.00 0.00 WT1 O ATOM 17111 H1 TIP3 5598 -13.184 -12.536 -4.853 1.00 0.00 WT1 H ATOM 17112 H2 TIP3 5598 -0.711 4.485 4.180 1.00 0.00 WT1 H ATOM 17113 OH2 TIP3 5605 5.287 -6.395 -1.535 1.00 0.00 WT1 O ATOM 17114 H1 TIP3 5605 3.314 -1.880 -5.517 1.00 0.00 WT1 H ATOM 17115 H2 TIP3 5605 6.813 -4.412 -3.648 1.00 0.00 WT1 H ATOM 17116 OH2 TIP3 5606 1.943 4.368 -0.208 1.00 0.00 WT1 O ATOM 17117 H1 TIP3 5606 8.157 -17.660 -6.917 1.00 0.00 WT1 H ATOM 17118 H2 TIP3 5606 3.747 4.238 20.939 1.00 0.00 WT1 H ATOM 17119 OH2 TIP3 5607 -6.386 -2.824 -9.105 1.00 0.00 WT1 O ATOM 17120 H1 TIP3 5607 -3.124 -10.490 -8.189 1.00 0.00 WT1 H ATOM 17121 H2 TIP3 5607 -5.372 -10.620 -9.887 1.00 0.00 WT1 H ATOM 17122 OH2 TIP3 5608 -2.554 -1.418 1.358 1.00 0.00 WT1 O ATOM 17123 H1 TIP3 5608 -10.803 11.165 14.159 1.00 0.00 WT1 H ATOM 17124 H2 TIP3 5608 -4.172 -0.943 1.956 1.00 0.00 WT1 H ATOM 17125 OH2 TIP3 5609 -2.248 -2.471 1.619 1.00 0.00 WT1 O ATOM 17126 H1 TIP3 5609 5.464 14.357 7.858 1.00 0.00 WT1 H ATOM 17127 H2 TIP3 5609 3.847 -20.935 15.737 1.00 0.00 WT1 H ATOM 17128 OH2 TIP3 5610 -7.488 6.709 1.321 1.00 0.00 WT1 O ATOM 17129 H1 TIP3 5610 -6.090 11.104 1.778 1.00 0.00 WT1 H ATOM 17130 H2 TIP3 5610 -9.489 2.940 1.846 1.00 0.00 WT1 H ATOM 17131 OH2 TIP3 5611 -0.504 0.795 12.794 1.00 0.00 WT1 O ATOM 17132 H1 TIP3 5611 -11.037 -27.206 -1.653 1.00 0.00 WT1 H ATOM 17133 H2 TIP3 5611 -3.993 7.997 29.426 1.00 0.00 WT1 H ATOM 17134 OH2 TIP3 5612 4.834 -5.094 -0.818 1.00 0.00 WT1 O ATOM 17135 H1 TIP3 5612 -0.615 4.527 8.549 1.00 0.00 WT1 H ATOM 17136 H2 TIP3 5612 1.420 -19.251 6.535 1.00 0.00 WT1 H ATOM 17137 OH2 TIP3 5613 -3.711 0.648 5.812 1.00 0.00 WT1 O ATOM 17138 H1 TIP3 5613 5.970 7.787 -7.327 1.00 0.00 WT1 H ATOM 17139 H2 TIP3 5613 -12.767 -2.421 19.785 1.00 0.00 WT1 H ATOM 17140 OH2 TIP3 5614 3.979 4.543 7.410 1.00 0.00 WT1 O ATOM 17141 H1 TIP3 5614 -0.078 3.665 12.014 1.00 0.00 WT1 H ATOM 17142 H2 TIP3 5614 18.432 5.725 -9.517 1.00 0.00 WT1 H ATOM 17143 OH2 TIP3 5615 0.700 -8.997 4.336 1.00 0.00 WT1 O ATOM 17144 H1 TIP3 5615 -7.498 -23.131 -7.401 1.00 0.00 WT1 H ATOM 17145 H2 TIP3 5615 4.483 0.427 8.957 1.00 0.00 WT1 H ATOM 17146 OH2 TIP3 5616 1.186 -0.487 -3.071 1.00 0.00 WT1 O ATOM 17147 H1 TIP3 5616 12.153 19.276 2.374 1.00 0.00 WT1 H ATOM 17148 H2 TIP3 5616 7.377 19.739 -18.486 1.00 0.00 WT1 H ATOM 17149 OH2 TIP3 5618 -7.545 2.828 -3.002 1.00 0.00 WT1 O ATOM 17150 H1 TIP3 5618 9.974 11.874 -5.879 1.00 0.00 WT1 H ATOM 17151 H2 TIP3 5618 -1.421 -12.961 -13.170 1.00 0.00 WT1 H ATOM 17152 OH2 TIP3 5626 -6.524 -3.015 4.856 1.00 0.00 WT1 O ATOM 17153 H1 TIP3 5626 5.781 -8.759 24.255 1.00 0.00 WT1 H ATOM 17154 H2 TIP3 5626 -13.326 0.543 -5.804 1.00 0.00 WT1 H ATOM 17155 OH2 TIP3 5630 0.317 -0.141 -3.498 1.00 0.00 WT1 O ATOM 17156 H1 TIP3 5630 12.589 -9.967 7.305 1.00 0.00 WT1 H ATOM 17157 H2 TIP3 5630 10.249 -8.509 -6.661 1.00 0.00 WT1 H ATOM 17158 OH2 TIP3 5631 -0.773 -0.452 -0.871 1.00 0.00 WT1 O ATOM 17159 H1 TIP3 5631 -10.518 -15.533 -0.360 1.00 0.00 WT1 H ATOM 17160 H2 TIP3 5631 10.963 5.384 -9.907 1.00 0.00 WT1 H ATOM 17161 OH2 TIP3 5632 -4.705 1.704 -1.238 1.00 0.00 WT1 O ATOM 17162 H1 TIP3 5632 -1.707 -2.122 5.476 1.00 0.00 WT1 H ATOM 17163 H2 TIP3 5632 -7.137 8.446 -13.179 1.00 0.00 WT1 H ATOM 17164 OH2 TIP3 5633 -4.134 1.068 -0.373 1.00 0.00 WT1 O ATOM 17165 H1 TIP3 5633 1.552 10.966 19.474 1.00 0.00 WT1 H ATOM 17166 H2 TIP3 5633 -15.585 -9.303 16.194 1.00 0.00 WT1 H ATOM 17167 OH2 TIP3 5636 2.699 0.731 -0.989 1.00 0.00 WT1 O ATOM 17168 H1 TIP3 5636 -8.783 10.902 -10.612 1.00 0.00 WT1 H ATOM 17169 H2 TIP3 5636 5.402 -8.155 7.520 1.00 0.00 WT1 H ATOM 17170 OH2 TIP3 5637 5.533 -2.107 -2.493 1.00 0.00 WT1 O ATOM 17171 H1 TIP3 5637 0.064 -10.017 -1.708 1.00 0.00 WT1 H ATOM 17172 H2 TIP3 5637 13.524 -6.202 -6.409 1.00 0.00 WT1 H ATOM 17173 OH2 TIP3 5642 0.222 -3.751 -2.413 1.00 0.00 WT1 O ATOM 17174 H1 TIP3 5642 -2.170 -8.763 -17.395 1.00 0.00 WT1 H ATOM 17175 H2 TIP3 5642 3.055 2.247 13.673 1.00 0.00 WT1 H ATOM 17176 OH2 TIP3 5647 -0.986 3.507 0.900 1.00 0.00 WT1 O ATOM 17177 H1 TIP3 5647 2.036 18.338 -3.010 1.00 0.00 WT1 H ATOM 17178 H2 TIP3 5647 1.280 -16.106 20.787 1.00 0.00 WT1 H ATOM 17179 OH2 TIP3 5648 -0.474 -0.880 3.689 1.00 0.00 WT1 O ATOM 17180 H1 TIP3 5648 11.863 -20.076 2.200 1.00 0.00 WT1 H ATOM 17181 H2 TIP3 5648 15.571 16.104 2.357 1.00 0.00 WT1 H ATOM 17182 OH2 TIP3 5649 -0.372 -0.401 -3.535 1.00 0.00 WT1 O ATOM 17183 H1 TIP3 5649 3.238 2.097 27.011 1.00 0.00 WT1 H ATOM 17184 H2 TIP3 5649 3.308 9.843 -16.303 1.00 0.00 WT1 H ATOM 17185 OH2 TIP3 5650 4.337 0.058 3.880 1.00 0.00 WT1 O ATOM 17186 H1 TIP3 5650 3.176 6.184 -5.001 1.00 0.00 WT1 H ATOM 17187 H2 TIP3 5650 2.572 -10.563 0.569 1.00 0.00 WT1 H ATOM 17188 OH2 TIP3 5651 -2.462 5.006 3.535 1.00 0.00 WT1 O ATOM 17189 H1 TIP3 5651 16.077 7.322 0.926 1.00 0.00 WT1 H ATOM 17190 H2 TIP3 5651 9.112 -9.602 4.508 1.00 0.00 WT1 H ATOM 17191 OH2 TIP3 5653 1.623 -0.544 -0.515 1.00 0.00 WT1 O ATOM 17192 H1 TIP3 5653 5.355 -12.827 -11.349 1.00 0.00 WT1 H ATOM 17193 H2 TIP3 5653 -13.513 14.317 9.921 1.00 0.00 WT1 H ATOM 17194 OH2 TIP3 5654 -1.483 -2.630 -7.861 1.00 0.00 WT1 O ATOM 17195 H1 TIP3 5654 6.273 -14.447 -12.857 1.00 0.00 WT1 H ATOM 17196 H2 TIP3 5654 -0.502 7.796 1.170 1.00 0.00 WT1 H ATOM 17197 OH2 TIP3 5655 6.598 9.782 -1.996 1.00 0.00 WT1 O ATOM 17198 H1 TIP3 5655 13.768 -20.001 -8.958 1.00 0.00 WT1 H ATOM 17199 H2 TIP3 5655 -1.387 15.631 5.791 1.00 0.00 WT1 H ATOM 17200 OH2 TIP3 5656 -5.387 -2.004 -3.778 1.00 0.00 WT1 O ATOM 17201 H1 TIP3 5656 -7.421 4.736 6.382 1.00 0.00 WT1 H ATOM 17202 H2 TIP3 5656 -14.058 0.667 -8.611 1.00 0.00 WT1 H ATOM 17203 OH2 TIP3 5657 -0.633 -1.683 -0.281 1.00 0.00 WT1 O ATOM 17204 H1 TIP3 5657 0.364 9.609 2.829 1.00 0.00 WT1 H ATOM 17205 H2 TIP3 5657 -2.621 -11.914 -3.340 1.00 0.00 WT1 H ATOM 17206 OH2 TIP3 5658 2.815 3.025 2.880 1.00 0.00 WT1 O ATOM 17207 H1 TIP3 5658 12.423 -2.587 -6.511 1.00 0.00 WT1 H ATOM 17208 H2 TIP3 5658 0.413 -2.376 -0.755 1.00 0.00 WT1 H ATOM 17209 OH2 TIP3 5663 9.096 -2.419 0.523 1.00 0.00 WT1 O ATOM 17210 H1 TIP3 5663 3.649 2.867 -0.414 1.00 0.00 WT1 H ATOM 17211 H2 TIP3 5663 4.787 7.188 6.766 1.00 0.00 WT1 H ATOM 17212 OH2 TIP3 5664 -1.892 1.282 -1.328 1.00 0.00 WT1 O ATOM 17213 H1 TIP3 5664 -7.778 6.798 -5.911 1.00 0.00 WT1 H ATOM 17214 H2 TIP3 5664 0.863 9.018 7.599 1.00 0.00 WT1 H ATOM 17215 OH2 TIP3 5668 1.313 -9.083 -3.083 1.00 0.00 WT1 O ATOM 17216 H1 TIP3 5668 -0.959 -8.857 9.589 1.00 0.00 WT1 H ATOM 17217 H2 TIP3 5668 4.923 -15.560 -1.916 1.00 0.00 WT1 H ATOM 17218 OH2 TIP3 5669 4.718 -3.860 1.684 1.00 0.00 WT1 O ATOM 17219 H1 TIP3 5669 11.266 13.490 -23.608 1.00 0.00 WT1 H ATOM 17220 H2 TIP3 5669 10.063 10.955 -19.424 1.00 0.00 WT1 H ATOM 17221 OH2 TIP3 5670 -1.789 -1.418 1.989 1.00 0.00 WT1 O ATOM 17222 H1 TIP3 5670 -19.869 -9.466 -9.802 1.00 0.00 WT1 H ATOM 17223 H2 TIP3 5670 -0.585 -9.332 10.762 1.00 0.00 WT1 H ATOM 17224 OH2 TIP3 5671 2.962 0.397 -1.185 1.00 0.00 WT1 O ATOM 17225 H1 TIP3 5671 15.923 3.238 -12.905 1.00 0.00 WT1 H ATOM 17226 H2 TIP3 5671 -39.456 -10.966 9.189 1.00 0.00 WT1 H ATOM 17227 OH2 TIP3 5673 1.990 -2.861 -3.839 1.00 0.00 WT1 O ATOM 17228 H1 TIP3 5673 11.209 23.698 -0.530 1.00 0.00 WT1 H ATOM 17229 H2 TIP3 5673 5.300 -15.614 -0.814 1.00 0.00 WT1 H ATOM 17230 OH2 TIP3 5674 -0.572 1.625 -4.574 1.00 0.00 WT1 O ATOM 17231 H1 TIP3 5674 3.889 10.559 0.640 1.00 0.00 WT1 H ATOM 17232 H2 TIP3 5674 4.388 11.878 8.773 1.00 0.00 WT1 H ATOM 17233 OH2 TIP3 5675 4.853 -0.004 12.161 1.00 0.00 WT1 O ATOM 17234 H1 TIP3 5675 19.025 9.234 15.163 1.00 0.00 WT1 H ATOM 17235 H2 TIP3 5675 -0.468 5.447 11.469 1.00 0.00 WT1 H ATOM 17236 OH2 TIP3 5676 -0.060 2.680 -0.847 1.00 0.00 WT1 O ATOM 17237 H1 TIP3 5676 -6.758 -2.521 1.185 1.00 0.00 WT1 H ATOM 17238 H2 TIP3 5676 5.665 -3.199 -1.271 1.00 0.00 WT1 H ATOM 17239 OH2 TIP3 5678 1.322 4.275 -7.619 1.00 0.00 WT1 O ATOM 17240 H1 TIP3 5678 -9.085 13.706 -9.892 1.00 0.00 WT1 H ATOM 17241 H2 TIP3 5678 -5.629 5.777 -5.732 1.00 0.00 WT1 H ATOM 17242 OH2 TIP3 5679 0.432 2.016 1.774 1.00 0.00 WT1 O ATOM 17243 H1 TIP3 5679 -4.365 -4.134 16.615 1.00 0.00 WT1 H ATOM 17244 H2 TIP3 5679 19.858 1.004 4.239 1.00 0.00 WT1 H ATOM 17245 OH2 TIP3 5682 5.345 -0.090 1.126 1.00 0.00 WT1 O ATOM 17246 H1 TIP3 5682 -22.632 0.571 -0.752 1.00 0.00 WT1 H ATOM 17247 H2 TIP3 5682 6.766 0.886 -0.167 1.00 0.00 WT1 H ATOM 17248 OH2 TIP3 5683 0.410 -2.721 -4.015 1.00 0.00 WT1 O ATOM 17249 H1 TIP3 5683 -15.573 -12.372 -15.368 1.00 0.00 WT1 H ATOM 17250 H2 TIP3 5683 0.599 -7.288 -5.442 1.00 0.00 WT1 H ATOM 17251 OH2 TIP3 5687 4.363 -0.344 -1.616 1.00 0.00 WT1 O ATOM 17252 H1 TIP3 5687 7.139 7.249 -1.278 1.00 0.00 WT1 H ATOM 17253 H2 TIP3 5687 10.377 -4.556 0.057 1.00 0.00 WT1 H ATOM 17254 OH2 TIP3 5690 -0.829 -1.738 -0.825 1.00 0.00 WT1 O ATOM 17255 H1 TIP3 5690 6.137 21.471 -4.946 1.00 0.00 WT1 H ATOM 17256 H2 TIP3 5690 -13.765 -11.084 9.406 1.00 0.00 WT1 H ATOM 17257 OH2 TIP3 5691 5.370 -0.198 2.489 1.00 0.00 WT1 O ATOM 17258 H1 TIP3 5691 3.583 -0.289 -0.153 1.00 0.00 WT1 H ATOM 17259 H2 TIP3 5691 10.482 -0.032 8.144 1.00 0.00 WT1 H ATOM 17260 OH2 TIP3 5692 7.036 -0.862 2.539 1.00 0.00 WT1 O ATOM 17261 H1 TIP3 5692 -5.597 2.564 0.349 1.00 0.00 WT1 H ATOM 17262 H2 TIP3 5692 13.301 0.890 16.208 1.00 0.00 WT1 H ATOM 17263 OH2 TIP3 5694 -1.002 0.316 -4.749 1.00 0.00 WT1 O ATOM 17264 H1 TIP3 5694 -6.500 0.603 -10.173 1.00 0.00 WT1 H ATOM 17265 H2 TIP3 5694 -0.977 11.987 -18.270 1.00 0.00 WT1 H ATOM 17266 OH2 TIP3 5695 0.772 0.060 -4.644 1.00 0.00 WT1 O ATOM 17267 H1 TIP3 5695 20.313 -25.289 -9.319 1.00 0.00 WT1 H ATOM 17268 H2 TIP3 5695 27.883 -4.587 -11.551 1.00 0.00 WT1 H ATOM 17269 OH2 TIP3 5697 2.229 5.959 -0.965 1.00 0.00 WT1 O ATOM 17270 H1 TIP3 5697 -3.642 19.037 16.458 1.00 0.00 WT1 H ATOM 17271 H2 TIP3 5697 -1.374 25.180 -3.860 1.00 0.00 WT1 H ATOM 17272 OH2 TIP3 5698 8.843 2.741 0.813 1.00 0.00 WT1 O ATOM 17273 H1 TIP3 5698 4.738 17.769 -3.688 1.00 0.00 WT1 H ATOM 17274 H2 TIP3 5698 4.817 -16.114 -2.526 1.00 0.00 WT1 H ATOM 17275 OH2 TIP3 5700 -2.529 3.161 1.553 1.00 0.00 WT1 O ATOM 17276 H1 TIP3 5700 1.614 -0.740 -3.228 1.00 0.00 WT1 H ATOM 17277 H2 TIP3 5700 5.943 6.332 -13.247 1.00 0.00 WT1 H ATOM 17278 OH2 TIP3 5701 3.097 4.927 -1.542 1.00 0.00 WT1 O ATOM 17279 H1 TIP3 5701 -2.156 22.266 5.323 1.00 0.00 WT1 H ATOM 17280 H2 TIP3 5701 -3.171 1.758 -9.025 1.00 0.00 WT1 H ATOM 17281 OH2 TIP3 5702 2.804 -0.057 2.451 1.00 0.00 WT1 O ATOM 17282 H1 TIP3 5702 -8.874 5.606 1.360 1.00 0.00 WT1 H ATOM 17283 H2 TIP3 5702 1.078 -2.288 5.492 1.00 0.00 WT1 H ATOM 17284 OH2 TIP3 5704 4.751 -1.772 1.838 1.00 0.00 WT1 O ATOM 17285 H1 TIP3 5704 -4.320 -12.137 -9.769 1.00 0.00 WT1 H ATOM 17286 H2 TIP3 5704 5.604 16.169 0.886 1.00 0.00 WT1 H ATOM 17287 OH2 TIP3 5705 -0.996 -3.854 0.942 1.00 0.00 WT1 O ATOM 17288 H1 TIP3 5705 -14.428 -3.357 -5.639 1.00 0.00 WT1 H ATOM 17289 H2 TIP3 5705 8.492 -3.435 5.778 1.00 0.00 WT1 H ATOM 17290 OH2 TIP3 5706 2.911 0.996 5.148 1.00 0.00 WT1 O ATOM 17291 H1 TIP3 5706 5.435 -8.333 -0.890 1.00 0.00 WT1 H ATOM 17292 H2 TIP3 5706 0.374 9.155 11.123 1.00 0.00 WT1 H ATOM 17293 OH2 TIP3 5709 6.450 -1.481 7.541 1.00 0.00 WT1 O ATOM 17294 H1 TIP3 5709 5.631 -11.258 6.669 1.00 0.00 WT1 H ATOM 17295 H2 TIP3 5709 4.866 0.088 16.061 1.00 0.00 WT1 H ATOM 17296 OH2 TIP3 5710 -0.143 -1.828 1.613 1.00 0.00 WT1 O ATOM 17297 H1 TIP3 5710 -4.026 -13.178 -20.409 1.00 0.00 WT1 H ATOM 17298 H2 TIP3 5710 -5.547 2.783 -2.281 1.00 0.00 WT1 H ATOM 17299 OH2 TIP3 5711 -1.326 -1.363 1.537 1.00 0.00 WT1 O ATOM 17300 H1 TIP3 5711 -4.319 5.759 25.405 1.00 0.00 WT1 H ATOM 17301 H2 TIP3 5711 4.075 8.005 15.694 1.00 0.00 WT1 H ATOM 17302 OH2 TIP3 5713 -0.005 -1.842 7.644 1.00 0.00 WT1 O ATOM 17303 H1 TIP3 5713 25.230 1.985 6.222 1.00 0.00 WT1 H ATOM 17304 H2 TIP3 5713 -13.819 5.799 6.917 1.00 0.00 WT1 H ATOM 17305 OH2 TIP3 5714 -2.520 -3.630 -4.243 1.00 0.00 WT1 O ATOM 17306 H1 TIP3 5714 -7.652 9.306 -20.158 1.00 0.00 WT1 H ATOM 17307 H2 TIP3 5714 -5.945 -0.285 -9.988 1.00 0.00 WT1 H ATOM 17308 OH2 TIP3 5716 1.041 -3.820 2.701 1.00 0.00 WT1 O ATOM 17309 H1 TIP3 5716 -5.674 1.842 12.723 1.00 0.00 WT1 H ATOM 17310 H2 TIP3 5716 -7.873 -10.801 3.315 1.00 0.00 WT1 H ATOM 17311 OH2 TIP3 5717 3.711 0.790 -4.387 1.00 0.00 WT1 O ATOM 17312 H1 TIP3 5717 9.940 10.371 -6.281 1.00 0.00 WT1 H ATOM 17313 H2 TIP3 5717 -3.381 -6.773 -16.914 1.00 0.00 WT1 H ATOM 17314 OH2 TIP3 5718 -5.557 1.778 -0.802 1.00 0.00 WT1 O ATOM 17315 H1 TIP3 5718 -15.245 -16.804 2.339 1.00 0.00 WT1 H ATOM 17316 H2 TIP3 5718 6.597 -1.643 2.713 1.00 0.00 WT1 H ATOM 17317 OH2 TIP3 5719 -7.095 2.290 0.207 1.00 0.00 WT1 O ATOM 17318 H1 TIP3 5719 2.508 2.016 -0.201 1.00 0.00 WT1 H ATOM 17319 H2 TIP3 5719 -32.415 -0.649 4.949 1.00 0.00 WT1 H ATOM 17320 OH2 TIP3 5720 -2.758 3.608 2.535 1.00 0.00 WT1 O ATOM 17321 H1 TIP3 5720 8.825 5.331 19.240 1.00 0.00 WT1 H ATOM 17322 H2 TIP3 5720 9.080 0.287 14.052 1.00 0.00 WT1 H ATOM 17323 OH2 TIP3 5722 -2.219 -6.544 -7.448 1.00 0.00 WT1 O ATOM 17324 H1 TIP3 5722 -3.369 1.485 -8.840 1.00 0.00 WT1 H ATOM 17325 H2 TIP3 5722 -11.314 18.642 11.629 1.00 0.00 WT1 H ATOM 17326 OH2 TIP3 5723 -3.906 -1.705 2.769 1.00 0.00 WT1 O ATOM 17327 H1 TIP3 5723 16.106 -2.581 9.871 1.00 0.00 WT1 H ATOM 17328 H2 TIP3 5723 -10.731 -3.398 -5.482 1.00 0.00 WT1 H ATOM 17329 OH2 TIP3 5726 -3.632 3.889 -5.547 1.00 0.00 WT1 O ATOM 17330 H1 TIP3 5726 -8.228 9.478 -15.419 1.00 0.00 WT1 H ATOM 17331 H2 TIP3 5726 4.640 -5.549 6.695 1.00 0.00 WT1 H ATOM 17332 OH2 TIP3 5727 -5.335 -1.801 -3.133 1.00 0.00 WT1 O ATOM 17333 H1 TIP3 5727 -3.053 8.670 -5.570 1.00 0.00 WT1 H ATOM 17334 H2 TIP3 5727 10.426 14.473 13.846 1.00 0.00 WT1 H ATOM 17335 OH2 TIP3 5728 0.200 -6.431 2.823 1.00 0.00 WT1 O ATOM 17336 H1 TIP3 5728 21.479 -22.432 1.293 1.00 0.00 WT1 H ATOM 17337 H2 TIP3 5728 16.325 10.256 3.432 1.00 0.00 WT1 H ATOM 17338 OH2 TIP3 5729 -3.500 -0.803 1.362 1.00 0.00 WT1 O ATOM 17339 H1 TIP3 5729 20.950 -11.392 4.411 1.00 0.00 WT1 H ATOM 17340 H2 TIP3 5729 10.672 -11.117 6.764 1.00 0.00 WT1 H ATOM 17341 OH2 TIP3 5730 -4.773 -1.316 -7.175 1.00 0.00 WT1 O ATOM 17342 H1 TIP3 5730 -0.464 10.070 20.229 1.00 0.00 WT1 H ATOM 17343 H2 TIP3 5730 0.919 16.896 29.149 1.00 0.00 WT1 H ATOM 17344 OH2 TIP3 5732 -11.001 -4.962 0.149 1.00 0.00 WT1 O ATOM 17345 H1 TIP3 5732 -15.551 -3.081 -1.701 1.00 0.00 WT1 H ATOM 17346 H2 TIP3 5732 -12.128 -11.682 -1.025 1.00 0.00 WT1 H ATOM 17347 OH2 TIP3 5733 1.941 0.684 0.179 1.00 0.00 WT1 O ATOM 17348 H1 TIP3 5733 -2.714 4.051 3.646 1.00 0.00 WT1 H ATOM 17349 H2 TIP3 5733 1.595 -1.094 2.580 1.00 0.00 WT1 H ATOM 17350 OH2 TIP3 5734 0.128 0.791 6.804 1.00 0.00 WT1 O ATOM 17351 H1 TIP3 5734 22.953 9.878 -18.882 1.00 0.00 WT1 H ATOM 17352 H2 TIP3 5734 8.424 4.360 1.542 1.00 0.00 WT1 H ATOM 17353 OH2 TIP3 5735 -4.646 -5.341 4.693 1.00 0.00 WT1 O ATOM 17354 H1 TIP3 5735 0.942 12.250 -4.415 1.00 0.00 WT1 H ATOM 17355 H2 TIP3 5735 -1.521 -20.541 1.291 1.00 0.00 WT1 H ATOM 17356 OH2 TIP3 5736 -0.435 -3.719 -2.185 1.00 0.00 WT1 O ATOM 17357 H1 TIP3 5736 8.655 17.129 -14.257 1.00 0.00 WT1 H ATOM 17358 H2 TIP3 5736 -19.194 -0.356 22.421 1.00 0.00 WT1 H ATOM 17359 OH2 TIP3 5737 9.774 2.191 5.951 1.00 0.00 WT1 O ATOM 17360 H1 TIP3 5737 4.489 5.114 32.019 1.00 0.00 WT1 H ATOM 17361 H2 TIP3 5737 -8.848 8.130 31.516 1.00 0.00 WT1 H ATOM 17362 OH2 TIP3 5738 0.200 4.676 3.251 1.00 0.00 WT1 O ATOM 17363 H1 TIP3 5738 -15.758 -3.019 2.865 1.00 0.00 WT1 H ATOM 17364 H2 TIP3 5738 -27.328 2.765 -8.317 1.00 0.00 WT1 H ATOM 17365 OH2 TIP3 5741 -1.417 2.306 9.138 1.00 0.00 WT1 O ATOM 17366 H1 TIP3 5741 -9.852 24.016 -1.484 1.00 0.00 WT1 H ATOM 17367 H2 TIP3 5741 -0.584 1.876 4.112 1.00 0.00 WT1 H ATOM 17368 OH2 TIP3 5742 2.719 1.503 0.575 1.00 0.00 WT1 O ATOM 17369 H1 TIP3 5742 16.124 -3.317 -7.175 1.00 0.00 WT1 H ATOM 17370 H2 TIP3 5742 -5.266 -4.376 7.737 1.00 0.00 WT1 H ATOM 17371 OH2 TIP3 5744 0.996 -2.388 -3.668 1.00 0.00 WT1 O ATOM 17372 H1 TIP3 5744 -1.254 -9.712 -3.408 1.00 0.00 WT1 H ATOM 17373 H2 TIP3 5744 13.012 -8.715 -6.270 1.00 0.00 WT1 H ATOM 17374 OH2 TIP3 5746 1.174 5.501 1.875 1.00 0.00 WT1 O ATOM 17375 H1 TIP3 5746 11.892 -1.387 29.201 1.00 0.00 WT1 H ATOM 17376 H2 TIP3 5746 8.620 9.719 4.384 1.00 0.00 WT1 H ATOM 17377 OH2 TIP3 5748 -2.577 -4.943 -0.618 1.00 0.00 WT1 O ATOM 17378 H1 TIP3 5748 -3.028 -11.799 3.361 1.00 0.00 WT1 H ATOM 17379 H2 TIP3 5748 1.126 12.716 -8.413 1.00 0.00 WT1 H ATOM 17380 OH2 TIP3 5749 2.855 -1.360 4.190 1.00 0.00 WT1 O ATOM 17381 H1 TIP3 5749 4.258 -5.854 -16.121 1.00 0.00 WT1 H ATOM 17382 H2 TIP3 5749 -13.762 -5.457 -7.318 1.00 0.00 WT1 H ATOM 17383 OH2 TIP3 5750 -6.084 3.406 -5.320 1.00 0.00 WT1 O ATOM 17384 H1 TIP3 5750 10.937 2.419 -5.565 1.00 0.00 WT1 H ATOM 17385 H2 TIP3 5750 -22.422 -10.817 1.398 1.00 0.00 WT1 H ATOM 17386 OH2 TIP3 5752 1.456 0.644 4.216 1.00 0.00 WT1 O ATOM 17387 H1 TIP3 5752 5.781 -2.204 4.370 1.00 0.00 WT1 H ATOM 17388 H2 TIP3 5752 5.932 7.805 7.379 1.00 0.00 WT1 H ATOM 17389 OH2 TIP3 5753 -0.474 6.093 -1.891 1.00 0.00 WT1 O ATOM 17390 H1 TIP3 5753 2.082 2.905 3.779 1.00 0.00 WT1 H ATOM 17391 H2 TIP3 5753 4.023 4.508 -28.875 1.00 0.00 WT1 H ATOM 17392 OH2 TIP3 5754 -1.774 1.141 -3.650 1.00 0.00 WT1 O ATOM 17393 H1 TIP3 5754 -12.033 13.609 -30.895 1.00 0.00 WT1 H ATOM 17394 H2 TIP3 5754 18.458 -22.065 -11.612 1.00 0.00 WT1 H ATOM 17395 OH2 TIP3 5755 -2.759 1.425 -0.962 1.00 0.00 WT1 O ATOM 17396 H1 TIP3 5755 15.408 6.516 5.151 1.00 0.00 WT1 H ATOM 17397 H2 TIP3 5755 7.533 6.560 3.448 1.00 0.00 WT1 H ATOM 17398 OH2 TIP3 5756 6.725 1.754 1.115 1.00 0.00 WT1 O ATOM 17399 H1 TIP3 5756 16.377 20.479 -6.754 1.00 0.00 WT1 H ATOM 17400 H2 TIP3 5756 -4.126 -23.099 -0.619 1.00 0.00 WT1 H ATOM 17401 OH2 TIP3 5757 3.508 -2.256 -2.904 1.00 0.00 WT1 O ATOM 17402 H1 TIP3 5757 9.620 -0.360 -3.726 1.00 0.00 WT1 H ATOM 17403 H2 TIP3 5757 9.251 14.331 16.383 1.00 0.00 WT1 H ATOM 17404 OH2 TIP3 5758 1.489 -3.666 2.595 1.00 0.00 WT1 O ATOM 17405 H1 TIP3 5758 1.360 -4.386 -1.520 1.00 0.00 WT1 H ATOM 17406 H2 TIP3 5758 22.985 -2.312 1.436 1.00 0.00 WT1 H ATOM 17407 OH2 TIP3 5759 1.572 4.380 -1.945 1.00 0.00 WT1 O ATOM 17408 H1 TIP3 5759 4.989 13.770 -11.563 1.00 0.00 WT1 H ATOM 17409 H2 TIP3 5759 11.243 -10.298 12.378 1.00 0.00 WT1 H ATOM 17410 OH2 TIP3 5760 -3.561 2.471 2.537 1.00 0.00 WT1 O ATOM 17411 H1 TIP3 5760 -0.323 -13.024 4.958 1.00 0.00 WT1 H ATOM 17412 H2 TIP3 5760 -5.162 -8.824 1.163 1.00 0.00 WT1 H ATOM 17413 OH2 TIP3 5761 4.980 0.795 -3.317 1.00 0.00 WT1 O ATOM 17414 H1 TIP3 5761 11.915 -9.925 -4.570 1.00 0.00 WT1 H ATOM 17415 H2 TIP3 5761 -6.568 -14.736 -0.966 1.00 0.00 WT1 H ATOM 17416 OH2 TIP3 5762 -0.412 -1.536 -3.153 1.00 0.00 WT1 O ATOM 17417 H1 TIP3 5762 7.238 3.882 -1.760 1.00 0.00 WT1 H ATOM 17418 H2 TIP3 5762 5.547 1.019 5.094 1.00 0.00 WT1 H ATOM 17419 OH2 TIP3 5763 5.770 3.171 10.836 1.00 0.00 WT1 O ATOM 17420 H1 TIP3 5763 -18.857 16.615 9.305 1.00 0.00 WT1 H ATOM 17421 H2 TIP3 5763 -13.127 0.476 -2.231 1.00 0.00 WT1 H ATOM 17422 OH2 TIP3 5764 -0.459 3.870 -0.539 1.00 0.00 WT1 O ATOM 17423 H1 TIP3 5764 3.716 -20.800 4.450 1.00 0.00 WT1 H ATOM 17424 H2 TIP3 5764 -9.128 -11.409 -8.397 1.00 0.00 WT1 H ATOM 17425 OH2 TIP3 5765 -1.513 0.275 1.089 1.00 0.00 WT1 O ATOM 17426 H1 TIP3 5765 -2.594 0.674 1.782 1.00 0.00 WT1 H ATOM 17427 H2 TIP3 5765 -2.430 1.869 -7.848 1.00 0.00 WT1 H ATOM 17428 OH2 TIP3 5767 -0.219 -0.262 6.467 1.00 0.00 WT1 O ATOM 17429 H1 TIP3 5767 -3.185 14.693 3.955 1.00 0.00 WT1 H ATOM 17430 H2 TIP3 5767 -6.624 -3.217 -3.626 1.00 0.00 WT1 H ATOM 17431 OH2 TIP3 5768 0.272 2.035 1.657 1.00 0.00 WT1 O ATOM 17432 H1 TIP3 5768 -12.583 -8.232 -4.495 1.00 0.00 WT1 H ATOM 17433 H2 TIP3 5768 3.499 6.941 1.558 1.00 0.00 WT1 H ATOM 17434 OH2 TIP3 5769 -0.095 4.648 -3.465 1.00 0.00 WT1 O ATOM 17435 H1 TIP3 5769 0.538 7.352 5.355 1.00 0.00 WT1 H ATOM 17436 H2 TIP3 5769 -0.203 4.795 -9.524 1.00 0.00 WT1 H ATOM 17437 OH2 TIP3 5772 -3.759 1.977 -1.371 1.00 0.00 WT1 O ATOM 17438 H1 TIP3 5772 11.160 -10.343 20.099 1.00 0.00 WT1 H ATOM 17439 H2 TIP3 5772 7.571 8.852 -3.270 1.00 0.00 WT1 H ATOM 17440 OH2 TIP3 5773 5.657 1.996 2.935 1.00 0.00 WT1 O ATOM 17441 H1 TIP3 5773 -6.996 9.931 -3.409 1.00 0.00 WT1 H ATOM 17442 H2 TIP3 5773 4.414 -2.869 11.633 1.00 0.00 WT1 H ATOM 17443 OH2 TIP3 5774 -4.262 -2.440 2.536 1.00 0.00 WT1 O ATOM 17444 H1 TIP3 5774 -6.611 -5.698 15.095 1.00 0.00 WT1 H ATOM 17445 H2 TIP3 5774 -10.803 -5.184 -2.223 1.00 0.00 WT1 H ATOM 17446 OH2 TIP3 5775 1.694 5.132 -0.055 1.00 0.00 WT1 O ATOM 17447 H1 TIP3 5775 -0.731 -2.559 -4.527 1.00 0.00 WT1 H ATOM 17448 H2 TIP3 5775 2.296 8.254 0.450 1.00 0.00 WT1 H ATOM 17449 OH2 TIP3 5776 5.049 2.889 5.234 1.00 0.00 WT1 O ATOM 17450 H1 TIP3 5776 20.167 -3.856 -1.253 1.00 0.00 WT1 H ATOM 17451 H2 TIP3 5776 0.543 -1.573 4.070 1.00 0.00 WT1 H ATOM 17452 OH2 TIP3 5777 -1.792 -2.664 -4.377 1.00 0.00 WT1 O ATOM 17453 H1 TIP3 5777 1.976 -23.652 1.951 1.00 0.00 WT1 H ATOM 17454 H2 TIP3 5777 13.886 10.875 20.949 1.00 0.00 WT1 H ATOM 17455 OH2 TIP3 5778 3.768 -5.458 1.777 1.00 0.00 WT1 O ATOM 17456 H1 TIP3 5778 -1.313 4.521 11.223 1.00 0.00 WT1 H ATOM 17457 H2 TIP3 5778 -6.151 25.727 12.691 1.00 0.00 WT1 H ATOM 17458 OH2 TIP3 5779 -0.384 1.845 -1.236 1.00 0.00 WT1 O ATOM 17459 H1 TIP3 5779 -5.321 31.397 -2.394 1.00 0.00 WT1 H ATOM 17460 H2 TIP3 5779 21.266 14.482 5.214 1.00 0.00 WT1 H ATOM 17461 OH2 TIP3 5780 -4.306 2.583 4.455 1.00 0.00 WT1 O ATOM 17462 H1 TIP3 5780 8.324 -14.163 10.843 1.00 0.00 WT1 H ATOM 17463 H2 TIP3 5780 4.482 17.256 -4.693 1.00 0.00 WT1 H ATOM 17464 OH2 TIP3 5781 -6.250 0.553 3.045 1.00 0.00 WT1 O ATOM 17465 H1 TIP3 5781 7.632 19.575 0.751 1.00 0.00 WT1 H ATOM 17466 H2 TIP3 5781 -7.696 3.840 -17.915 1.00 0.00 WT1 H ATOM 17467 OH2 TIP3 5782 -2.270 -4.276 2.104 1.00 0.00 WT1 O ATOM 17468 H1 TIP3 5782 5.370 1.548 -6.730 1.00 0.00 WT1 H ATOM 17469 H2 TIP3 5782 -1.695 -3.366 2.005 1.00 0.00 WT1 H ATOM 17470 OH2 TIP3 5783 -4.286 -4.123 -4.354 1.00 0.00 WT1 O ATOM 17471 H1 TIP3 5783 -4.761 -4.251 -1.582 1.00 0.00 WT1 H ATOM 17472 H2 TIP3 5783 -3.144 -3.761 -8.074 1.00 0.00 WT1 H ATOM 17473 OH2 TIP3 5784 1.050 0.039 -0.720 1.00 0.00 WT1 O ATOM 17474 H1 TIP3 5784 3.318 2.078 5.092 1.00 0.00 WT1 H ATOM 17475 H2 TIP3 5784 1.627 -0.230 4.350 1.00 0.00 WT1 H ATOM 17476 OH2 TIP3 5785 -0.431 -4.800 5.885 1.00 0.00 WT1 O ATOM 17477 H1 TIP3 5785 -3.404 -5.621 8.359 1.00 0.00 WT1 H ATOM 17478 H2 TIP3 5785 6.511 -2.811 1.779 1.00 0.00 WT1 H ATOM 17479 OH2 TIP3 5786 1.763 -2.441 4.764 1.00 0.00 WT1 O ATOM 17480 H1 TIP3 5786 15.227 -19.393 -14.725 1.00 0.00 WT1 H ATOM 17481 H2 TIP3 5786 -2.994 -0.202 -13.515 1.00 0.00 WT1 H ATOM 17482 OH2 TIP3 5787 -2.955 3.792 1.195 1.00 0.00 WT1 O ATOM 17483 H1 TIP3 5787 11.404 7.224 -8.378 1.00 0.00 WT1 H ATOM 17484 H2 TIP3 5787 9.828 7.660 -7.415 1.00 0.00 WT1 H ATOM 17485 OH2 TIP3 5788 1.407 5.338 -1.357 1.00 0.00 WT1 O ATOM 17486 H1 TIP3 5788 -16.344 22.843 -1.821 1.00 0.00 WT1 H ATOM 17487 H2 TIP3 5788 0.863 8.427 18.034 1.00 0.00 WT1 H ATOM 17488 OH2 TIP3 5789 -4.266 -2.120 -1.665 1.00 0.00 WT1 O ATOM 17489 H1 TIP3 5789 -6.413 12.482 1.774 1.00 0.00 WT1 H ATOM 17490 H2 TIP3 5789 -3.457 -6.115 -1.618 1.00 0.00 WT1 H ATOM 17491 OH2 TIP3 5790 3.089 -2.850 -1.428 1.00 0.00 WT1 O ATOM 17492 H1 TIP3 5790 5.188 -11.039 1.870 1.00 0.00 WT1 H ATOM 17493 H2 TIP3 5790 3.008 -8.253 14.721 1.00 0.00 WT1 H ATOM 17494 OH2 TIP3 5791 2.220 7.298 -4.590 1.00 0.00 WT1 O ATOM 17495 H1 TIP3 5791 -11.144 21.582 16.763 1.00 0.00 WT1 H ATOM 17496 H2 TIP3 5791 -13.055 11.670 -26.326 1.00 0.00 WT1 H ATOM 17497 OH2 TIP3 5792 -2.610 -2.900 -3.234 1.00 0.00 WT1 O ATOM 17498 H1 TIP3 5792 -5.446 18.209 -33.729 1.00 0.00 WT1 H ATOM 17499 H2 TIP3 5792 -2.477 0.041 -9.679 1.00 0.00 WT1 H ATOM 17500 OH2 TIP3 5793 5.109 -1.010 6.076 1.00 0.00 WT1 O ATOM 17501 H1 TIP3 5793 9.965 -29.645 -12.023 1.00 0.00 WT1 H ATOM 17502 H2 TIP3 5793 6.995 -6.689 3.312 1.00 0.00 WT1 H ATOM 17503 OH2 TIP3 5794 -2.619 -5.788 -6.161 1.00 0.00 WT1 O ATOM 17504 H1 TIP3 5794 -6.971 5.788 1.863 1.00 0.00 WT1 H ATOM 17505 H2 TIP3 5794 -13.248 19.443 11.265 1.00 0.00 WT1 H ATOM 17506 OH2 TIP3 5795 -0.784 -0.726 2.939 1.00 0.00 WT1 O ATOM 17507 H1 TIP3 5795 21.722 -4.113 -4.073 1.00 0.00 WT1 H ATOM 17508 H2 TIP3 5795 9.705 1.226 2.875 1.00 0.00 WT1 H ATOM 17509 OH2 TIP3 5796 -1.624 0.667 -1.744 1.00 0.00 WT1 O ATOM 17510 H1 TIP3 5796 -4.468 17.585 -18.695 1.00 0.00 WT1 H ATOM 17511 H2 TIP3 5796 11.706 -1.584 -3.456 1.00 0.00 WT1 H ATOM 17512 OH2 TIP3 5797 -2.266 -1.545 0.828 1.00 0.00 WT1 O ATOM 17513 H1 TIP3 5797 2.633 -2.551 1.880 1.00 0.00 WT1 H ATOM 17514 H2 TIP3 5797 -20.401 7.928 -13.246 1.00 0.00 WT1 H ATOM 17515 OH2 TIP3 5798 1.460 0.134 0.261 1.00 0.00 WT1 O ATOM 17516 H1 TIP3 5798 -16.959 -3.377 -8.230 1.00 0.00 WT1 H ATOM 17517 H2 TIP3 5798 -18.108 -11.435 28.082 1.00 0.00 WT1 H ATOM 17518 OH2 TIP3 5799 -0.923 0.999 -1.381 1.00 0.00 WT1 O ATOM 17519 H1 TIP3 5799 -0.134 -13.374 -7.337 1.00 0.00 WT1 H ATOM 17520 H2 TIP3 5799 4.485 -0.777 -1.771 1.00 0.00 WT1 H ATOM 17521 OH2 TIP3 5800 -1.172 0.246 5.634 1.00 0.00 WT1 O ATOM 17522 H1 TIP3 5800 15.738 -2.127 22.098 1.00 0.00 WT1 H ATOM 17523 H2 TIP3 5800 0.867 -4.307 -10.443 1.00 0.00 WT1 H ATOM 17524 OH2 TIP3 5801 -2.255 -3.430 -1.134 1.00 0.00 WT1 O ATOM 17525 H1 TIP3 5801 -20.609 -21.310 -22.585 1.00 0.00 WT1 H ATOM 17526 H2 TIP3 5801 -1.358 -2.016 -7.835 1.00 0.00 WT1 H ATOM 17527 OH2 TIP3 5802 -1.186 -2.484 1.635 1.00 0.00 WT1 O ATOM 17528 H1 TIP3 5802 12.607 -11.387 10.359 1.00 0.00 WT1 H ATOM 17529 H2 TIP3 5802 0.772 25.144 13.308 1.00 0.00 WT1 H ATOM 17530 OH2 TIP3 5803 -6.958 -2.084 1.302 1.00 0.00 WT1 O ATOM 17531 H1 TIP3 5803 -0.900 -4.100 -11.110 1.00 0.00 WT1 H ATOM 17532 H2 TIP3 5803 -19.247 -13.627 -9.024 1.00 0.00 WT1 H ATOM 17533 OH2 TIP3 5804 2.239 0.002 -0.661 1.00 0.00 WT1 O ATOM 17534 H1 TIP3 5804 -4.333 -0.219 2.198 1.00 0.00 WT1 H ATOM 17535 H2 TIP3 5804 -8.041 9.006 -11.877 1.00 0.00 WT1 H ATOM 17536 OH2 TIP3 5805 -6.554 -4.576 -2.926 1.00 0.00 WT1 O ATOM 17537 H1 TIP3 5805 -10.935 10.889 -4.864 1.00 0.00 WT1 H ATOM 17538 H2 TIP3 5805 -12.363 -1.129 8.313 1.00 0.00 WT1 H ATOM 17539 OH2 TIP3 5806 -0.618 5.838 1.425 1.00 0.00 WT1 O ATOM 17540 H1 TIP3 5806 -1.510 6.602 1.960 1.00 0.00 WT1 H ATOM 17541 H2 TIP3 5806 6.137 -0.099 -7.731 1.00 0.00 WT1 H ATOM 17542 OH2 TIP3 5807 -5.992 -0.674 -1.012 1.00 0.00 WT1 O ATOM 17543 H1 TIP3 5807 -12.615 -17.350 9.495 1.00 0.00 WT1 H ATOM 17544 H2 TIP3 5807 -2.917 7.006 -9.495 1.00 0.00 WT1 H ATOM 17545 OH2 TIP3 5808 -0.163 -4.949 0.123 1.00 0.00 WT1 O ATOM 17546 H1 TIP3 5808 -19.622 -30.974 -8.156 1.00 0.00 WT1 H ATOM 17547 H2 TIP3 5808 7.160 -0.238 -10.730 1.00 0.00 WT1 H ATOM 17548 OH2 TIP3 5809 1.271 3.621 0.001 1.00 0.00 WT1 O ATOM 17549 H1 TIP3 5809 -4.690 7.985 2.143 1.00 0.00 WT1 H ATOM 17550 H2 TIP3 5809 -0.737 -6.520 11.759 1.00 0.00 WT1 H ATOM 17551 OH2 TIP3 5810 -0.271 2.356 -7.607 1.00 0.00 WT1 O ATOM 17552 H1 TIP3 5810 4.963 -10.239 -0.048 1.00 0.00 WT1 H ATOM 17553 H2 TIP3 5810 -7.496 12.925 -14.298 1.00 0.00 WT1 H ATOM 17554 OH2 TIP3 5813 -2.683 1.435 -4.345 1.00 0.00 WT1 O ATOM 17555 H1 TIP3 5813 -33.102 -5.349 6.423 1.00 0.00 WT1 H ATOM 17556 H2 TIP3 5813 12.161 -4.822 -2.570 1.00 0.00 WT1 H ATOM 17557 OH2 TIP3 5814 -2.189 -5.479 -6.262 1.00 0.00 WT1 O ATOM 17558 H1 TIP3 5814 -7.980 -2.151 -8.720 1.00 0.00 WT1 H ATOM 17559 H2 TIP3 5814 11.265 1.214 -20.990 1.00 0.00 WT1 H ATOM 17560 OH2 TIP3 5815 -4.133 0.872 6.072 1.00 0.00 WT1 O ATOM 17561 H1 TIP3 5815 -7.041 -10.635 20.490 1.00 0.00 WT1 H ATOM 17562 H2 TIP3 5815 -0.802 0.879 0.350 1.00 0.00 WT1 H ATOM 17563 OH2 TIP3 5816 -6.950 -4.691 4.181 1.00 0.00 WT1 O ATOM 17564 H1 TIP3 5816 -19.414 0.857 13.940 1.00 0.00 WT1 H ATOM 17565 H2 TIP3 5816 12.561 -13.104 0.796 1.00 0.00 WT1 H ATOM 17566 OH2 TIP3 5817 0.632 2.348 -4.453 1.00 0.00 WT1 O ATOM 17567 H1 TIP3 5817 10.276 -2.018 2.965 1.00 0.00 WT1 H ATOM 17568 H2 TIP3 5817 -2.141 17.261 -6.110 1.00 0.00 WT1 H ATOM 17569 OH2 TIP3 5818 -2.041 3.290 1.409 1.00 0.00 WT1 O ATOM 17570 H1 TIP3 5818 -0.069 -1.229 -13.536 1.00 0.00 WT1 H ATOM 17571 H2 TIP3 5818 -7.871 -12.871 20.582 1.00 0.00 WT1 H ATOM 17572 OH2 TIP3 5819 0.204 -4.151 0.359 1.00 0.00 WT1 O ATOM 17573 H1 TIP3 5819 -10.215 -4.630 -9.734 1.00 0.00 WT1 H ATOM 17574 H2 TIP3 5819 -4.192 4.978 8.238 1.00 0.00 WT1 H ATOM 17575 OH2 TIP3 5820 6.256 -6.051 1.173 1.00 0.00 WT1 O ATOM 17576 H1 TIP3 5820 3.403 11.974 -0.441 1.00 0.00 WT1 H ATOM 17577 H2 TIP3 5820 5.360 -1.220 2.427 1.00 0.00 WT1 H ATOM 17578 OH2 TIP3 5821 -9.431 5.388 1.292 1.00 0.00 WT1 O ATOM 17579 H1 TIP3 5821 -4.961 1.150 -7.744 1.00 0.00 WT1 H ATOM 17580 H2 TIP3 5821 -7.827 3.598 -1.962 1.00 0.00 WT1 H ATOM 17581 OH2 TIP3 5822 2.577 0.373 -2.451 1.00 0.00 WT1 O ATOM 17582 H1 TIP3 5822 7.404 2.306 -0.795 1.00 0.00 WT1 H ATOM 17583 H2 TIP3 5822 -26.100 -14.591 -13.354 1.00 0.00 WT1 H ATOM 17584 OH2 TIP3 5823 -0.591 3.960 2.418 1.00 0.00 WT1 O ATOM 17585 H1 TIP3 5823 4.815 5.384 2.063 1.00 0.00 WT1 H ATOM 17586 H2 TIP3 5823 -1.701 -4.052 -4.707 1.00 0.00 WT1 H ATOM 17587 OH2 TIP3 5824 3.164 -1.355 1.714 1.00 0.00 WT1 O ATOM 17588 H1 TIP3 5824 -3.912 -9.563 3.401 1.00 0.00 WT1 H ATOM 17589 H2 TIP3 5824 -22.544 -4.089 11.411 1.00 0.00 WT1 H ATOM 17590 OH2 TIP3 5826 -1.395 3.405 -0.565 1.00 0.00 WT1 O ATOM 17591 H1 TIP3 5826 11.039 -0.801 3.442 1.00 0.00 WT1 H ATOM 17592 H2 TIP3 5826 7.010 -28.174 6.960 1.00 0.00 WT1 H ATOM 17593 OH2 TIP3 5827 2.161 5.042 -1.817 1.00 0.00 WT1 O ATOM 17594 H1 TIP3 5827 -1.387 10.114 8.783 1.00 0.00 WT1 H ATOM 17595 H2 TIP3 5827 9.428 -6.639 -27.550 1.00 0.00 WT1 H ATOM 17596 OH2 TIP3 5828 -2.043 -4.338 4.933 1.00 0.00 WT1 O ATOM 17597 H1 TIP3 5828 -9.832 2.109 -1.052 1.00 0.00 WT1 H ATOM 17598 H2 TIP3 5828 -22.738 -5.561 11.180 1.00 0.00 WT1 H ATOM 17599 OH2 TIP3 5830 0.941 -0.527 -1.881 1.00 0.00 WT1 O ATOM 17600 H1 TIP3 5830 1.270 2.402 -8.659 1.00 0.00 WT1 H ATOM 17601 H2 TIP3 5830 -0.455 -0.118 2.847 1.00 0.00 WT1 H ATOM 17602 OH2 TIP3 5831 -0.213 -2.762 -1.825 1.00 0.00 WT1 O ATOM 17603 H1 TIP3 5831 -2.100 -2.983 -0.227 1.00 0.00 WT1 H ATOM 17604 H2 TIP3 5831 -13.326 -4.495 26.892 1.00 0.00 WT1 H ATOM 17605 OH2 TIP3 5832 -6.155 -0.497 -3.395 1.00 0.00 WT1 O ATOM 17606 H1 TIP3 5832 -5.200 -2.300 6.406 1.00 0.00 WT1 H ATOM 17607 H2 TIP3 5832 -1.660 -8.331 -18.309 1.00 0.00 WT1 H ATOM 17608 OH2 TIP3 5833 -0.965 4.102 0.576 1.00 0.00 WT1 O ATOM 17609 H1 TIP3 5833 4.512 -9.768 -0.306 1.00 0.00 WT1 H ATOM 17610 H2 TIP3 5833 -5.992 21.778 -5.463 1.00 0.00 WT1 H ATOM 17611 OH2 TIP3 5834 2.349 5.446 -3.967 1.00 0.00 WT1 O ATOM 17612 H1 TIP3 5834 11.766 -6.027 -23.905 1.00 0.00 WT1 H ATOM 17613 H2 TIP3 5834 -3.874 22.117 -12.733 1.00 0.00 WT1 H ATOM 17614 OH2 TIP3 5835 3.015 0.395 -4.399 1.00 0.00 WT1 O ATOM 17615 H1 TIP3 5835 -6.959 13.928 2.622 1.00 0.00 WT1 H ATOM 17616 H2 TIP3 5835 13.702 11.370 10.230 1.00 0.00 WT1 H ATOM 17617 OH2 TIP3 5836 -8.273 -2.469 0.151 1.00 0.00 WT1 O ATOM 17618 H1 TIP3 5836 -7.208 1.280 -10.241 1.00 0.00 WT1 H ATOM 17619 H2 TIP3 5836 10.370 -4.766 -4.125 1.00 0.00 WT1 H ATOM 17620 OH2 TIP3 5837 0.158 -7.426 -0.977 1.00 0.00 WT1 O ATOM 17621 H1 TIP3 5837 5.334 1.203 4.518 1.00 0.00 WT1 H ATOM 17622 H2 TIP3 5837 0.796 0.839 7.581 1.00 0.00 WT1 H ATOM 17623 OH2 TIP3 5838 -0.344 -1.586 -2.104 1.00 0.00 WT1 O ATOM 17624 H1 TIP3 5838 8.885 13.040 -9.090 1.00 0.00 WT1 H ATOM 17625 H2 TIP3 5838 -4.317 -5.846 -25.196 1.00 0.00 WT1 H ATOM 17626 OH2 TIP3 5839 5.542 -0.820 3.146 1.00 0.00 WT1 O ATOM 17627 H1 TIP3 5839 9.956 14.899 2.954 1.00 0.00 WT1 H ATOM 17628 H2 TIP3 5839 10.510 15.143 10.699 1.00 0.00 WT1 H ATOM 17629 OH2 TIP3 5840 2.998 -3.067 -2.635 1.00 0.00 WT1 O ATOM 17630 H1 TIP3 5840 4.965 -0.285 5.004 1.00 0.00 WT1 H ATOM 17631 H2 TIP3 5840 3.409 -2.049 -1.429 1.00 0.00 WT1 H ATOM 17632 OH2 TIP3 5841 -3.512 -5.276 1.940 1.00 0.00 WT1 O ATOM 17633 H1 TIP3 5841 -7.716 1.165 16.871 1.00 0.00 WT1 H ATOM 17634 H2 TIP3 5841 7.797 -10.420 20.062 1.00 0.00 WT1 H ATOM 17635 OH2 TIP3 5842 5.276 -2.800 0.784 1.00 0.00 WT1 O ATOM 17636 H1 TIP3 5842 9.587 1.913 -4.734 1.00 0.00 WT1 H ATOM 17637 H2 TIP3 5842 8.015 -2.595 -4.552 1.00 0.00 WT1 H ATOM 17638 OH2 TIP3 5843 -2.518 5.762 2.398 1.00 0.00 WT1 O ATOM 17639 H1 TIP3 5843 2.623 8.172 2.527 1.00 0.00 WT1 H ATOM 17640 H2 TIP3 5843 9.690 8.282 1.317 1.00 0.00 WT1 H ATOM 17641 OH2 TIP3 5844 0.153 2.642 -4.441 1.00 0.00 WT1 O ATOM 17642 H1 TIP3 5844 -3.803 -15.336 4.587 1.00 0.00 WT1 H ATOM 17643 H2 TIP3 5844 5.249 24.364 -2.989 1.00 0.00 WT1 H ATOM 17644 OH2 TIP3 5845 -2.000 -2.056 -0.211 1.00 0.00 WT1 O ATOM 17645 H1 TIP3 5845 -3.650 -9.277 -14.486 1.00 0.00 WT1 H ATOM 17646 H2 TIP3 5845 -2.478 -5.592 -6.491 1.00 0.00 WT1 H ATOM 17647 OH2 TIP3 5846 1.748 -3.560 5.671 1.00 0.00 WT1 O ATOM 17648 H1 TIP3 5846 -2.235 20.907 -4.448 1.00 0.00 WT1 H ATOM 17649 H2 TIP3 5846 26.741 -1.598 15.137 1.00 0.00 WT1 H ATOM 17650 OH2 TIP3 5847 2.879 0.074 -2.503 1.00 0.00 WT1 O ATOM 17651 H1 TIP3 5847 6.773 15.406 -15.339 1.00 0.00 WT1 H ATOM 17652 H2 TIP3 5847 13.005 2.440 -6.384 1.00 0.00 WT1 H ATOM 17653 OH2 TIP3 5848 -4.302 -3.390 3.153 1.00 0.00 WT1 O ATOM 17654 H1 TIP3 5848 -18.970 -9.019 4.170 1.00 0.00 WT1 H ATOM 17655 H2 TIP3 5848 -3.399 -3.895 -11.674 1.00 0.00 WT1 H ATOM 17656 OH2 TIP3 5850 5.517 5.053 -4.157 1.00 0.00 WT1 O ATOM 17657 H1 TIP3 5850 1.237 -3.264 -26.949 1.00 0.00 WT1 H ATOM 17658 H2 TIP3 5850 20.673 10.858 14.671 1.00 0.00 WT1 H ATOM 17659 OH2 TIP3 5851 -5.379 -0.499 -0.379 1.00 0.00 WT1 O ATOM 17660 H1 TIP3 5851 10.811 34.787 3.394 1.00 0.00 WT1 H ATOM 17661 H2 TIP3 5851 -0.889 22.077 -16.415 1.00 0.00 WT1 H ATOM 17662 OH2 TIP3 5852 -1.578 -5.139 4.529 1.00 0.00 WT1 O ATOM 17663 H1 TIP3 5852 -4.030 4.224 1.655 1.00 0.00 WT1 H ATOM 17664 H2 TIP3 5852 -3.391 2.146 2.289 1.00 0.00 WT1 H ATOM 17665 OH2 TIP3 5853 0.722 -6.862 -2.814 1.00 0.00 WT1 O ATOM 17666 H1 TIP3 5853 -12.229 -13.053 4.761 1.00 0.00 WT1 H ATOM 17667 H2 TIP3 5853 -4.733 -16.368 -5.537 1.00 0.00 WT1 H ATOM 17668 OH2 TIP3 5854 -0.546 5.546 -3.557 1.00 0.00 WT1 O ATOM 17669 H1 TIP3 5854 -5.582 -6.300 -6.632 1.00 0.00 WT1 H ATOM 17670 H2 TIP3 5854 -3.679 -3.256 -5.321 1.00 0.00 WT1 H ATOM 17671 OH2 TIP3 5855 -0.379 4.708 4.629 1.00 0.00 WT1 O ATOM 17672 H1 TIP3 5855 -16.396 1.656 5.401 1.00 0.00 WT1 H ATOM 17673 H2 TIP3 5855 9.857 15.944 1.663 1.00 0.00 WT1 H ATOM 17674 OH2 TIP3 5856 1.222 -1.273 3.164 1.00 0.00 WT1 O ATOM 17675 H1 TIP3 5856 0.648 0.256 7.315 1.00 0.00 WT1 H ATOM 17676 H2 TIP3 5856 0.998 0.035 7.391 1.00 0.00 WT1 H ATOM 17677 OH2 TIP3 5857 -2.106 -1.265 3.842 1.00 0.00 WT1 O ATOM 17678 H1 TIP3 5857 20.056 8.876 -19.223 1.00 0.00 WT1 H ATOM 17679 H2 TIP3 5857 7.596 -0.141 -2.517 1.00 0.00 WT1 H ATOM 17680 OH2 TIP3 5858 -3.959 -3.681 -3.408 1.00 0.00 WT1 O ATOM 17681 H1 TIP3 5858 -17.584 -5.011 -12.687 1.00 0.00 WT1 H ATOM 17682 H2 TIP3 5858 3.011 4.480 -12.557 1.00 0.00 WT1 H ATOM 17683 OH2 TIP3 5859 7.278 2.053 2.887 1.00 0.00 WT1 O ATOM 17684 H1 TIP3 5859 2.312 8.952 -12.279 1.00 0.00 WT1 H ATOM 17685 H2 TIP3 5859 -3.903 10.391 9.164 1.00 0.00 WT1 H ATOM 17686 OH2 TIP3 5860 0.688 1.367 -0.138 1.00 0.00 WT1 O ATOM 17687 H1 TIP3 5860 -16.654 1.883 -13.645 1.00 0.00 WT1 H ATOM 17688 H2 TIP3 5860 1.414 -4.674 9.175 1.00 0.00 WT1 H ATOM 17689 OH2 TIP3 5861 7.956 -3.766 -6.845 1.00 0.00 WT1 O ATOM 17690 H1 TIP3 5861 4.508 -5.938 -2.887 1.00 0.00 WT1 H ATOM 17691 H2 TIP3 5861 0.461 -5.872 -8.288 1.00 0.00 WT1 H ATOM 17692 OH2 TIP3 5862 2.306 2.276 -6.364 1.00 0.00 WT1 O ATOM 17693 H1 TIP3 5862 -6.848 -10.962 6.467 1.00 0.00 WT1 H ATOM 17694 H2 TIP3 5862 -6.012 6.802 4.457 1.00 0.00 WT1 H ATOM 17695 OH2 TIP3 5863 -5.809 -2.764 3.655 1.00 0.00 WT1 O ATOM 17696 H1 TIP3 5863 -2.482 -21.824 -24.883 1.00 0.00 WT1 H ATOM 17697 H2 TIP3 5863 -3.314 -4.328 -8.841 1.00 0.00 WT1 H ATOM 17698 OH2 TIP3 5865 -2.918 -2.965 -4.125 1.00 0.00 WT1 O ATOM 17699 H1 TIP3 5865 29.298 22.520 -2.570 1.00 0.00 WT1 H ATOM 17700 H2 TIP3 5865 -18.580 -25.148 2.146 1.00 0.00 WT1 H ATOM 17701 OH2 TIP3 5866 -0.926 1.167 -4.170 1.00 0.00 WT1 O ATOM 17702 H1 TIP3 5866 -25.027 -15.437 -15.362 1.00 0.00 WT1 H ATOM 17703 H2 TIP3 5866 -5.491 -23.888 17.301 1.00 0.00 WT1 H ATOM 17704 OH2 TIP3 5867 0.716 -0.498 0.594 1.00 0.00 WT1 O ATOM 17705 H1 TIP3 5867 -15.348 -4.494 -8.700 1.00 0.00 WT1 H ATOM 17706 H2 TIP3 5867 1.297 1.095 3.491 1.00 0.00 WT1 H ATOM 17707 OH2 TIP3 5868 -3.235 4.793 -5.296 1.00 0.00 WT1 O ATOM 17708 H1 TIP3 5868 -34.489 12.030 -5.211 1.00 0.00 WT1 H ATOM 17709 H2 TIP3 5868 -6.737 5.081 -0.023 1.00 0.00 WT1 H ATOM 17710 OH2 TIP3 5869 1.862 1.691 0.395 1.00 0.00 WT1 O ATOM 17711 H1 TIP3 5869 8.528 14.908 -4.061 1.00 0.00 WT1 H ATOM 17712 H2 TIP3 5869 0.803 1.721 10.641 1.00 0.00 WT1 H ATOM 17713 OH2 TIP3 5871 -2.332 5.436 7.518 1.00 0.00 WT1 O ATOM 17714 H1 TIP3 5871 5.185 5.746 1.284 1.00 0.00 WT1 H ATOM 17715 H2 TIP3 5871 6.944 8.902 1.239 1.00 0.00 WT1 H ATOM 17716 OH2 TIP3 5872 1.145 -2.536 0.710 1.00 0.00 WT1 O ATOM 17717 H1 TIP3 5872 -11.910 -7.447 -10.996 1.00 0.00 WT1 H ATOM 17718 H2 TIP3 5872 4.911 3.481 -3.014 1.00 0.00 WT1 H ATOM 17719 OH2 TIP3 5873 -0.820 1.735 -2.472 1.00 0.00 WT1 O ATOM 17720 H1 TIP3 5873 7.161 -1.222 3.489 1.00 0.00 WT1 H ATOM 17721 H2 TIP3 5873 26.835 -9.916 20.913 1.00 0.00 WT1 H ATOM 17722 OH2 TIP3 5874 -0.184 -1.535 -2.709 1.00 0.00 WT1 O ATOM 17723 H1 TIP3 5874 -0.010 -10.948 17.667 1.00 0.00 WT1 H ATOM 17724 H2 TIP3 5874 -4.066 -7.468 -6.169 1.00 0.00 WT1 H ATOM 17725 OH2 TIP3 5875 1.562 2.744 -4.218 1.00 0.00 WT1 O ATOM 17726 H1 TIP3 5875 14.258 -8.931 5.956 1.00 0.00 WT1 H ATOM 17727 H2 TIP3 5875 3.072 -9.963 7.084 1.00 0.00 WT1 H ATOM 17728 OH2 TIP3 5876 2.474 2.510 5.428 1.00 0.00 WT1 O ATOM 17729 H1 TIP3 5876 6.975 8.129 -8.144 1.00 0.00 WT1 H ATOM 17730 H2 TIP3 5876 0.492 0.132 10.113 1.00 0.00 WT1 H ATOM 17731 OH2 TIP3 5877 -6.267 2.175 -1.777 1.00 0.00 WT1 O ATOM 17732 H1 TIP3 5877 -12.752 -10.878 -0.059 1.00 0.00 WT1 H ATOM 17733 H2 TIP3 5877 -14.930 16.185 -7.429 1.00 0.00 WT1 H ATOM 17734 OH2 TIP3 5878 -0.291 1.997 -2.081 1.00 0.00 WT1 O ATOM 17735 H1 TIP3 5878 0.403 1.524 2.114 1.00 0.00 WT1 H ATOM 17736 H2 TIP3 5878 -3.100 0.745 7.929 1.00 0.00 WT1 H ATOM 17737 OH2 TIP3 5879 7.061 6.111 6.344 1.00 0.00 WT1 O ATOM 17738 H1 TIP3 5879 -4.045 -6.268 -13.647 1.00 0.00 WT1 H ATOM 17739 H2 TIP3 5879 1.363 -11.934 -22.377 1.00 0.00 WT1 H ATOM 17740 OH2 TIP3 5880 2.149 -5.212 3.982 1.00 0.00 WT1 O ATOM 17741 H1 TIP3 5880 0.181 -8.066 -2.083 1.00 0.00 WT1 H ATOM 17742 H2 TIP3 5880 -26.874 -18.437 -4.225 1.00 0.00 WT1 H ATOM 17743 OH2 TIP3 5881 -0.913 0.388 -1.275 1.00 0.00 WT1 O ATOM 17744 H1 TIP3 5881 15.259 0.968 -5.351 1.00 0.00 WT1 H ATOM 17745 H2 TIP3 5881 23.383 1.909 -7.475 1.00 0.00 WT1 H ATOM 17746 OH2 TIP3 5882 2.473 5.691 1.462 1.00 0.00 WT1 O ATOM 17747 H1 TIP3 5882 4.572 3.010 6.190 1.00 0.00 WT1 H ATOM 17748 H2 TIP3 5882 -4.455 -7.507 -7.454 1.00 0.00 WT1 H ATOM 17749 OH2 TIP3 5883 5.860 -4.080 5.547 1.00 0.00 WT1 O ATOM 17750 H1 TIP3 5883 3.665 -12.723 0.841 1.00 0.00 WT1 H ATOM 17751 H2 TIP3 5883 3.820 -11.827 -3.403 1.00 0.00 WT1 H ATOM 17752 OH2 TIP3 5884 2.105 2.623 -3.426 1.00 0.00 WT1 O ATOM 17753 H1 TIP3 5884 -22.160 3.143 5.659 1.00 0.00 WT1 H ATOM 17754 H2 TIP3 5884 -0.328 -6.455 -20.906 1.00 0.00 WT1 H ATOM 17755 OH2 TIP3 5885 4.074 1.779 8.233 1.00 0.00 WT1 O ATOM 17756 H1 TIP3 5885 12.448 -6.429 13.646 1.00 0.00 WT1 H ATOM 17757 H2 TIP3 5885 -16.563 17.962 -4.662 1.00 0.00 WT1 H ATOM 17758 OH2 TIP3 5886 3.153 -10.488 -4.750 1.00 0.00 WT1 O ATOM 17759 H1 TIP3 5886 14.672 3.606 -5.530 1.00 0.00 WT1 H ATOM 17760 H2 TIP3 5886 3.051 11.772 5.040 1.00 0.00 WT1 H ATOM 17761 OH2 TIP3 5887 -0.786 -0.784 -6.262 1.00 0.00 WT1 O ATOM 17762 H1 TIP3 5887 3.051 11.568 -11.554 1.00 0.00 WT1 H ATOM 17763 H2 TIP3 5887 -4.985 -0.178 5.426 1.00 0.00 WT1 H ATOM 17764 OH2 TIP3 5888 -3.133 -2.228 -4.157 1.00 0.00 WT1 O ATOM 17765 H1 TIP3 5888 13.075 5.861 -8.504 1.00 0.00 WT1 H ATOM 17766 H2 TIP3 5888 -16.531 11.575 -0.902 1.00 0.00 WT1 H ATOM 17767 OH2 TIP3 5889 -1.889 0.248 -0.684 1.00 0.00 WT1 O ATOM 17768 H1 TIP3 5889 16.097 1.785 -0.388 1.00 0.00 WT1 H ATOM 17769 H2 TIP3 5889 4.368 10.872 14.458 1.00 0.00 WT1 H ATOM 17770 OH2 TIP3 5890 -3.020 -2.351 -1.211 1.00 0.00 WT1 O ATOM 17771 H1 TIP3 5890 -12.888 -6.012 -0.595 1.00 0.00 WT1 H ATOM 17772 H2 TIP3 5890 2.959 -26.578 -26.676 1.00 0.00 WT1 H ATOM 17773 OH2 TIP3 5891 8.743 5.854 3.875 1.00 0.00 WT1 O ATOM 17774 H1 TIP3 5891 9.501 -4.827 -0.419 1.00 0.00 WT1 H ATOM 17775 H2 TIP3 5891 -4.608 -16.292 7.944 1.00 0.00 WT1 H ATOM 17776 OH2 TIP3 5893 6.414 -0.634 -0.421 1.00 0.00 WT1 O ATOM 17777 H1 TIP3 5893 17.513 0.727 -0.414 1.00 0.00 WT1 H ATOM 17778 H2 TIP3 5893 2.058 -2.608 13.828 1.00 0.00 WT1 H ATOM 17779 OH2 TIP3 5894 1.238 0.026 -2.842 1.00 0.00 WT1 O ATOM 17780 H1 TIP3 5894 -3.253 6.720 2.312 1.00 0.00 WT1 H ATOM 17781 H2 TIP3 5894 15.804 -5.430 -17.304 1.00 0.00 WT1 H ATOM 17782 OH2 TIP3 5896 -1.871 0.058 -6.435 1.00 0.00 WT1 O ATOM 17783 H1 TIP3 5896 6.707 -4.865 -6.537 1.00 0.00 WT1 H ATOM 17784 H2 TIP3 5896 1.672 4.327 -6.548 1.00 0.00 WT1 H ATOM 17785 OH2 TIP3 5897 2.863 -0.433 0.426 1.00 0.00 WT1 O ATOM 17786 H1 TIP3 5897 4.454 -0.547 1.370 1.00 0.00 WT1 H ATOM 17787 H2 TIP3 5897 6.185 25.473 -10.297 1.00 0.00 WT1 H ATOM 17788 OH2 TIP3 5898 1.690 11.493 3.211 1.00 0.00 WT1 O ATOM 17789 H1 TIP3 5898 0.333 18.154 20.354 1.00 0.00 WT1 H ATOM 17790 H2 TIP3 5898 5.456 9.863 8.276 1.00 0.00 WT1 H ATOM 17791 OH2 TIP3 5899 4.725 4.615 -0.642 1.00 0.00 WT1 O ATOM 17792 H1 TIP3 5899 18.879 -4.105 -3.148 1.00 0.00 WT1 H ATOM 17793 H2 TIP3 5899 -10.631 -7.534 -2.573 1.00 0.00 WT1 H ATOM 17794 OH2 TIP3 5900 5.671 -0.896 -0.790 1.00 0.00 WT1 O ATOM 17795 H1 TIP3 5900 2.920 -4.250 2.317 1.00 0.00 WT1 H ATOM 17796 H2 TIP3 5900 9.634 2.728 -3.408 1.00 0.00 WT1 H ATOM 17797 OH2 TIP3 5901 2.417 -4.118 -0.328 1.00 0.00 WT1 O ATOM 17798 H1 TIP3 5901 4.652 4.026 22.588 1.00 0.00 WT1 H ATOM 17799 H2 TIP3 5901 -3.024 3.699 -19.491 1.00 0.00 WT1 H ATOM 17800 OH2 TIP3 5902 1.204 3.613 -9.507 1.00 0.00 WT1 O ATOM 17801 H1 TIP3 5902 -3.316 -0.117 10.648 1.00 0.00 WT1 H ATOM 17802 H2 TIP3 5902 -11.580 -3.581 -20.689 1.00 0.00 WT1 H ATOM 17803 OH2 TIP3 5903 0.861 -3.107 -2.548 1.00 0.00 WT1 O ATOM 17804 H1 TIP3 5903 -3.884 0.502 2.896 1.00 0.00 WT1 H ATOM 17805 H2 TIP3 5903 -18.883 -18.732 16.993 1.00 0.00 WT1 H ATOM 17806 OH2 TIP3 5904 2.921 -5.457 -9.495 1.00 0.00 WT1 O ATOM 17807 H1 TIP3 5904 2.251 -14.144 -10.394 1.00 0.00 WT1 H ATOM 17808 H2 TIP3 5904 -3.249 -2.432 1.032 1.00 0.00 WT1 H ATOM 17809 OH2 TIP3 5906 -4.901 1.366 3.605 1.00 0.00 WT1 O ATOM 17810 H1 TIP3 5906 5.761 0.018 -13.180 1.00 0.00 WT1 H ATOM 17811 H2 TIP3 5906 15.097 -23.772 -0.606 1.00 0.00 WT1 H ATOM 17812 OH2 TIP3 5907 -3.236 -3.659 -5.251 1.00 0.00 WT1 O ATOM 17813 H1 TIP3 5907 6.683 18.676 -5.697 1.00 0.00 WT1 H ATOM 17814 H2 TIP3 5907 -17.988 -4.100 12.435 1.00 0.00 WT1 H ATOM 17815 OH2 TIP3 5909 -7.062 -4.112 1.645 1.00 0.00 WT1 O ATOM 17816 H1 TIP3 5909 -6.065 -1.896 1.137 1.00 0.00 WT1 H ATOM 17817 H2 TIP3 5909 -4.167 19.065 -2.478 1.00 0.00 WT1 H ATOM 17818 OH2 TIP3 5911 -0.119 6.531 0.433 1.00 0.00 WT1 O ATOM 17819 H1 TIP3 5911 18.936 4.407 14.051 1.00 0.00 WT1 H ATOM 17820 H2 TIP3 5911 -3.955 7.710 -0.748 1.00 0.00 WT1 H ATOM 17821 OH2 TIP3 5912 -2.288 -1.352 5.593 1.00 0.00 WT1 O ATOM 17822 H1 TIP3 5912 -0.620 -9.773 7.232 1.00 0.00 WT1 H ATOM 17823 H2 TIP3 5912 -6.205 -2.070 -1.879 1.00 0.00 WT1 H ATOM 17824 OH2 TIP3 5914 -0.361 -6.159 3.224 1.00 0.00 WT1 O ATOM 17825 H1 TIP3 5914 -3.325 -8.193 3.692 1.00 0.00 WT1 H ATOM 17826 H2 TIP3 5914 2.456 -8.300 4.802 1.00 0.00 WT1 H ATOM 17827 OH2 TIP3 5915 0.623 6.600 -0.707 1.00 0.00 WT1 O ATOM 17828 H1 TIP3 5915 -1.318 -12.694 -0.880 1.00 0.00 WT1 H ATOM 17829 H2 TIP3 5915 1.699 -8.143 4.900 1.00 0.00 WT1 H ATOM 17830 OH2 TIP3 5916 0.034 3.427 2.101 1.00 0.00 WT1 O ATOM 17831 H1 TIP3 5916 9.800 -8.519 3.949 1.00 0.00 WT1 H ATOM 17832 H2 TIP3 5916 8.392 14.784 -3.199 1.00 0.00 WT1 H ATOM 17833 OH2 TIP3 5917 2.582 -5.949 2.890 1.00 0.00 WT1 O ATOM 17834 H1 TIP3 5917 -8.214 -9.461 5.363 1.00 0.00 WT1 H ATOM 17835 H2 TIP3 5917 -0.814 2.181 -3.172 1.00 0.00 WT1 H ATOM 17836 OH2 TIP3 5919 -3.428 5.005 -1.650 1.00 0.00 WT1 O ATOM 17837 H1 TIP3 5919 -3.495 6.817 -9.263 1.00 0.00 WT1 H ATOM 17838 H2 TIP3 5919 -0.328 22.197 3.798 1.00 0.00 WT1 H ATOM 17839 OH2 TIP3 5920 2.629 1.152 0.222 1.00 0.00 WT1 O ATOM 17840 H1 TIP3 5920 -6.927 0.635 8.798 1.00 0.00 WT1 H ATOM 17841 H2 TIP3 5920 22.416 -0.180 -1.701 1.00 0.00 WT1 H ATOM 17842 OH2 TIP3 5921 5.207 -0.428 3.980 1.00 0.00 WT1 O ATOM 17843 H1 TIP3 5921 16.250 17.603 15.512 1.00 0.00 WT1 H ATOM 17844 H2 TIP3 5921 26.092 -1.040 7.224 1.00 0.00 WT1 H ATOM 17845 OH2 TIP3 5923 4.315 0.600 2.798 1.00 0.00 WT1 O ATOM 17846 H1 TIP3 5923 -10.360 0.927 -3.248 1.00 0.00 WT1 H ATOM 17847 H2 TIP3 5923 11.391 -18.100 -12.014 1.00 0.00 WT1 H ATOM 17848 OH2 TIP3 5924 9.447 7.797 2.379 1.00 0.00 WT1 O ATOM 17849 H1 TIP3 5924 20.918 -28.172 3.050 1.00 0.00 WT1 H ATOM 17850 H2 TIP3 5924 -25.354 6.467 25.867 1.00 0.00 WT1 H ATOM 17851 OH2 TIP3 5925 3.942 3.544 -3.098 1.00 0.00 WT1 O ATOM 17852 H1 TIP3 5925 -15.682 1.331 -9.966 1.00 0.00 WT1 H ATOM 17853 H2 TIP3 5925 7.939 9.686 1.040 1.00 0.00 WT1 H ATOM 17854 OH2 TIP3 5926 1.301 4.353 -8.641 1.00 0.00 WT1 O ATOM 17855 H1 TIP3 5926 -14.436 3.846 9.787 1.00 0.00 WT1 H ATOM 17856 H2 TIP3 5926 -9.130 16.749 -14.642 1.00 0.00 WT1 H ATOM 17857 OH2 TIP3 5927 -4.093 7.376 6.313 1.00 0.00 WT1 O ATOM 17858 H1 TIP3 5927 0.137 -7.644 -16.281 1.00 0.00 WT1 H ATOM 17859 H2 TIP3 5927 -2.103 2.943 -3.287 1.00 0.00 WT1 H ATOM 17860 OH2 TIP3 5928 -2.965 -0.250 -1.840 1.00 0.00 WT1 O ATOM 17861 H1 TIP3 5928 20.578 -7.979 15.749 1.00 0.00 WT1 H ATOM 17862 H2 TIP3 5928 -13.447 -7.961 -3.019 1.00 0.00 WT1 H ATOM 17863 OH2 TIP3 5929 2.588 -0.382 -4.392 1.00 0.00 WT1 O ATOM 17864 H1 TIP3 5929 -1.708 0.507 -0.449 1.00 0.00 WT1 H ATOM 17865 H2 TIP3 5929 -4.146 7.639 2.977 1.00 0.00 WT1 H ATOM 17866 OH2 TIP3 5930 -1.502 3.664 0.636 1.00 0.00 WT1 O ATOM 17867 H1 TIP3 5930 0.909 -8.306 1.807 1.00 0.00 WT1 H ATOM 17868 H2 TIP3 5930 -17.518 6.245 -8.641 1.00 0.00 WT1 H ATOM 17869 OH2 TIP3 5931 2.239 -2.264 -3.124 1.00 0.00 WT1 O ATOM 17870 H1 TIP3 5931 8.293 9.573 -22.868 1.00 0.00 WT1 H ATOM 17871 H2 TIP3 5931 5.202 8.778 2.556 1.00 0.00 WT1 H ATOM 17872 OH2 TIP3 5932 -2.051 5.698 -5.711 1.00 0.00 WT1 O ATOM 17873 H1 TIP3 5932 -0.178 4.217 -4.750 1.00 0.00 WT1 H ATOM 17874 H2 TIP3 5932 8.479 -0.429 -2.774 1.00 0.00 WT1 H ATOM 17875 OH2 TIP3 5934 -0.348 -1.044 -4.219 1.00 0.00 WT1 O ATOM 17876 H1 TIP3 5934 -0.475 4.213 -0.821 1.00 0.00 WT1 H ATOM 17877 H2 TIP3 5934 -0.730 -2.873 -0.386 1.00 0.00 WT1 H ATOM 17878 OH2 TIP3 5936 -4.624 2.140 -5.673 1.00 0.00 WT1 O ATOM 17879 H1 TIP3 5936 -18.020 16.866 -3.335 1.00 0.00 WT1 H ATOM 17880 H2 TIP3 5936 6.543 -9.681 -7.362 1.00 0.00 WT1 H ATOM 17881 OH2 TIP3 5937 -1.075 -1.849 2.620 1.00 0.00 WT1 O ATOM 17882 H1 TIP3 5937 17.929 -15.257 3.813 1.00 0.00 WT1 H ATOM 17883 H2 TIP3 5937 -7.435 9.124 -7.777 1.00 0.00 WT1 H ATOM 17884 OH2 TIP3 5939 2.810 -5.139 3.426 1.00 0.00 WT1 O ATOM 17885 H1 TIP3 5939 7.485 3.633 -6.625 1.00 0.00 WT1 H ATOM 17886 H2 TIP3 5939 -7.256 -10.447 -8.732 1.00 0.00 WT1 H ATOM 17887 OH2 TIP3 5941 1.053 3.738 2.052 1.00 0.00 WT1 O ATOM 17888 H1 TIP3 5941 -0.119 -6.885 6.305 1.00 0.00 WT1 H ATOM 17889 H2 TIP3 5941 -0.466 -19.800 8.952 1.00 0.00 WT1 H ATOM 17890 OH2 TIP3 5942 0.326 1.178 -0.388 1.00 0.00 WT1 O ATOM 17891 H1 TIP3 5942 5.139 3.468 11.251 1.00 0.00 WT1 H ATOM 17892 H2 TIP3 5942 8.558 3.788 15.006 1.00 0.00 WT1 H ATOM 17893 OH2 TIP3 5943 -8.422 0.564 0.011 1.00 0.00 WT1 O ATOM 17894 H1 TIP3 5943 -4.839 -1.516 -0.494 1.00 0.00 WT1 H ATOM 17895 H2 TIP3 5943 7.846 8.252 -7.974 1.00 0.00 WT1 H ATOM 17896 OH2 TIP3 5944 0.942 6.511 3.296 1.00 0.00 WT1 O ATOM 17897 H1 TIP3 5944 -5.825 9.317 0.438 1.00 0.00 WT1 H ATOM 17898 H2 TIP3 5944 -14.405 3.172 14.233 1.00 0.00 WT1 H ATOM 17899 OH2 TIP3 5945 -4.009 -5.564 3.134 1.00 0.00 WT1 O ATOM 17900 H1 TIP3 5945 13.687 6.501 13.175 1.00 0.00 WT1 H ATOM 17901 H2 TIP3 5945 -8.122 -11.757 2.090 1.00 0.00 WT1 H ATOM 17902 OH2 TIP3 5946 1.913 -6.881 -6.094 1.00 0.00 WT1 O ATOM 17903 H1 TIP3 5946 4.794 -12.689 -8.865 1.00 0.00 WT1 H ATOM 17904 H2 TIP3 5946 1.347 -9.593 2.060 1.00 0.00 WT1 H ATOM 17905 OH2 TIP3 5947 6.955 -1.517 0.494 1.00 0.00 WT1 O ATOM 17906 H1 TIP3 5947 4.829 9.786 -4.245 1.00 0.00 WT1 H ATOM 17907 H2 TIP3 5947 9.054 3.837 -3.686 1.00 0.00 WT1 H ATOM 17908 OH2 TIP3 5948 -5.022 5.688 -2.272 1.00 0.00 WT1 O ATOM 17909 H1 TIP3 5948 -5.659 -11.328 -0.379 1.00 0.00 WT1 H ATOM 17910 H2 TIP3 5948 -4.707 -2.325 -7.967 1.00 0.00 WT1 H ATOM 17911 OH2 TIP3 5949 0.853 2.304 5.392 1.00 0.00 WT1 O ATOM 17912 H1 TIP3 5949 0.821 2.700 6.473 1.00 0.00 WT1 H ATOM 17913 H2 TIP3 5949 -1.457 2.527 21.452 1.00 0.00 WT1 H ATOM 17914 OH2 TIP3 5950 0.433 3.789 3.473 1.00 0.00 WT1 O ATOM 17915 H1 TIP3 5950 1.360 4.276 1.695 1.00 0.00 WT1 H ATOM 17916 H2 TIP3 5950 -2.787 3.136 8.602 1.00 0.00 WT1 H ATOM 17917 OH2 TIP3 5951 -7.149 3.125 -5.198 1.00 0.00 WT1 O ATOM 17918 H1 TIP3 5951 7.682 -5.323 -12.752 1.00 0.00 WT1 H ATOM 17919 H2 TIP3 5951 -5.201 20.153 -3.282 1.00 0.00 WT1 H ATOM 17920 OH2 TIP3 5952 -2.480 -4.797 -2.554 1.00 0.00 WT1 O ATOM 17921 H1 TIP3 5952 7.810 -6.464 -0.105 1.00 0.00 WT1 H ATOM 17922 H2 TIP3 5952 -1.549 -9.880 -8.396 1.00 0.00 WT1 H ATOM 17923 OH2 TIP3 5953 3.705 7.052 -2.458 1.00 0.00 WT1 O ATOM 17924 H1 TIP3 5953 -5.215 -3.052 -18.513 1.00 0.00 WT1 H ATOM 17925 H2 TIP3 5953 -11.925 -8.243 -26.765 1.00 0.00 WT1 H ATOM 17926 OH2 TIP3 5954 3.749 3.685 3.028 1.00 0.00 WT1 O ATOM 17927 H1 TIP3 5954 -14.129 -9.915 -6.806 1.00 0.00 WT1 H ATOM 17928 H2 TIP3 5954 -17.683 -16.769 6.910 1.00 0.00 WT1 H ATOM 17929 OH2 TIP3 5955 -2.914 0.366 -0.733 1.00 0.00 WT1 O ATOM 17930 H1 TIP3 5955 3.974 -12.254 7.723 1.00 0.00 WT1 H ATOM 17931 H2 TIP3 5955 -5.397 -12.983 -7.909 1.00 0.00 WT1 H ATOM 17932 OH2 TIP3 5956 -5.351 0.370 6.120 1.00 0.00 WT1 O ATOM 17933 H1 TIP3 5956 4.947 4.145 11.298 1.00 0.00 WT1 H ATOM 17934 H2 TIP3 5956 -13.667 -2.458 2.318 1.00 0.00 WT1 H ATOM 17935 OH2 TIP3 5957 1.827 -0.461 6.205 1.00 0.00 WT1 O ATOM 17936 H1 TIP3 5957 -2.442 6.770 10.288 1.00 0.00 WT1 H ATOM 17937 H2 TIP3 5957 3.618 0.579 9.120 1.00 0.00 WT1 H ATOM 17938 OH2 TIP3 5958 -1.368 1.666 -1.935 1.00 0.00 WT1 O ATOM 17939 H1 TIP3 5958 -13.449 -8.377 -19.813 1.00 0.00 WT1 H ATOM 17940 H2 TIP3 5958 -16.272 10.132 10.001 1.00 0.00 WT1 H ATOM 17941 OH2 TIP3 5959 1.342 -7.268 3.355 1.00 0.00 WT1 O ATOM 17942 H1 TIP3 5959 -2.821 -4.370 20.783 1.00 0.00 WT1 H ATOM 17943 H2 TIP3 5959 -3.566 -2.258 -2.711 1.00 0.00 WT1 H ATOM 17944 OH2 TIP3 5960 -6.159 1.228 -3.972 1.00 0.00 WT1 O ATOM 17945 H1 TIP3 5960 -0.373 11.454 -0.656 1.00 0.00 WT1 H ATOM 17946 H2 TIP3 5960 -17.054 19.916 7.661 1.00 0.00 WT1 H ATOM 17947 OH2 TIP3 5961 1.153 10.348 4.652 1.00 0.00 WT1 O ATOM 17948 H1 TIP3 5961 15.689 9.972 -8.902 1.00 0.00 WT1 H ATOM 17949 H2 TIP3 5961 10.636 -5.008 10.128 1.00 0.00 WT1 H ATOM 17950 OH2 TIP3 5963 3.854 -1.221 0.378 1.00 0.00 WT1 O ATOM 17951 H1 TIP3 5963 -1.815 1.527 -1.037 1.00 0.00 WT1 H ATOM 17952 H2 TIP3 5963 -4.972 12.417 -10.792 1.00 0.00 WT1 H ATOM 17953 OH2 TIP3 5965 5.208 7.844 -4.946 1.00 0.00 WT1 O ATOM 17954 H1 TIP3 5965 11.707 14.937 11.045 1.00 0.00 WT1 H ATOM 17955 H2 TIP3 5965 -6.807 -14.374 -5.574 1.00 0.00 WT1 H ATOM 17956 OH2 TIP3 5966 -4.349 -5.547 -1.140 1.00 0.00 WT1 O ATOM 17957 H1 TIP3 5966 -14.637 -18.894 5.355 1.00 0.00 WT1 H ATOM 17958 H2 TIP3 5966 20.642 6.328 -10.257 1.00 0.00 WT1 H ATOM 17959 OH2 TIP3 5968 1.042 2.011 0.141 1.00 0.00 WT1 O ATOM 17960 H1 TIP3 5968 13.902 -5.128 -4.210 1.00 0.00 WT1 H ATOM 17961 H2 TIP3 5968 12.075 -6.958 -22.482 1.00 0.00 WT1 H ATOM 17962 OH2 TIP3 5969 -4.256 6.569 -0.309 1.00 0.00 WT1 O ATOM 17963 H1 TIP3 5969 3.489 1.722 -10.942 1.00 0.00 WT1 H ATOM 17964 H2 TIP3 5969 -4.303 -13.114 -5.617 1.00 0.00 WT1 H ATOM 17965 OH2 TIP3 5970 -1.384 9.086 -2.194 1.00 0.00 WT1 O ATOM 17966 H1 TIP3 5970 -3.529 -2.591 0.311 1.00 0.00 WT1 H ATOM 17967 H2 TIP3 5970 -1.634 -19.004 7.850 1.00 0.00 WT1 H ATOM 17968 OH2 TIP3 5971 -3.489 -6.654 -1.575 1.00 0.00 WT1 O ATOM 17969 H1 TIP3 5971 -3.341 -5.004 22.677 1.00 0.00 WT1 H ATOM 17970 H2 TIP3 5971 -20.048 -5.781 -2.567 1.00 0.00 WT1 H ATOM 17971 OH2 TIP3 5972 2.724 -1.842 -2.189 1.00 0.00 WT1 O ATOM 17972 H1 TIP3 5972 5.582 -17.469 -3.140 1.00 0.00 WT1 H ATOM 17973 H2 TIP3 5972 35.073 5.743 9.877 1.00 0.00 WT1 H ATOM 17974 OH2 TIP3 5973 -5.911 3.480 1.427 1.00 0.00 WT1 O ATOM 17975 H1 TIP3 5973 11.948 -7.018 0.342 1.00 0.00 WT1 H ATOM 17976 H2 TIP3 5973 -1.214 20.668 7.709 1.00 0.00 WT1 H ATOM 17977 OH2 TIP3 5974 -2.487 1.689 -1.226 1.00 0.00 WT1 O ATOM 17978 H1 TIP3 5974 2.108 1.766 -8.681 1.00 0.00 WT1 H ATOM 17979 H2 TIP3 5974 -19.878 -13.398 16.427 1.00 0.00 WT1 H ATOM 17980 OH2 TIP3 5975 7.136 -4.709 0.087 1.00 0.00 WT1 O ATOM 17981 H1 TIP3 5975 -8.675 -11.900 -5.284 1.00 0.00 WT1 H ATOM 17982 H2 TIP3 5975 -5.451 -13.792 13.600 1.00 0.00 WT1 H ATOM 17983 OH2 TIP3 5977 2.951 3.015 6.645 1.00 0.00 WT1 O ATOM 17984 H1 TIP3 5977 -33.013 20.259 5.638 1.00 0.00 WT1 H ATOM 17985 H2 TIP3 5977 -11.313 15.532 8.445 1.00 0.00 WT1 H ATOM 17986 OH2 TIP3 5978 -1.190 -1.419 -3.095 1.00 0.00 WT1 O ATOM 17987 H1 TIP3 5978 -1.423 2.659 -3.491 1.00 0.00 WT1 H ATOM 17988 H2 TIP3 5978 3.134 14.449 -5.373 1.00 0.00 WT1 H ATOM 17989 OH2 TIP3 5979 1.840 5.495 3.151 1.00 0.00 WT1 O ATOM 17990 H1 TIP3 5979 -9.895 5.340 -8.826 1.00 0.00 WT1 H ATOM 17991 H2 TIP3 5979 -4.712 5.300 -7.671 1.00 0.00 WT1 H ATOM 17992 OH2 TIP3 5980 -0.776 -1.249 5.063 1.00 0.00 WT1 O ATOM 17993 H1 TIP3 5980 -6.575 -2.301 -1.933 1.00 0.00 WT1 H ATOM 17994 H2 TIP3 5980 9.354 -1.052 14.998 1.00 0.00 WT1 H ATOM 17995 OH2 TIP3 5981 -5.303 -5.463 -2.670 1.00 0.00 WT1 O ATOM 17996 H1 TIP3 5981 -3.764 5.197 8.058 1.00 0.00 WT1 H ATOM 17997 H2 TIP3 5981 7.270 -12.917 -2.780 1.00 0.00 WT1 H ATOM 17998 OH2 TIP3 5982 3.020 3.778 -5.484 1.00 0.00 WT1 O ATOM 17999 H1 TIP3 5982 5.987 -7.833 -6.197 1.00 0.00 WT1 H ATOM 18000 H2 TIP3 5982 10.550 6.074 5.718 1.00 0.00 WT1 H ATOM 18001 OH2 TIP3 5983 3.552 -6.328 2.637 1.00 0.00 WT1 O ATOM 18002 H1 TIP3 5983 6.104 5.211 -6.914 1.00 0.00 WT1 H ATOM 18003 H2 TIP3 5983 10.362 -19.726 -10.330 1.00 0.00 WT1 H ATOM 18004 OH2 TIP3 5986 3.566 7.872 0.722 1.00 0.00 WT1 O ATOM 18005 H1 TIP3 5986 17.013 -2.926 13.022 1.00 0.00 WT1 H ATOM 18006 H2 TIP3 5986 -12.860 2.593 1.788 1.00 0.00 WT1 H ATOM 18007 OH2 TIP3 5987 -4.732 3.233 1.253 1.00 0.00 WT1 O ATOM 18008 H1 TIP3 5987 14.445 -0.208 5.717 1.00 0.00 WT1 H ATOM 18009 H2 TIP3 5987 -4.172 -1.261 -18.341 1.00 0.00 WT1 H ATOM 18010 OH2 TIP3 5988 -3.515 4.232 -3.910 1.00 0.00 WT1 O ATOM 18011 H1 TIP3 5988 -0.653 24.749 -0.753 1.00 0.00 WT1 H ATOM 18012 H2 TIP3 5988 -23.203 0.003 -13.009 1.00 0.00 WT1 H ATOM 18013 OH2 TIP3 5989 3.164 -6.052 2.038 1.00 0.00 WT1 O ATOM 18014 H1 TIP3 5989 24.967 -14.850 2.412 1.00 0.00 WT1 H ATOM 18015 H2 TIP3 5989 8.737 -5.724 1.385 1.00 0.00 WT1 H ATOM 18016 OH2 TIP3 5990 -6.483 1.983 7.117 1.00 0.00 WT1 O ATOM 18017 H1 TIP3 5990 -14.426 7.603 -0.237 1.00 0.00 WT1 H ATOM 18018 H2 TIP3 5990 -0.668 4.531 -0.456 1.00 0.00 WT1 H ATOM 18019 OH2 TIP3 5991 2.220 3.509 2.463 1.00 0.00 WT1 O ATOM 18020 H1 TIP3 5991 -0.833 6.761 3.845 1.00 0.00 WT1 H ATOM 18021 H2 TIP3 5991 -7.577 6.472 -0.139 1.00 0.00 WT1 H ATOM 18022 OH2 TIP3 5992 3.297 -8.664 -6.221 1.00 0.00 WT1 O ATOM 18023 H1 TIP3 5992 17.331 0.764 -7.279 1.00 0.00 WT1 H ATOM 18024 H2 TIP3 5992 -5.002 3.616 -3.581 1.00 0.00 WT1 H ATOM 18025 OH2 TIP3 5993 4.598 2.253 5.114 1.00 0.00 WT1 O ATOM 18026 H1 TIP3 5993 19.006 2.818 4.732 1.00 0.00 WT1 H ATOM 18027 H2 TIP3 5993 12.142 10.733 5.204 1.00 0.00 WT1 H ATOM 18028 OH2 TIP3 5994 4.334 -0.053 0.296 1.00 0.00 WT1 O ATOM 18029 H1 TIP3 5994 -15.970 1.331 0.481 1.00 0.00 WT1 H ATOM 18030 H2 TIP3 5994 -17.224 -0.191 5.320 1.00 0.00 WT1 H ATOM 18031 OH2 TIP3 5995 -1.829 1.024 -2.411 1.00 0.00 WT1 O ATOM 18032 H1 TIP3 5995 -16.326 4.033 -14.878 1.00 0.00 WT1 H ATOM 18033 H2 TIP3 5995 9.185 -6.036 17.062 1.00 0.00 WT1 H ATOM 18034 OH2 TIP3 5996 1.913 -5.785 -0.526 1.00 0.00 WT1 O ATOM 18035 H1 TIP3 5996 -3.221 -27.760 -12.908 1.00 0.00 WT1 H ATOM 18036 H2 TIP3 5996 7.283 14.907 -2.425 1.00 0.00 WT1 H ATOM 18037 OH2 TIP3 5997 -3.616 -1.649 0.816 1.00 0.00 WT1 O ATOM 18038 H1 TIP3 5997 3.912 6.733 -11.979 1.00 0.00 WT1 H ATOM 18039 H2 TIP3 5997 9.915 8.357 -25.171 1.00 0.00 WT1 H ATOM 18040 OH2 TIP3 5998 -4.386 5.099 -0.471 1.00 0.00 WT1 O ATOM 18041 H1 TIP3 5998 3.042 -5.537 0.030 1.00 0.00 WT1 H ATOM 18042 H2 TIP3 5998 2.740 -2.038 -10.726 1.00 0.00 WT1 H ATOM 18043 OH2 TIP3 5999 -3.410 -5.540 1.881 1.00 0.00 WT1 O ATOM 18044 H1 TIP3 5999 1.828 1.458 -7.345 1.00 0.00 WT1 H ATOM 18045 H2 TIP3 5999 10.229 -11.139 1.709 1.00 0.00 WT1 H ATOM 18046 OH2 TIP3 6001 -1.035 0.446 -1.986 1.00 0.00 WT1 O ATOM 18047 H1 TIP3 6001 0.638 -1.459 -3.631 1.00 0.00 WT1 H ATOM 18048 H2 TIP3 6001 1.205 -0.276 -6.525 1.00 0.00 WT1 H ATOM 18049 OH2 TIP3 6004 -0.178 -6.119 4.194 1.00 0.00 WT1 O ATOM 18050 H1 TIP3 6004 25.546 5.894 -20.767 1.00 0.00 WT1 H ATOM 18051 H2 TIP3 6004 -3.157 -0.575 5.913 1.00 0.00 WT1 H ATOM 18052 OH2 TIP3 6006 1.449 -2.775 -4.781 1.00 0.00 WT1 O ATOM 18053 H1 TIP3 6006 -0.678 0.351 3.800 1.00 0.00 WT1 H ATOM 18054 H2 TIP3 6006 -2.040 2.150 -10.041 1.00 0.00 WT1 H ATOM 18055 OH2 TIP3 6007 5.468 2.243 2.598 1.00 0.00 WT1 O ATOM 18056 H1 TIP3 6007 -2.539 4.640 20.234 1.00 0.00 WT1 H ATOM 18057 H2 TIP3 6007 19.281 -11.131 5.504 1.00 0.00 WT1 H ATOM 18058 OH2 TIP3 6009 0.312 -2.570 0.435 1.00 0.00 WT1 O ATOM 18059 H1 TIP3 6009 -7.056 -3.091 -14.099 1.00 0.00 WT1 H ATOM 18060 H2 TIP3 6009 3.560 3.205 14.857 1.00 0.00 WT1 H ATOM 18061 OH2 TIP3 6011 -1.672 4.034 3.162 1.00 0.00 WT1 O ATOM 18062 H1 TIP3 6011 -29.679 8.499 1.030 1.00 0.00 WT1 H ATOM 18063 H2 TIP3 6011 -6.302 17.360 -3.181 1.00 0.00 WT1 H ATOM 18064 OH2 TIP3 6013 -3.036 -1.557 2.143 1.00 0.00 WT1 O ATOM 18065 H1 TIP3 6013 -12.627 -16.165 8.138 1.00 0.00 WT1 H ATOM 18066 H2 TIP3 6013 4.344 18.495 1.372 1.00 0.00 WT1 H ATOM 18067 OH2 TIP3 6014 3.694 3.827 3.722 1.00 0.00 WT1 O ATOM 18068 H1 TIP3 6014 -14.712 -11.817 -4.189 1.00 0.00 WT1 H ATOM 18069 H2 TIP3 6014 16.023 14.855 25.350 1.00 0.00 WT1 H ATOM 18070 OH2 TIP3 6015 -2.872 0.726 3.887 1.00 0.00 WT1 O ATOM 18071 H1 TIP3 6015 -6.792 5.405 -27.103 1.00 0.00 WT1 H ATOM 18072 H2 TIP3 6015 -15.065 15.060 12.884 1.00 0.00 WT1 H ATOM 18073 OH2 TIP3 6016 1.290 1.908 0.519 1.00 0.00 WT1 O ATOM 18074 H1 TIP3 6016 22.256 -26.109 17.414 1.00 0.00 WT1 H ATOM 18075 H2 TIP3 6016 0.004 8.480 4.333 1.00 0.00 WT1 H ATOM 18076 OH2 TIP3 6018 -2.694 1.925 1.647 1.00 0.00 WT1 O ATOM 18077 H1 TIP3 6018 19.091 -24.013 -23.681 1.00 0.00 WT1 H ATOM 18078 H2 TIP3 6018 23.454 33.136 14.852 1.00 0.00 WT1 H ATOM 18079 OH2 TIP3 6019 -1.028 4.142 -4.009 1.00 0.00 WT1 O ATOM 18080 H1 TIP3 6019 -0.464 6.152 -6.139 1.00 0.00 WT1 H ATOM 18081 H2 TIP3 6019 -3.225 2.822 -1.949 1.00 0.00 WT1 H ATOM 18082 OH2 TIP3 6020 -0.100 -0.573 -2.630 1.00 0.00 WT1 O ATOM 18083 H1 TIP3 6020 -15.428 25.211 10.001 1.00 0.00 WT1 H ATOM 18084 H2 TIP3 6020 7.865 -4.662 -8.053 1.00 0.00 WT1 H ATOM 18085 OH2 TIP3 6021 -4.016 -7.970 0.694 1.00 0.00 WT1 O ATOM 18086 H1 TIP3 6021 -14.635 7.313 -19.091 1.00 0.00 WT1 H ATOM 18087 H2 TIP3 6021 10.226 10.614 23.696 1.00 0.00 WT1 H ATOM 18088 OH2 TIP3 6024 -7.629 -2.944 -5.207 1.00 0.00 WT1 O ATOM 18089 H1 TIP3 6024 8.606 -16.021 -7.736 1.00 0.00 WT1 H ATOM 18090 H2 TIP3 6024 11.466 4.882 -10.902 1.00 0.00 WT1 H ATOM 18091 OH2 TIP3 6026 -7.763 -1.847 -0.322 1.00 0.00 WT1 O ATOM 18092 H1 TIP3 6026 0.644 22.407 -12.187 1.00 0.00 WT1 H ATOM 18093 H2 TIP3 6026 4.803 0.006 -4.722 1.00 0.00 WT1 H ATOM 18094 OH2 TIP3 6027 3.323 7.274 -4.066 1.00 0.00 WT1 O ATOM 18095 H1 TIP3 6027 -7.972 -1.095 -8.273 1.00 0.00 WT1 H ATOM 18096 H2 TIP3 6027 1.453 11.359 10.915 1.00 0.00 WT1 H ATOM 18097 OH2 TIP3 6030 1.414 1.124 1.154 1.00 0.00 WT1 O ATOM 18098 H1 TIP3 6030 11.414 -19.746 -16.370 1.00 0.00 WT1 H ATOM 18099 H2 TIP3 6030 5.852 -2.624 -33.911 1.00 0.00 WT1 H ATOM 18100 OH2 TIP3 6031 -3.709 -4.066 -0.217 1.00 0.00 WT1 O ATOM 18101 H1 TIP3 6031 -0.467 23.213 -8.506 1.00 0.00 WT1 H ATOM 18102 H2 TIP3 6031 -11.888 7.511 1.518 1.00 0.00 WT1 H ATOM 18103 OH2 TIP3 6032 -5.821 -5.280 3.786 1.00 0.00 WT1 O ATOM 18104 H1 TIP3 6032 0.785 -16.129 20.577 1.00 0.00 WT1 H ATOM 18105 H2 TIP3 6032 -5.029 -7.146 3.526 1.00 0.00 WT1 H ATOM 18106 OH2 TIP3 6034 0.155 -4.567 2.947 1.00 0.00 WT1 O ATOM 18107 H1 TIP3 6034 -3.951 -3.779 5.404 1.00 0.00 WT1 H ATOM 18108 H2 TIP3 6034 5.314 -6.898 -8.173 1.00 0.00 WT1 H ATOM 18109 OH2 TIP3 6035 3.403 -3.120 -1.402 1.00 0.00 WT1 O ATOM 18110 H1 TIP3 6035 7.626 6.461 -3.692 1.00 0.00 WT1 H ATOM 18111 H2 TIP3 6035 1.569 -1.804 -5.398 1.00 0.00 WT1 H ATOM 18112 OH2 TIP3 6036 -0.110 -4.027 -1.575 1.00 0.00 WT1 O ATOM 18113 H1 TIP3 6036 21.616 -9.256 -15.187 1.00 0.00 WT1 H ATOM 18114 H2 TIP3 6036 -25.864 -7.823 -25.495 1.00 0.00 WT1 H ATOM 18115 OH2 TIP3 6037 6.860 -2.834 -4.948 1.00 0.00 WT1 O ATOM 18116 H1 TIP3 6037 -2.449 -11.836 -18.716 1.00 0.00 WT1 H ATOM 18117 H2 TIP3 6037 -6.416 2.210 9.167 1.00 0.00 WT1 H ATOM 18118 OH2 TIP3 6039 0.168 5.222 -4.504 1.00 0.00 WT1 O ATOM 18119 H1 TIP3 6039 9.073 19.178 -10.663 1.00 0.00 WT1 H ATOM 18120 H2 TIP3 6039 -1.873 35.159 1.461 1.00 0.00 WT1 H ATOM 18121 OH2 TIP3 6042 -9.772 5.319 4.728 1.00 0.00 WT1 O ATOM 18122 H1 TIP3 6042 -0.903 -17.934 -7.183 1.00 0.00 WT1 H ATOM 18123 H2 TIP3 6042 -32.200 0.603 -8.645 1.00 0.00 WT1 H ATOM 18124 OH2 TIP3 6044 2.557 -5.306 2.944 1.00 0.00 WT1 O ATOM 18125 H1 TIP3 6044 -19.405 -16.925 7.195 1.00 0.00 WT1 H ATOM 18126 H2 TIP3 6044 -1.284 -5.897 -0.143 1.00 0.00 WT1 H ATOM 18127 OH2 TIP3 6046 3.194 -4.121 1.633 1.00 0.00 WT1 O ATOM 18128 H1 TIP3 6046 30.189 -24.621 -14.233 1.00 0.00 WT1 H ATOM 18129 H2 TIP3 6046 32.962 12.372 14.868 1.00 0.00 WT1 H ATOM 18130 OH2 TIP3 6048 7.286 -4.852 -2.564 1.00 0.00 WT1 O ATOM 18131 H1 TIP3 6048 15.544 -4.585 24.785 1.00 0.00 WT1 H ATOM 18132 H2 TIP3 6048 4.140 -4.670 -6.557 1.00 0.00 WT1 H ATOM 18133 OH2 TIP3 6049 0.415 -2.672 -1.137 1.00 0.00 WT1 O ATOM 18134 H1 TIP3 6049 3.212 12.652 7.098 1.00 0.00 WT1 H ATOM 18135 H2 TIP3 6049 1.346 -11.052 -6.908 1.00 0.00 WT1 H ATOM 18136 OH2 TIP3 6050 -2.887 -10.791 -0.944 1.00 0.00 WT1 O ATOM 18137 H1 TIP3 6050 -14.269 14.885 8.967 1.00 0.00 WT1 H ATOM 18138 H2 TIP3 6050 15.239 -14.287 -7.140 1.00 0.00 WT1 H ATOM 18139 OH2 TIP3 6051 -5.702 3.272 -2.974 1.00 0.00 WT1 O ATOM 18140 H1 TIP3 6051 -2.851 25.304 -25.686 1.00 0.00 WT1 H ATOM 18141 H2 TIP3 6051 -34.932 6.553 8.066 1.00 0.00 WT1 H ATOM 18142 OH2 TIP3 6052 -8.756 2.145 1.783 1.00 0.00 WT1 O ATOM 18143 H1 TIP3 6052 -11.680 -7.204 12.541 1.00 0.00 WT1 H ATOM 18144 H2 TIP3 6052 -5.946 3.473 11.059 1.00 0.00 WT1 H ATOM 18145 OH2 TIP3 6053 -2.794 2.853 3.290 1.00 0.00 WT1 O ATOM 18146 H1 TIP3 6053 -30.222 -9.366 -17.906 1.00 0.00 WT1 H ATOM 18147 H2 TIP3 6053 21.801 -15.145 -4.196 1.00 0.00 WT1 H ATOM 18148 OH2 TIP3 6054 4.222 -0.935 -0.239 1.00 0.00 WT1 O ATOM 18149 H1 TIP3 6054 -4.893 -15.756 12.317 1.00 0.00 WT1 H ATOM 18150 H2 TIP3 6054 3.842 9.987 -6.196 1.00 0.00 WT1 H ATOM 18151 OH2 TIP3 6058 8.009 1.959 -5.780 1.00 0.00 WT1 O ATOM 18152 H1 TIP3 6058 -0.379 9.325 -8.583 1.00 0.00 WT1 H ATOM 18153 H2 TIP3 6058 4.438 23.372 -4.549 1.00 0.00 WT1 H ATOM 18154 OH2 TIP3 6059 6.753 -3.052 5.681 1.00 0.00 WT1 O ATOM 18155 H1 TIP3 6059 2.651 -7.477 -0.647 1.00 0.00 WT1 H ATOM 18156 H2 TIP3 6059 -8.091 -16.831 -14.464 1.00 0.00 WT1 H ATOM 18157 OH2 TIP3 6061 -4.473 3.872 -3.897 1.00 0.00 WT1 O ATOM 18158 H1 TIP3 6061 -4.461 18.008 4.035 1.00 0.00 WT1 H ATOM 18159 H2 TIP3 6061 -6.686 11.439 3.407 1.00 0.00 WT1 H ATOM 18160 OH2 TIP3 6068 1.444 -4.629 -0.349 1.00 0.00 WT1 O ATOM 18161 H1 TIP3 6068 10.633 6.417 12.447 1.00 0.00 WT1 H ATOM 18162 H2 TIP3 6068 9.605 -3.809 3.137 1.00 0.00 WT1 H ATOM 18163 OH2 TIP3 6069 2.663 0.882 -3.857 1.00 0.00 WT1 O ATOM 18164 H1 TIP3 6069 -5.834 -15.007 -15.732 1.00 0.00 WT1 H ATOM 18165 H2 TIP3 6069 3.128 7.303 -1.343 1.00 0.00 WT1 H ATOM 18166 OH2 TIP3 6070 2.839 3.134 3.387 1.00 0.00 WT1 O ATOM 18167 H1 TIP3 6070 12.613 -3.553 3.064 1.00 0.00 WT1 H ATOM 18168 H2 TIP3 6070 -6.512 3.503 7.375 1.00 0.00 WT1 H ATOM 18169 OH2 TIP3 6071 -8.690 4.444 0.724 1.00 0.00 WT1 O ATOM 18170 H1 TIP3 6071 -6.239 4.512 2.677 1.00 0.00 WT1 H ATOM 18171 H2 TIP3 6071 -12.817 8.183 -4.239 1.00 0.00 WT1 H ATOM 18172 OH2 TIP3 6072 0.285 3.261 3.757 1.00 0.00 WT1 O ATOM 18173 H1 TIP3 6072 4.905 -0.457 4.068 1.00 0.00 WT1 H ATOM 18174 H2 TIP3 6072 -0.984 4.408 0.638 1.00 0.00 WT1 H ATOM 18175 OH2 TIP3 6073 5.044 -3.543 2.705 1.00 0.00 WT1 O ATOM 18176 H1 TIP3 6073 -4.255 -1.749 1.961 1.00 0.00 WT1 H ATOM 18177 H2 TIP3 6073 17.243 -11.974 6.739 1.00 0.00 WT1 H ATOM 18178 OH2 TIP3 6074 2.030 -8.228 -4.119 1.00 0.00 WT1 O ATOM 18179 H1 TIP3 6074 -4.350 -8.684 -10.566 1.00 0.00 WT1 H ATOM 18180 H2 TIP3 6074 7.857 -19.475 3.891 1.00 0.00 WT1 H ATOM 18181 OH2 TIP3 6075 1.095 3.889 -3.333 1.00 0.00 WT1 O ATOM 18182 H1 TIP3 6075 -2.876 5.577 -2.812 1.00 0.00 WT1 H ATOM 18183 H2 TIP3 6075 0.729 3.006 -8.660 1.00 0.00 WT1 H ATOM 18184 OH2 TIP3 6077 1.149 4.634 -6.358 1.00 0.00 WT1 O ATOM 18185 H1 TIP3 6077 6.188 7.888 4.945 1.00 0.00 WT1 H ATOM 18186 H2 TIP3 6077 17.537 -8.918 11.122 1.00 0.00 WT1 H ATOM 18187 OH2 TIP3 6079 -6.235 6.440 4.417 1.00 0.00 WT1 O ATOM 18188 H1 TIP3 6079 -6.267 9.274 9.996 1.00 0.00 WT1 H ATOM 18189 H2 TIP3 6079 -2.486 -15.775 -3.229 1.00 0.00 WT1 H ATOM 18190 OH2 TIP3 6083 3.377 7.092 -2.009 1.00 0.00 WT1 O ATOM 18191 H1 TIP3 6083 -15.825 4.466 5.438 1.00 0.00 WT1 H ATOM 18192 H2 TIP3 6083 12.825 10.505 -25.647 1.00 0.00 WT1 H ATOM 18193 OH2 TIP3 6084 -4.863 -0.235 -6.633 1.00 0.00 WT1 O ATOM 18194 H1 TIP3 6084 -3.858 0.932 -1.831 1.00 0.00 WT1 H ATOM 18195 H2 TIP3 6084 -5.550 3.762 -9.630 1.00 0.00 WT1 H ATOM 18196 OH2 TIP3 6087 -14.476 2.149 -6.539 1.00 0.00 WT1 O ATOM 18197 H1 TIP3 6087 -1.853 10.252 -7.527 1.00 0.00 WT1 H ATOM 18198 H2 TIP3 6087 -32.477 -9.555 16.933 1.00 0.00 WT1 H ATOM 18199 OH2 TIP3 6088 4.554 2.050 1.010 1.00 0.00 WT1 O ATOM 18200 H1 TIP3 6088 -5.307 21.030 -1.178 1.00 0.00 WT1 H ATOM 18201 H2 TIP3 6088 6.369 -7.570 -7.164 1.00 0.00 WT1 H ATOM 18202 OH2 TIP3 6089 -1.029 4.974 2.359 1.00 0.00 WT1 O ATOM 18203 H1 TIP3 6089 -12.494 6.932 1.116 1.00 0.00 WT1 H ATOM 18204 H2 TIP3 6089 -5.527 1.796 14.908 1.00 0.00 WT1 H ATOM 18205 OH2 TIP3 6090 1.762 -8.153 -4.915 1.00 0.00 WT1 O ATOM 18206 H1 TIP3 6090 2.470 -7.412 -9.572 1.00 0.00 WT1 H ATOM 18207 H2 TIP3 6090 31.765 3.206 -0.969 1.00 0.00 WT1 H ATOM 18208 OH2 TIP3 6091 -3.894 7.053 2.068 1.00 0.00 WT1 O ATOM 18209 H1 TIP3 6091 10.772 20.742 6.979 1.00 0.00 WT1 H ATOM 18210 H2 TIP3 6091 5.346 -8.952 0.092 1.00 0.00 WT1 H ATOM 18211 OH2 TIP3 6092 -1.825 0.220 -0.090 1.00 0.00 WT1 O ATOM 18212 H1 TIP3 6092 6.691 -7.153 9.515 1.00 0.00 WT1 H ATOM 18213 H2 TIP3 6092 -2.822 3.015 -4.468 1.00 0.00 WT1 H ATOM 18214 OH2 TIP3 6093 2.445 -1.665 -1.019 1.00 0.00 WT1 O ATOM 18215 H1 TIP3 6093 8.055 12.606 6.362 1.00 0.00 WT1 H ATOM 18216 H2 TIP3 6093 11.140 -15.975 5.757 1.00 0.00 WT1 H ATOM 18217 OH2 TIP3 6095 0.432 5.747 0.918 1.00 0.00 WT1 O ATOM 18218 H1 TIP3 6095 -2.383 16.987 -6.649 1.00 0.00 WT1 H ATOM 18219 H2 TIP3 6095 8.228 -2.067 -6.830 1.00 0.00 WT1 H ATOM 18220 OH2 TIP3 6096 2.552 0.186 -3.164 1.00 0.00 WT1 O ATOM 18221 H1 TIP3 6096 -17.186 -8.653 -8.745 1.00 0.00 WT1 H ATOM 18222 H2 TIP3 6096 8.466 7.887 -6.318 1.00 0.00 WT1 H ATOM 18223 OH2 TIP3 6097 -6.016 3.011 0.518 1.00 0.00 WT1 O ATOM 18224 H1 TIP3 6097 0.844 12.871 -14.027 1.00 0.00 WT1 H ATOM 18225 H2 TIP3 6097 -11.392 -5.945 12.987 1.00 0.00 WT1 H ATOM 18226 OH2 TIP3 6098 -2.464 0.404 4.465 1.00 0.00 WT1 O ATOM 18227 H1 TIP3 6098 29.599 25.706 -2.748 1.00 0.00 WT1 H ATOM 18228 H2 TIP3 6098 2.569 -10.847 -20.929 1.00 0.00 WT1 H ATOM 18229 OH2 TIP3 6099 -4.804 -1.160 -4.902 1.00 0.00 WT1 O ATOM 18230 H1 TIP3 6099 -11.188 -4.235 -29.793 1.00 0.00 WT1 H ATOM 18231 H2 TIP3 6099 -6.507 -27.274 7.435 1.00 0.00 WT1 H ATOM 18232 OH2 TIP3 6101 0.089 -5.704 -5.825 1.00 0.00 WT1 O ATOM 18233 H1 TIP3 6101 3.830 -17.138 -10.504 1.00 0.00 WT1 H ATOM 18234 H2 TIP3 6101 14.598 3.545 0.388 1.00 0.00 WT1 H ATOM 18235 OH2 TIP3 6102 -1.201 -3.360 2.629 1.00 0.00 WT1 O ATOM 18236 H1 TIP3 6102 -6.093 -5.835 0.250 1.00 0.00 WT1 H ATOM 18237 H2 TIP3 6102 -9.873 4.419 -4.804 1.00 0.00 WT1 H ATOM 18238 OH2 TIP3 6105 0.438 0.199 -4.725 1.00 0.00 WT1 O ATOM 18239 H1 TIP3 6105 0.535 -18.450 -7.253 1.00 0.00 WT1 H ATOM 18240 H2 TIP3 6105 0.953 14.540 -2.095 1.00 0.00 WT1 H ATOM 18241 OH2 TIP3 6106 0.786 4.884 -2.925 1.00 0.00 WT1 O ATOM 18242 H1 TIP3 6106 0.184 -3.059 9.971 1.00 0.00 WT1 H ATOM 18243 H2 TIP3 6106 20.890 2.144 11.101 1.00 0.00 WT1 H ATOM 18244 OH2 TIP3 6108 1.318 1.235 4.202 1.00 0.00 WT1 O ATOM 18245 H1 TIP3 6108 -4.350 -2.940 4.935 1.00 0.00 WT1 H ATOM 18246 H2 TIP3 6108 -3.013 0.022 -0.631 1.00 0.00 WT1 H ATOM 18247 OH2 TIP3 6110 -4.907 1.262 -1.429 1.00 0.00 WT1 O ATOM 18248 H1 TIP3 6110 -18.501 -14.556 1.825 1.00 0.00 WT1 H ATOM 18249 H2 TIP3 6110 19.645 -23.472 6.953 1.00 0.00 WT1 H ATOM 18250 OH2 TIP3 6111 -3.098 -2.432 -0.168 1.00 0.00 WT1 O ATOM 18251 H1 TIP3 6111 1.641 2.792 -0.075 1.00 0.00 WT1 H ATOM 18252 H2 TIP3 6111 -20.382 0.386 -23.556 1.00 0.00 WT1 H ATOM 18253 OH2 TIP3 6112 5.391 5.853 5.678 1.00 0.00 WT1 O ATOM 18254 H1 TIP3 6112 10.128 13.772 20.845 1.00 0.00 WT1 H ATOM 18255 H2 TIP3 6112 2.209 0.107 -6.952 1.00 0.00 WT1 H ATOM 18256 OH2 TIP3 6113 2.499 0.303 -3.870 1.00 0.00 WT1 O ATOM 18257 H1 TIP3 6113 11.008 -10.860 9.597 1.00 0.00 WT1 H ATOM 18258 H2 TIP3 6113 -2.190 7.980 -16.704 1.00 0.00 WT1 H ATOM 18259 OH2 TIP3 6116 0.400 -6.607 -1.738 1.00 0.00 WT1 O ATOM 18260 H1 TIP3 6116 4.200 -17.022 20.232 1.00 0.00 WT1 H ATOM 18261 H2 TIP3 6116 2.505 14.638 3.210 1.00 0.00 WT1 H ATOM 18262 OH2 TIP3 6117 -1.817 -1.846 -4.152 1.00 0.00 WT1 O ATOM 18263 H1 TIP3 6117 5.186 1.424 -9.336 1.00 0.00 WT1 H ATOM 18264 H2 TIP3 6117 -2.555 -8.788 -2.636 1.00 0.00 WT1 H ATOM 18265 OH2 TIP3 6120 -5.232 -0.325 3.870 1.00 0.00 WT1 O ATOM 18266 H1 TIP3 6120 -3.141 -1.749 8.873 1.00 0.00 WT1 H ATOM 18267 H2 TIP3 6120 -6.163 -3.893 0.351 1.00 0.00 WT1 H ATOM 18268 OH2 TIP3 6122 -1.640 5.224 0.885 1.00 0.00 WT1 O ATOM 18269 H1 TIP3 6122 2.544 5.874 -2.202 1.00 0.00 WT1 H ATOM 18270 H2 TIP3 6122 1.885 -3.697 4.058 1.00 0.00 WT1 H ATOM 18271 OH2 TIP3 6125 -2.782 -0.817 -1.620 1.00 0.00 WT1 O ATOM 18272 H1 TIP3 6125 -14.008 -16.701 -12.412 1.00 0.00 WT1 H ATOM 18273 H2 TIP3 6125 8.037 -10.709 4.657 1.00 0.00 WT1 H ATOM 18274 OH2 TIP3 6126 -5.490 -5.388 -3.773 1.00 0.00 WT1 O ATOM 18275 H1 TIP3 6126 11.307 -11.457 -6.309 1.00 0.00 WT1 H ATOM 18276 H2 TIP3 6126 -5.420 5.155 -4.698 1.00 0.00 WT1 H ATOM 18277 OH2 TIP3 6127 3.294 0.066 -1.271 1.00 0.00 WT1 O ATOM 18278 H1 TIP3 6127 -6.394 -34.925 -5.544 1.00 0.00 WT1 H ATOM 18279 H2 TIP3 6127 17.715 0.708 -33.896 1.00 0.00 WT1 H ATOM 18280 OH2 TIP3 6130 -6.850 -2.021 -3.146 1.00 0.00 WT1 O ATOM 18281 H1 TIP3 6130 -13.420 1.750 -9.268 1.00 0.00 WT1 H ATOM 18282 H2 TIP3 6130 -23.655 4.142 -8.287 1.00 0.00 WT1 H ATOM 18283 OH2 TIP3 6131 7.508 3.504 2.460 1.00 0.00 WT1 O ATOM 18284 H1 TIP3 6131 -6.420 4.338 -9.703 1.00 0.00 WT1 H ATOM 18285 H2 TIP3 6131 -30.825 1.503 5.896 1.00 0.00 WT1 H ATOM 18286 OH2 TIP3 6132 3.336 -4.153 -0.625 1.00 0.00 WT1 O ATOM 18287 H1 TIP3 6132 -11.342 1.415 -13.837 1.00 0.00 WT1 H ATOM 18288 H2 TIP3 6132 11.863 -0.628 19.289 1.00 0.00 WT1 H ATOM 18289 OH2 TIP3 6133 -3.080 -0.208 0.494 1.00 0.00 WT1 O ATOM 18290 H1 TIP3 6133 10.356 -12.142 1.271 1.00 0.00 WT1 H ATOM 18291 H2 TIP3 6133 -15.188 10.888 0.106 1.00 0.00 WT1 H ATOM 18292 OH2 TIP3 6134 2.690 -3.942 -1.145 1.00 0.00 WT1 O ATOM 18293 H1 TIP3 6134 -5.793 -1.644 -1.081 1.00 0.00 WT1 H ATOM 18294 H2 TIP3 6134 -24.558 -30.050 -5.502 1.00 0.00 WT1 H ATOM 18295 OH2 TIP3 6135 1.061 -1.523 2.785 1.00 0.00 WT1 O ATOM 18296 H1 TIP3 6135 -0.666 -4.362 7.653 1.00 0.00 WT1 H ATOM 18297 H2 TIP3 6135 1.445 0.336 2.391 1.00 0.00 WT1 H ATOM 18298 OH2 TIP3 6136 1.894 -5.397 -4.796 1.00 0.00 WT1 O ATOM 18299 H1 TIP3 6136 9.766 3.976 10.465 1.00 0.00 WT1 H ATOM 18300 H2 TIP3 6136 5.898 0.679 5.804 1.00 0.00 WT1 H ATOM 18301 OH2 TIP3 6137 -1.116 7.310 -1.616 1.00 0.00 WT1 O ATOM 18302 H1 TIP3 6137 -5.043 -19.571 -3.547 1.00 0.00 WT1 H ATOM 18303 H2 TIP3 6137 -6.283 -14.315 -1.922 1.00 0.00 WT1 H ATOM 18304 OH2 TIP3 6138 -3.991 -6.855 -0.935 1.00 0.00 WT1 O ATOM 18305 H1 TIP3 6138 6.647 2.364 2.819 1.00 0.00 WT1 H ATOM 18306 H2 TIP3 6138 -2.824 2.540 9.234 1.00 0.00 WT1 H ATOM 18307 OH2 TIP3 6139 0.221 1.366 1.220 1.00 0.00 WT1 O ATOM 18308 H1 TIP3 6139 -18.029 21.841 10.507 1.00 0.00 WT1 H ATOM 18309 H2 TIP3 6139 -2.963 -0.229 2.469 1.00 0.00 WT1 H ATOM 18310 OH2 TIP3 6141 0.528 -2.595 5.533 1.00 0.00 WT1 O ATOM 18311 H1 TIP3 6141 -11.079 1.761 7.955 1.00 0.00 WT1 H ATOM 18312 H2 TIP3 6141 -9.468 -6.646 -11.676 1.00 0.00 WT1 H ATOM 18313 OH2 TIP3 6144 -0.806 -8.356 3.885 1.00 0.00 WT1 O ATOM 18314 H1 TIP3 6144 15.755 -10.847 -6.370 1.00 0.00 WT1 H ATOM 18315 H2 TIP3 6144 -5.681 -4.084 14.934 1.00 0.00 WT1 H ATOM 18316 OH2 TIP3 6146 -3.435 5.981 1.913 1.00 0.00 WT1 O ATOM 18317 H1 TIP3 6146 -1.055 0.376 0.056 1.00 0.00 WT1 H ATOM 18318 H2 TIP3 6146 9.138 -12.964 -13.671 1.00 0.00 WT1 H ATOM 18319 OH2 TIP3 6147 -2.210 2.823 -1.810 1.00 0.00 WT1 O ATOM 18320 H1 TIP3 6147 -4.815 13.784 13.195 1.00 0.00 WT1 H ATOM 18321 H2 TIP3 6147 12.620 -3.063 -14.803 1.00 0.00 WT1 H ATOM 18322 OH2 TIP3 6148 2.163 -6.933 0.223 1.00 0.00 WT1 O ATOM 18323 H1 TIP3 6148 14.316 8.587 -1.931 1.00 0.00 WT1 H ATOM 18324 H2 TIP3 6148 2.329 -17.798 -10.289 1.00 0.00 WT1 H ATOM 18325 OH2 TIP3 6150 -0.932 -3.608 4.621 1.00 0.00 WT1 O ATOM 18326 H1 TIP3 6150 -10.310 -5.656 17.081 1.00 0.00 WT1 H ATOM 18327 H2 TIP3 6150 -0.381 12.246 3.280 1.00 0.00 WT1 H ATOM 18328 OH2 TIP3 6151 6.746 6.146 0.076 1.00 0.00 WT1 O ATOM 18329 H1 TIP3 6151 21.612 15.998 1.763 1.00 0.00 WT1 H ATOM 18330 H2 TIP3 6151 17.926 0.596 23.390 1.00 0.00 WT1 H ATOM 18331 OH2 TIP3 6152 -1.915 -0.489 -1.851 1.00 0.00 WT1 O ATOM 18332 H1 TIP3 6152 16.149 4.077 -24.782 1.00 0.00 WT1 H ATOM 18333 H2 TIP3 6152 9.421 2.026 6.870 1.00 0.00 WT1 H ATOM 18334 OH2 TIP3 6153 -1.851 -0.571 -5.393 1.00 0.00 WT1 O ATOM 18335 H1 TIP3 6153 -9.447 -8.334 -22.013 1.00 0.00 WT1 H ATOM 18336 H2 TIP3 6153 1.412 0.346 0.810 1.00 0.00 WT1 H ATOM 18337 OH2 TIP3 6154 6.899 -0.249 2.826 1.00 0.00 WT1 O ATOM 18338 H1 TIP3 6154 5.109 34.721 -12.560 1.00 0.00 WT1 H ATOM 18339 H2 TIP3 6154 -25.872 11.645 -2.891 1.00 0.00 WT1 H ATOM 18340 OH2 TIP3 6155 -0.602 -6.153 -7.545 1.00 0.00 WT1 O ATOM 18341 H1 TIP3 6155 15.322 -23.544 -0.615 1.00 0.00 WT1 H ATOM 18342 H2 TIP3 6155 -17.832 -2.609 6.856 1.00 0.00 WT1 H ATOM 18343 OH2 TIP3 6156 1.921 -4.235 5.101 1.00 0.00 WT1 O ATOM 18344 H1 TIP3 6156 -10.098 -2.923 1.600 1.00 0.00 WT1 H ATOM 18345 H2 TIP3 6156 6.090 -5.007 5.609 1.00 0.00 WT1 H ATOM 18346 OH2 TIP3 6157 1.053 2.739 2.368 1.00 0.00 WT1 O ATOM 18347 H1 TIP3 6157 1.307 -42.799 4.558 1.00 0.00 WT1 H ATOM 18348 H2 TIP3 6157 0.500 -1.453 7.409 1.00 0.00 WT1 H ATOM 18349 OH2 TIP3 6158 8.861 -0.244 -3.535 1.00 0.00 WT1 O ATOM 18350 H1 TIP3 6158 6.071 1.982 -9.906 1.00 0.00 WT1 H ATOM 18351 H2 TIP3 6158 -6.144 -0.805 7.925 1.00 0.00 WT1 H ATOM 18352 OH2 TIP3 6159 -7.692 7.679 -2.876 1.00 0.00 WT1 O ATOM 18353 H1 TIP3 6159 12.764 -19.597 -13.992 1.00 0.00 WT1 H ATOM 18354 H2 TIP3 6159 3.381 -8.382 -20.745 1.00 0.00 WT1 H ATOM 18355 OH2 TIP3 6160 2.499 -3.852 0.368 1.00 0.00 WT1 O ATOM 18356 H1 TIP3 6160 -6.060 -5.248 -25.784 1.00 0.00 WT1 H ATOM 18357 H2 TIP3 6160 4.548 -7.673 1.495 1.00 0.00 WT1 H ATOM 18358 OH2 TIP3 6162 3.533 -5.035 -0.973 1.00 0.00 WT1 O ATOM 18359 H1 TIP3 6162 -14.961 17.480 -0.894 1.00 0.00 WT1 H ATOM 18360 H2 TIP3 6162 17.822 -3.434 14.094 1.00 0.00 WT1 H ATOM 18361 OH2 TIP3 6163 1.006 4.492 -0.982 1.00 0.00 WT1 O ATOM 18362 H1 TIP3 6163 -14.591 6.464 -16.297 1.00 0.00 WT1 H ATOM 18363 H2 TIP3 6163 13.598 -0.275 -2.677 1.00 0.00 WT1 H ATOM 18364 OH2 TIP3 6164 -2.891 -1.649 3.871 1.00 0.00 WT1 O ATOM 18365 H1 TIP3 6164 -20.489 6.854 -17.646 1.00 0.00 WT1 H ATOM 18366 H2 TIP3 6164 -8.314 2.721 -4.545 1.00 0.00 WT1 H ATOM 18367 OH2 TIP3 6166 1.153 2.886 -4.156 1.00 0.00 WT1 O ATOM 18368 H1 TIP3 6166 15.495 -8.305 -15.559 1.00 0.00 WT1 H ATOM 18369 H2 TIP3 6166 -1.605 15.432 -0.050 1.00 0.00 WT1 H ATOM 18370 OH2 TIP3 6167 -2.496 1.150 -2.920 1.00 0.00 WT1 O ATOM 18371 H1 TIP3 6167 -14.643 26.552 2.771 1.00 0.00 WT1 H ATOM 18372 H2 TIP3 6167 15.946 -1.871 -1.914 1.00 0.00 WT1 H ATOM 18373 OH2 TIP3 6171 -0.399 -1.026 3.479 1.00 0.00 WT1 O ATOM 18374 H1 TIP3 6171 4.790 -10.643 15.213 1.00 0.00 WT1 H ATOM 18375 H2 TIP3 6171 3.117 -4.662 17.612 1.00 0.00 WT1 H ATOM 18376 OH2 TIP3 6172 2.374 4.193 -2.715 1.00 0.00 WT1 O ATOM 18377 H1 TIP3 6172 -14.323 -0.942 17.479 1.00 0.00 WT1 H ATOM 18378 H2 TIP3 6172 -15.139 1.888 25.187 1.00 0.00 WT1 H ATOM 18379 OH2 TIP3 6175 2.674 -0.263 -8.534 1.00 0.00 WT1 O ATOM 18380 H1 TIP3 6175 15.783 14.823 -4.589 1.00 0.00 WT1 H ATOM 18381 H2 TIP3 6175 7.372 -15.680 -18.978 1.00 0.00 WT1 H ATOM 18382 OH2 TIP3 6176 -0.531 0.100 -1.655 1.00 0.00 WT1 O ATOM 18383 H1 TIP3 6176 -21.459 -2.839 1.025 1.00 0.00 WT1 H ATOM 18384 H2 TIP3 6176 -3.003 33.660 6.594 1.00 0.00 WT1 H ATOM 18385 OH2 TIP3 6177 4.079 2.683 3.581 1.00 0.00 WT1 O ATOM 18386 H1 TIP3 6177 5.246 11.641 -7.451 1.00 0.00 WT1 H ATOM 18387 H2 TIP3 6177 10.742 8.692 0.200 1.00 0.00 WT1 H ATOM 18388 OH2 TIP3 6178 -1.541 -3.043 1.452 1.00 0.00 WT1 O ATOM 18389 H1 TIP3 6178 1.407 12.934 10.952 1.00 0.00 WT1 H ATOM 18390 H2 TIP3 6178 14.052 -13.842 0.399 1.00 0.00 WT1 H ATOM 18391 OH2 TIP3 6180 -3.353 3.182 5.016 1.00 0.00 WT1 O ATOM 18392 H1 TIP3 6180 -7.827 -0.240 15.377 1.00 0.00 WT1 H ATOM 18393 H2 TIP3 6180 -11.848 8.963 -0.508 1.00 0.00 WT1 H ATOM 18394 OH2 TIP3 6181 3.851 4.258 -0.519 1.00 0.00 WT1 O ATOM 18395 H1 TIP3 6181 5.333 -6.701 1.474 1.00 0.00 WT1 H ATOM 18396 H2 TIP3 6181 13.848 8.316 -10.442 1.00 0.00 WT1 H ATOM 18397 OH2 TIP3 6182 0.514 -0.912 -0.349 1.00 0.00 WT1 O ATOM 18398 H1 TIP3 6182 5.142 18.021 4.095 1.00 0.00 WT1 H ATOM 18399 H2 TIP3 6182 -10.887 -16.445 3.001 1.00 0.00 WT1 H ATOM 18400 OH2 TIP3 6183 2.859 -0.356 -3.610 1.00 0.00 WT1 O ATOM 18401 H1 TIP3 6183 -3.430 8.505 -28.761 1.00 0.00 WT1 H ATOM 18402 H2 TIP3 6183 8.159 8.543 21.675 1.00 0.00 WT1 H ATOM 18403 OH2 TIP3 6184 4.585 5.811 1.294 1.00 0.00 WT1 O ATOM 18404 H1 TIP3 6184 2.849 -5.963 17.951 1.00 0.00 WT1 H ATOM 18405 H2 TIP3 6184 15.225 8.853 -22.362 1.00 0.00 WT1 H ATOM 18406 OH2 TIP3 6186 2.940 0.505 2.645 1.00 0.00 WT1 O ATOM 18407 H1 TIP3 6186 8.832 13.525 3.800 1.00 0.00 WT1 H ATOM 18408 H2 TIP3 6186 4.444 4.610 1.859 1.00 0.00 WT1 H ATOM 18409 OH2 TIP3 6187 0.346 -4.390 0.774 1.00 0.00 WT1 O ATOM 18410 H1 TIP3 6187 -6.710 -3.872 7.887 1.00 0.00 WT1 H ATOM 18411 H2 TIP3 6187 -2.681 3.558 22.520 1.00 0.00 WT1 H ATOM 18412 OH2 TIP3 6188 -2.564 5.070 -0.456 1.00 0.00 WT1 O ATOM 18413 H1 TIP3 6188 10.317 15.213 -4.210 1.00 0.00 WT1 H ATOM 18414 H2 TIP3 6188 -19.043 -14.026 -0.052 1.00 0.00 WT1 H ATOM 18415 OH2 TIP3 6189 -2.482 -2.214 4.468 1.00 0.00 WT1 O ATOM 18416 H1 TIP3 6189 -15.373 -11.313 13.992 1.00 0.00 WT1 H ATOM 18417 H2 TIP3 6189 -10.816 -18.222 2.527 1.00 0.00 WT1 H ATOM 18418 OH2 TIP3 6191 1.810 -2.255 4.557 1.00 0.00 WT1 O ATOM 18419 H1 TIP3 6191 -0.728 5.254 4.478 1.00 0.00 WT1 H ATOM 18420 H2 TIP3 6191 8.993 -25.724 8.590 1.00 0.00 WT1 H ATOM 18421 OH2 TIP3 6192 1.210 5.850 3.870 1.00 0.00 WT1 O ATOM 18422 H1 TIP3 6192 -1.193 1.020 8.490 1.00 0.00 WT1 H ATOM 18423 H2 TIP3 6192 0.179 -5.833 -1.488 1.00 0.00 WT1 H ATOM 18424 OH2 TIP3 6193 0.054 1.072 -0.192 1.00 0.00 WT1 O ATOM 18425 H1 TIP3 6193 -13.036 -8.258 0.330 1.00 0.00 WT1 H ATOM 18426 H2 TIP3 6193 -0.952 -1.120 -7.684 1.00 0.00 WT1 H ATOM 18427 OH2 TIP3 6194 2.593 4.887 2.523 1.00 0.00 WT1 O ATOM 18428 H1 TIP3 6194 -0.748 8.365 -7.494 1.00 0.00 WT1 H ATOM 18429 H2 TIP3 6194 7.000 6.377 12.061 1.00 0.00 WT1 H ATOM 18430 OH2 TIP3 6195 3.732 -3.790 -0.610 1.00 0.00 WT1 O ATOM 18431 H1 TIP3 6195 -0.460 -7.672 -3.064 1.00 0.00 WT1 H ATOM 18432 H2 TIP3 6195 4.066 -2.121 3.112 1.00 0.00 WT1 H ATOM 18433 OH2 TIP3 6196 0.080 2.010 -1.859 1.00 0.00 WT1 O ATOM 18434 H1 TIP3 6196 -7.870 -0.754 -3.662 1.00 0.00 WT1 H ATOM 18435 H2 TIP3 6196 14.145 -19.211 17.228 1.00 0.00 WT1 H ATOM 18436 OH2 TIP3 6197 -0.027 1.890 -3.031 1.00 0.00 WT1 O ATOM 18437 H1 TIP3 6197 -24.824 9.683 4.978 1.00 0.00 WT1 H ATOM 18438 H2 TIP3 6197 21.735 20.014 9.962 1.00 0.00 WT1 H ATOM 18439 OH2 TIP3 6198 -6.741 3.468 1.049 1.00 0.00 WT1 O ATOM 18440 H1 TIP3 6198 6.718 -8.234 -10.181 1.00 0.00 WT1 H ATOM 18441 H2 TIP3 6198 -13.198 14.149 -2.962 1.00 0.00 WT1 H ATOM 18442 OH2 TIP3 6199 9.328 -1.437 -1.648 1.00 0.00 WT1 O ATOM 18443 H1 TIP3 6199 14.122 -19.558 15.300 1.00 0.00 WT1 H ATOM 18444 H2 TIP3 6199 -0.500 -17.161 -17.994 1.00 0.00 WT1 H ATOM 18445 OH2 TIP3 6200 -3.909 -1.854 -1.423 1.00 0.00 WT1 O ATOM 18446 H1 TIP3 6200 3.560 -0.431 -20.858 1.00 0.00 WT1 H ATOM 18447 H2 TIP3 6200 -0.230 -15.913 5.120 1.00 0.00 WT1 H ATOM 18448 OH2 TIP3 6201 5.479 -3.150 -7.772 1.00 0.00 WT1 O ATOM 18449 H1 TIP3 6201 5.583 -5.073 -3.387 1.00 0.00 WT1 H ATOM 18450 H2 TIP3 6201 1.631 -0.110 -7.588 1.00 0.00 WT1 H ATOM 18451 OH2 TIP3 6202 0.532 2.266 -3.692 1.00 0.00 WT1 O ATOM 18452 H1 TIP3 6202 -16.568 5.138 -8.063 1.00 0.00 WT1 H ATOM 18453 H2 TIP3 6202 1.816 -1.121 0.046 1.00 0.00 WT1 H ATOM 18454 OH2 TIP3 6203 -0.725 5.914 -1.714 1.00 0.00 WT1 O ATOM 18455 H1 TIP3 6203 -14.998 -6.600 -5.603 1.00 0.00 WT1 H ATOM 18456 H2 TIP3 6203 -6.432 10.838 26.764 1.00 0.00 WT1 H ATOM 18457 OH2 TIP3 6204 5.362 -1.761 1.975 1.00 0.00 WT1 O ATOM 18458 H1 TIP3 6204 15.936 31.205 -23.052 1.00 0.00 WT1 H ATOM 18459 H2 TIP3 6204 -16.381 -20.835 13.945 1.00 0.00 WT1 H ATOM 18460 OH2 TIP3 6205 3.737 3.366 0.580 1.00 0.00 WT1 O ATOM 18461 H1 TIP3 6205 11.827 21.461 -4.891 1.00 0.00 WT1 H ATOM 18462 H2 TIP3 6205 7.410 9.680 -4.980 1.00 0.00 WT1 H ATOM 18463 OH2 TIP3 6207 -0.238 1.549 4.098 1.00 0.00 WT1 O ATOM 18464 H1 TIP3 6207 0.183 1.132 7.154 1.00 0.00 WT1 H ATOM 18465 H2 TIP3 6207 2.295 3.352 -11.652 1.00 0.00 WT1 H ATOM 18466 OH2 TIP3 6208 2.912 0.922 -1.762 1.00 0.00 WT1 O ATOM 18467 H1 TIP3 6208 -2.749 -1.808 4.612 1.00 0.00 WT1 H ATOM 18468 H2 TIP3 6208 16.597 -6.030 -4.823 1.00 0.00 WT1 H ATOM 18469 OH2 TIP3 6209 6.474 5.747 5.918 1.00 0.00 WT1 O ATOM 18470 H1 TIP3 6209 -4.112 16.823 6.577 1.00 0.00 WT1 H ATOM 18471 H2 TIP3 6209 16.814 12.072 2.180 1.00 0.00 WT1 H ATOM 18472 OH2 TIP3 6210 -1.716 -3.542 -1.940 1.00 0.00 WT1 O ATOM 18473 H1 TIP3 6210 3.357 7.114 9.067 1.00 0.00 WT1 H ATOM 18474 H2 TIP3 6210 -6.390 1.908 6.427 1.00 0.00 WT1 H ATOM 18475 OH2 TIP3 6211 -1.188 1.911 -3.317 1.00 0.00 WT1 O ATOM 18476 H1 TIP3 6211 -1.187 1.458 0.216 1.00 0.00 WT1 H ATOM 18477 H2 TIP3 6211 0.191 -14.339 14.727 1.00 0.00 WT1 H ATOM 18478 OH2 TIP3 6212 1.276 -6.320 1.117 1.00 0.00 WT1 O ATOM 18479 H1 TIP3 6212 -3.385 -9.261 3.586 1.00 0.00 WT1 H ATOM 18480 H2 TIP3 6212 5.856 -10.225 -0.434 1.00 0.00 WT1 H ATOM 18481 OH2 TIP3 6213 4.485 -10.331 -0.089 1.00 0.00 WT1 O ATOM 18482 H1 TIP3 6213 4.511 -1.862 1.897 1.00 0.00 WT1 H ATOM 18483 H2 TIP3 6213 -0.719 -15.917 7.527 1.00 0.00 WT1 H ATOM 18484 OH2 TIP3 6214 -7.873 -0.166 -2.575 1.00 0.00 WT1 O ATOM 18485 H1 TIP3 6214 -17.208 -0.407 19.151 1.00 0.00 WT1 H ATOM 18486 H2 TIP3 6214 -3.787 -15.308 -8.571 1.00 0.00 WT1 H ATOM 18487 OH2 TIP3 6215 -7.763 -0.632 -2.839 1.00 0.00 WT1 O ATOM 18488 H1 TIP3 6215 5.794 -9.737 -4.672 1.00 0.00 WT1 H ATOM 18489 H2 TIP3 6215 10.568 9.600 6.226 1.00 0.00 WT1 H ATOM 18490 OH2 TIP3 6216 -0.508 -3.378 -4.086 1.00 0.00 WT1 O ATOM 18491 H1 TIP3 6216 -4.826 -6.458 -9.139 1.00 0.00 WT1 H ATOM 18492 H2 TIP3 6216 10.685 2.248 -14.049 1.00 0.00 WT1 H ATOM 18493 OH2 TIP3 6217 2.671 -6.877 1.875 1.00 0.00 WT1 O ATOM 18494 H1 TIP3 6217 -6.776 -13.122 -2.432 1.00 0.00 WT1 H ATOM 18495 H2 TIP3 6217 13.954 5.356 13.487 1.00 0.00 WT1 H ATOM 18496 OH2 TIP3 6218 -2.938 -1.404 3.509 1.00 0.00 WT1 O ATOM 18497 H1 TIP3 6218 12.197 10.961 -6.199 1.00 0.00 WT1 H ATOM 18498 H2 TIP3 6218 -6.779 -1.213 6.959 1.00 0.00 WT1 H ATOM 18499 OH2 TIP3 6219 -7.874 3.913 -0.090 1.00 0.00 WT1 O ATOM 18500 H1 TIP3 6219 12.648 -2.258 2.517 1.00 0.00 WT1 H ATOM 18501 H2 TIP3 6219 -3.628 2.956 2.291 1.00 0.00 WT1 H ATOM 18502 OH2 TIP3 6220 1.162 0.737 1.087 1.00 0.00 WT1 O ATOM 18503 H1 TIP3 6220 -5.135 -13.302 -4.528 1.00 0.00 WT1 H ATOM 18504 H2 TIP3 6220 0.860 -8.879 5.075 1.00 0.00 WT1 H ATOM 18505 OH2 TIP3 6221 -0.840 -2.734 -7.313 1.00 0.00 WT1 O ATOM 18506 H1 TIP3 6221 16.724 -16.824 -15.842 1.00 0.00 WT1 H ATOM 18507 H2 TIP3 6221 16.721 3.203 -7.956 1.00 0.00 WT1 H ATOM 18508 OH2 TIP3 6223 -1.186 1.416 -2.587 1.00 0.00 WT1 O ATOM 18509 H1 TIP3 6223 5.719 -3.991 -3.369 1.00 0.00 WT1 H ATOM 18510 H2 TIP3 6223 -1.858 4.182 2.579 1.00 0.00 WT1 H ATOM 18511 OH2 TIP3 6224 0.306 -4.896 -5.316 1.00 0.00 WT1 O ATOM 18512 H1 TIP3 6224 4.113 -0.233 2.407 1.00 0.00 WT1 H ATOM 18513 H2 TIP3 6224 8.305 -6.043 7.681 1.00 0.00 WT1 H ATOM 18514 OH2 TIP3 6225 -2.979 -5.095 -1.215 1.00 0.00 WT1 O ATOM 18515 H1 TIP3 6225 -3.386 -0.505 1.148 1.00 0.00 WT1 H ATOM 18516 H2 TIP3 6225 0.975 -17.287 -9.852 1.00 0.00 WT1 H ATOM 18517 OH2 TIP3 6227 -4.830 -1.905 -1.004 1.00 0.00 WT1 O ATOM 18518 H1 TIP3 6227 24.090 12.622 26.819 1.00 0.00 WT1 H ATOM 18519 H2 TIP3 6227 15.958 8.504 18.632 1.00 0.00 WT1 H ATOM 18520 OH2 TIP3 6228 -3.108 1.091 -1.064 1.00 0.00 WT1 O ATOM 18521 H1 TIP3 6228 -2.628 8.207 0.163 1.00 0.00 WT1 H ATOM 18522 H2 TIP3 6228 -2.746 23.285 1.492 1.00 0.00 WT1 H ATOM 18523 OH2 TIP3 6229 0.254 3.057 -0.913 1.00 0.00 WT1 O ATOM 18524 H1 TIP3 6229 -22.548 -17.094 1.956 1.00 0.00 WT1 H ATOM 18525 H2 TIP3 6229 17.952 -6.460 9.403 1.00 0.00 WT1 H ATOM 18526 OH2 TIP3 6230 -2.438 2.793 2.726 1.00 0.00 WT1 O ATOM 18527 H1 TIP3 6230 -6.698 -3.084 14.285 1.00 0.00 WT1 H ATOM 18528 H2 TIP3 6230 0.362 9.044 -15.144 1.00 0.00 WT1 H ATOM 18529 OH2 TIP3 6231 4.278 -0.302 0.897 1.00 0.00 WT1 O ATOM 18530 H1 TIP3 6231 -3.787 -28.218 19.851 1.00 0.00 WT1 H ATOM 18531 H2 TIP3 6231 -21.095 5.363 -20.173 1.00 0.00 WT1 H ATOM 18532 OH2 TIP3 6232 0.037 4.146 3.376 1.00 0.00 WT1 O ATOM 18533 H1 TIP3 6232 -5.464 7.295 -2.327 1.00 0.00 WT1 H ATOM 18534 H2 TIP3 6232 6.780 2.471 6.867 1.00 0.00 WT1 H ATOM 18535 OH2 TIP3 6233 -2.755 2.890 -3.029 1.00 0.00 WT1 O ATOM 18536 H1 TIP3 6233 14.725 0.819 3.183 1.00 0.00 WT1 H ATOM 18537 H2 TIP3 6233 8.655 -8.572 0.350 1.00 0.00 WT1 H ATOM 18538 OH2 TIP3 6234 -0.062 -7.584 4.037 1.00 0.00 WT1 O ATOM 18539 H1 TIP3 6234 10.772 2.833 25.977 1.00 0.00 WT1 H ATOM 18540 H2 TIP3 6234 8.067 -3.443 7.353 1.00 0.00 WT1 H ATOM 18541 OH2 TIP3 6235 1.077 10.535 -1.646 1.00 0.00 WT1 O ATOM 18542 H1 TIP3 6235 23.242 3.792 8.742 1.00 0.00 WT1 H ATOM 18543 H2 TIP3 6235 9.564 -0.138 26.769 1.00 0.00 WT1 H ATOM 18544 OH2 TIP3 6236 -7.171 1.367 4.466 1.00 0.00 WT1 O ATOM 18545 H1 TIP3 6236 -2.843 9.794 3.410 1.00 0.00 WT1 H ATOM 18546 H2 TIP3 6236 -26.290 -15.672 11.870 1.00 0.00 WT1 H ATOM 18547 OH2 TIP3 6237 0.543 0.963 -0.646 1.00 0.00 WT1 O ATOM 18548 H1 TIP3 6237 -3.985 -4.801 -20.945 1.00 0.00 WT1 H ATOM 18549 H2 TIP3 6237 -19.272 10.119 5.475 1.00 0.00 WT1 H ATOM 18550 OH2 TIP3 6238 0.524 -7.175 -3.007 1.00 0.00 WT1 O ATOM 18551 H1 TIP3 6238 10.484 -16.286 4.153 1.00 0.00 WT1 H ATOM 18552 H2 TIP3 6238 -20.465 -2.360 -15.504 1.00 0.00 WT1 H ATOM 18553 OH2 TIP3 6239 3.302 -5.818 -1.904 1.00 0.00 WT1 O ATOM 18554 H1 TIP3 6239 5.540 3.459 12.003 1.00 0.00 WT1 H ATOM 18555 H2 TIP3 6239 15.933 -10.351 -8.398 1.00 0.00 WT1 H ATOM 18556 OH2 TIP3 6240 3.314 1.169 -1.620 1.00 0.00 WT1 O ATOM 18557 H1 TIP3 6240 9.359 -10.966 2.860 1.00 0.00 WT1 H ATOM 18558 H2 TIP3 6240 1.816 3.589 -2.285 1.00 0.00 WT1 H ATOM 18559 OH2 TIP3 6241 -2.467 0.247 0.775 1.00 0.00 WT1 O ATOM 18560 H1 TIP3 6241 10.421 8.745 -18.853 1.00 0.00 WT1 H ATOM 18561 H2 TIP3 6241 -3.393 1.764 -15.810 1.00 0.00 WT1 H ATOM 18562 OH2 TIP3 6242 -10.527 3.393 -0.528 1.00 0.00 WT1 O ATOM 18563 H1 TIP3 6242 -22.370 -7.218 0.340 1.00 0.00 WT1 H ATOM 18564 H2 TIP3 6242 -6.706 16.438 13.900 1.00 0.00 WT1 H ATOM 18565 OH2 TIP3 6243 8.167 -6.273 0.761 1.00 0.00 WT1 O ATOM 18566 H1 TIP3 6243 24.135 -9.307 39.411 1.00 0.00 WT1 H ATOM 18567 H2 TIP3 6243 -2.896 -36.146 -12.681 1.00 0.00 WT1 H ATOM 18568 OH2 TIP3 6245 0.432 -3.760 0.839 1.00 0.00 WT1 O ATOM 18569 H1 TIP3 6245 18.833 -1.449 -11.921 1.00 0.00 WT1 H ATOM 18570 H2 TIP3 6245 -0.246 4.732 7.345 1.00 0.00 WT1 H ATOM 18571 OH2 TIP3 6246 -3.541 -0.272 -0.827 1.00 0.00 WT1 O ATOM 18572 H1 TIP3 6246 -7.169 12.641 -9.437 1.00 0.00 WT1 H ATOM 18573 H2 TIP3 6246 -1.374 -21.756 -5.142 1.00 0.00 WT1 H ATOM 18574 OH2 TIP3 6248 -1.573 0.021 -0.247 1.00 0.00 WT1 O ATOM 18575 H1 TIP3 6248 8.998 9.593 1.466 1.00 0.00 WT1 H ATOM 18576 H2 TIP3 6248 3.073 4.047 0.971 1.00 0.00 WT1 H ATOM 18577 OH2 TIP3 6249 -4.911 1.284 2.090 1.00 0.00 WT1 O ATOM 18578 H1 TIP3 6249 -34.852 7.411 1.490 1.00 0.00 WT1 H ATOM 18579 H2 TIP3 6249 16.279 1.297 2.131 1.00 0.00 WT1 H ATOM 18580 OH2 TIP3 6250 -6.014 0.680 -4.131 1.00 0.00 WT1 O ATOM 18581 H1 TIP3 6250 -6.913 -6.444 -4.523 1.00 0.00 WT1 H ATOM 18582 H2 TIP3 6250 -13.978 -6.579 9.227 1.00 0.00 WT1 H ATOM 18583 OH2 TIP3 6251 2.298 0.203 -0.090 1.00 0.00 WT1 O ATOM 18584 H1 TIP3 6251 16.177 10.379 11.952 1.00 0.00 WT1 H ATOM 18585 H2 TIP3 6251 7.130 -14.035 12.831 1.00 0.00 WT1 H ATOM 18586 OH2 TIP3 6252 0.585 2.963 -6.722 1.00 0.00 WT1 O ATOM 18587 H1 TIP3 6252 -1.622 -24.825 -5.108 1.00 0.00 WT1 H ATOM 18588 H2 TIP3 6252 0.849 9.077 -0.366 1.00 0.00 WT1 H ATOM 18589 OH2 TIP3 6253 -6.375 2.728 4.055 1.00 0.00 WT1 O ATOM 18590 H1 TIP3 6253 -5.857 -1.828 6.815 1.00 0.00 WT1 H ATOM 18591 H2 TIP3 6253 -5.831 0.020 5.679 1.00 0.00 WT1 H ATOM 18592 OH2 TIP3 6254 -10.575 -0.979 2.748 1.00 0.00 WT1 O ATOM 18593 H1 TIP3 6254 17.982 -16.934 14.346 1.00 0.00 WT1 H ATOM 18594 H2 TIP3 6254 -7.205 22.859 12.393 1.00 0.00 WT1 H ATOM 18595 OH2 TIP3 6255 5.705 -6.171 0.155 1.00 0.00 WT1 O ATOM 18596 H1 TIP3 6255 -2.206 -18.438 -5.425 1.00 0.00 WT1 H ATOM 18597 H2 TIP3 6255 6.603 -5.282 0.076 1.00 0.00 WT1 H ATOM 18598 OH2 TIP3 6256 -8.320 -2.595 2.925 1.00 0.00 WT1 O ATOM 18599 H1 TIP3 6256 2.473 -15.446 1.394 1.00 0.00 WT1 H ATOM 18600 H2 TIP3 6256 0.077 -0.803 8.342 1.00 0.00 WT1 H ATOM 18601 OH2 TIP3 6257 -0.609 3.037 2.568 1.00 0.00 WT1 O ATOM 18602 H1 TIP3 6257 11.109 -51.498 4.724 1.00 0.00 WT1 H ATOM 18603 H2 TIP3 6257 -5.958 17.996 -6.204 1.00 0.00 WT1 H ATOM 18604 OH2 TIP3 6258 -0.844 0.772 3.237 1.00 0.00 WT1 O ATOM 18605 H1 TIP3 6258 -9.881 -11.233 -4.634 1.00 0.00 WT1 H ATOM 18606 H2 TIP3 6258 7.288 -9.114 -0.188 1.00 0.00 WT1 H ATOM 18607 OH2 TIP3 6260 1.250 1.713 -3.706 1.00 0.00 WT1 O ATOM 18608 H1 TIP3 6260 -19.927 -12.285 -0.997 1.00 0.00 WT1 H ATOM 18609 H2 TIP3 6260 7.552 16.685 -14.341 1.00 0.00 WT1 H ATOM 18610 OH2 TIP3 6261 0.207 -4.706 1.687 1.00 0.00 WT1 O ATOM 18611 H1 TIP3 6261 5.165 -10.119 -12.556 1.00 0.00 WT1 H ATOM 18612 H2 TIP3 6261 -3.877 2.022 -11.896 1.00 0.00 WT1 H ATOM 18613 OH2 TIP3 6262 2.199 0.824 8.332 1.00 0.00 WT1 O ATOM 18614 H1 TIP3 6262 12.105 8.214 13.202 1.00 0.00 WT1 H ATOM 18615 H2 TIP3 6262 6.026 0.848 3.365 1.00 0.00 WT1 H ATOM 18616 OH2 TIP3 6263 -7.661 2.401 3.582 1.00 0.00 WT1 O ATOM 18617 H1 TIP3 6263 10.248 -3.962 -9.191 1.00 0.00 WT1 H ATOM 18618 H2 TIP3 6263 -4.697 15.922 16.380 1.00 0.00 WT1 H ATOM 18619 OH2 TIP3 6264 3.484 6.657 -0.464 1.00 0.00 WT1 O ATOM 18620 H1 TIP3 6264 11.524 -0.632 -4.708 1.00 0.00 WT1 H ATOM 18621 H2 TIP3 6264 -0.020 8.945 -4.369 1.00 0.00 WT1 H ATOM 18622 OH2 TIP3 6266 1.305 -1.134 5.436 1.00 0.00 WT1 O ATOM 18623 H1 TIP3 6266 -1.996 -3.478 14.302 1.00 0.00 WT1 H ATOM 18624 H2 TIP3 6266 -18.400 -7.261 10.801 1.00 0.00 WT1 H ATOM 18625 OH2 TIP3 6267 -3.436 -3.583 1.670 1.00 0.00 WT1 O ATOM 18626 H1 TIP3 6267 13.634 -10.851 7.556 1.00 0.00 WT1 H ATOM 18627 H2 TIP3 6267 -17.183 -0.619 -7.994 1.00 0.00 WT1 H ATOM 18628 OH2 TIP3 6268 -2.169 0.694 -2.514 1.00 0.00 WT1 O ATOM 18629 H1 TIP3 6268 13.940 -14.439 -2.201 1.00 0.00 WT1 H ATOM 18630 H2 TIP3 6268 3.046 20.968 -8.639 1.00 0.00 WT1 H ATOM 18631 OH2 TIP3 6269 -10.676 1.045 0.503 1.00 0.00 WT1 O ATOM 18632 H1 TIP3 6269 -16.090 0.920 -27.596 1.00 0.00 WT1 H ATOM 18633 H2 TIP3 6269 0.991 13.092 25.435 1.00 0.00 WT1 H ATOM 18634 OH2 TIP3 6270 -2.822 7.426 -1.775 1.00 0.00 WT1 O ATOM 18635 H1 TIP3 6270 -0.766 9.796 11.577 1.00 0.00 WT1 H ATOM 18636 H2 TIP3 6270 -5.979 -4.927 -9.635 1.00 0.00 WT1 H ATOM 18637 OH2 TIP3 6271 -6.129 1.046 -0.097 1.00 0.00 WT1 O ATOM 18638 H1 TIP3 6271 -19.139 -4.617 12.129 1.00 0.00 WT1 H ATOM 18639 H2 TIP3 6271 0.899 -0.663 -13.910 1.00 0.00 WT1 H ATOM 18640 OH2 TIP3 6272 6.477 -0.432 -1.885 1.00 0.00 WT1 O ATOM 18641 H1 TIP3 6272 28.070 -13.422 -0.489 1.00 0.00 WT1 H ATOM 18642 H2 TIP3 6272 1.033 20.341 -15.591 1.00 0.00 WT1 H ATOM 18643 OH2 TIP3 6273 -2.673 -1.037 -1.512 1.00 0.00 WT1 O ATOM 18644 H1 TIP3 6273 -7.588 0.783 0.424 1.00 0.00 WT1 H ATOM 18645 H2 TIP3 6273 -2.384 2.372 -3.191 1.00 0.00 WT1 H ATOM 18646 OH2 TIP3 6274 0.781 -0.481 2.886 1.00 0.00 WT1 O ATOM 18647 H1 TIP3 6274 5.638 -12.229 -2.717 1.00 0.00 WT1 H ATOM 18648 H2 TIP3 6274 -6.497 2.196 -11.795 1.00 0.00 WT1 H ATOM 18649 OH2 TIP3 6275 1.005 1.684 -1.240 1.00 0.00 WT1 O ATOM 18650 H1 TIP3 6275 6.682 -6.378 6.592 1.00 0.00 WT1 H ATOM 18651 H2 TIP3 6275 -0.287 -6.903 -8.626 1.00 0.00 WT1 H ATOM 18652 OH2 TIP3 6276 -4.430 -5.305 5.170 1.00 0.00 WT1 O ATOM 18653 H1 TIP3 6276 -12.312 -10.661 14.865 1.00 0.00 WT1 H ATOM 18654 H2 TIP3 6276 -1.530 -17.509 9.630 1.00 0.00 WT1 H ATOM 18655 OH2 TIP3 6278 0.574 -2.658 -1.848 1.00 0.00 WT1 O ATOM 18656 H1 TIP3 6278 5.566 -3.771 12.044 1.00 0.00 WT1 H ATOM 18657 H2 TIP3 6278 14.163 24.474 16.274 1.00 0.00 WT1 H ATOM 18658 OH2 TIP3 6279 4.977 5.241 -0.597 1.00 0.00 WT1 O ATOM 18659 H1 TIP3 6279 12.417 4.099 6.093 1.00 0.00 WT1 H ATOM 18660 H2 TIP3 6279 -5.776 8.673 -0.047 1.00 0.00 WT1 H ATOM 18661 OH2 TIP3 6280 1.513 -3.205 -0.429 1.00 0.00 WT1 O ATOM 18662 H1 TIP3 6280 -1.096 -11.504 7.296 1.00 0.00 WT1 H ATOM 18663 H2 TIP3 6280 2.968 -2.528 -14.628 1.00 0.00 WT1 H ATOM 18664 OH2 TIP3 6281 -2.524 -4.903 -2.467 1.00 0.00 WT1 O ATOM 18665 H1 TIP3 6281 -0.185 5.517 0.076 1.00 0.00 WT1 H ATOM 18666 H2 TIP3 6281 11.472 6.973 14.636 1.00 0.00 WT1 H ATOM 18667 OH2 TIP3 6282 0.999 -3.450 -1.162 1.00 0.00 WT1 O ATOM 18668 H1 TIP3 6282 -5.417 -2.580 -2.047 1.00 0.00 WT1 H ATOM 18669 H2 TIP3 6282 -8.783 7.340 -16.229 1.00 0.00 WT1 H ATOM 18670 OH2 TIP3 6283 2.315 -0.564 0.842 1.00 0.00 WT1 O ATOM 18671 H1 TIP3 6283 7.794 -2.724 4.289 1.00 0.00 WT1 H ATOM 18672 H2 TIP3 6283 -23.803 38.801 -27.892 1.00 0.00 WT1 H ATOM 18673 OH2 TIP3 6284 0.392 -3.841 -0.066 1.00 0.00 WT1 O ATOM 18674 H1 TIP3 6284 -6.947 -13.950 -12.975 1.00 0.00 WT1 H ATOM 18675 H2 TIP3 6284 6.684 -7.819 6.363 1.00 0.00 WT1 H ATOM 18676 OH2 TIP3 6285 1.091 -3.526 1.365 1.00 0.00 WT1 O ATOM 18677 H1 TIP3 6285 -3.587 -12.261 -6.018 1.00 0.00 WT1 H ATOM 18678 H2 TIP3 6285 -1.550 4.864 -1.903 1.00 0.00 WT1 H ATOM 18679 OH2 TIP3 6286 -3.158 5.336 2.362 1.00 0.00 WT1 O ATOM 18680 H1 TIP3 6286 -0.263 7.866 8.278 1.00 0.00 WT1 H ATOM 18681 H2 TIP3 6286 9.663 7.409 2.583 1.00 0.00 WT1 H ATOM 18682 OH2 TIP3 6287 -3.598 -4.872 -5.186 1.00 0.00 WT1 O ATOM 18683 H1 TIP3 6287 -15.395 -0.669 1.343 1.00 0.00 WT1 H ATOM 18684 H2 TIP3 6287 11.670 7.384 -11.907 1.00 0.00 WT1 H ATOM 18685 OH2 TIP3 6288 0.290 -1.468 6.147 1.00 0.00 WT1 O ATOM 18686 H1 TIP3 6288 -1.635 -4.576 -7.133 1.00 0.00 WT1 H ATOM 18687 H2 TIP3 6288 5.683 -6.254 -3.703 1.00 0.00 WT1 H ATOM 18688 OH2 TIP3 6289 -3.039 -0.809 -0.163 1.00 0.00 WT1 O ATOM 18689 H1 TIP3 6289 -8.023 -2.849 -3.087 1.00 0.00 WT1 H ATOM 18690 H2 TIP3 6289 -7.746 -7.431 -2.026 1.00 0.00 WT1 H ATOM 18691 OH2 TIP3 6290 -3.249 -0.230 -5.285 1.00 0.00 WT1 O ATOM 18692 H1 TIP3 6290 2.767 -18.169 -10.779 1.00 0.00 WT1 H ATOM 18693 H2 TIP3 6290 -6.636 2.516 4.500 1.00 0.00 WT1 H ATOM 18694 OH2 TIP3 6291 -0.927 -4.642 -2.881 1.00 0.00 WT1 O ATOM 18695 H1 TIP3 6291 16.196 6.998 -20.633 1.00 0.00 WT1 H ATOM 18696 H2 TIP3 6291 10.004 -5.132 -9.284 1.00 0.00 WT1 H ATOM 18697 OH2 TIP3 6292 -2.893 1.368 -1.453 1.00 0.00 WT1 O ATOM 18698 H1 TIP3 6292 -3.441 -4.364 -13.450 1.00 0.00 WT1 H ATOM 18699 H2 TIP3 6292 3.213 5.537 4.834 1.00 0.00 WT1 H ATOM 18700 OH2 TIP3 6293 -1.825 2.049 5.631 1.00 0.00 WT1 O ATOM 18701 H1 TIP3 6293 -4.246 -0.231 -17.476 1.00 0.00 WT1 H ATOM 18702 H2 TIP3 6293 13.045 -12.599 -19.754 1.00 0.00 WT1 H ATOM 18703 OH2 TIP3 6294 7.022 1.761 6.538 1.00 0.00 WT1 O ATOM 18704 H1 TIP3 6294 -11.900 19.406 3.097 1.00 0.00 WT1 H ATOM 18705 H2 TIP3 6294 22.406 -8.506 5.197 1.00 0.00 WT1 H ATOM 18706 OH2 TIP3 6295 2.335 1.330 0.492 1.00 0.00 WT1 O ATOM 18707 H1 TIP3 6295 -12.712 16.976 -1.679 1.00 0.00 WT1 H ATOM 18708 H2 TIP3 6295 5.392 18.885 6.469 1.00 0.00 WT1 H ATOM 18709 OH2 TIP3 6296 -1.104 6.828 4.994 1.00 0.00 WT1 O ATOM 18710 H1 TIP3 6296 -14.809 -7.545 4.754 1.00 0.00 WT1 H ATOM 18711 H2 TIP3 6296 -21.901 -30.379 -19.886 1.00 0.00 WT1 H ATOM 18712 OH2 TIP3 6297 2.597 3.358 -4.656 1.00 0.00 WT1 O ATOM 18713 H1 TIP3 6297 21.114 15.947 1.538 1.00 0.00 WT1 H ATOM 18714 H2 TIP3 6297 10.565 -15.370 -10.556 1.00 0.00 WT1 H ATOM 18715 OH2 TIP3 6298 -0.643 -1.898 3.507 1.00 0.00 WT1 O ATOM 18716 H1 TIP3 6298 3.107 1.313 23.942 1.00 0.00 WT1 H ATOM 18717 H2 TIP3 6298 -11.295 -5.925 9.049 1.00 0.00 WT1 H ATOM 18718 OH2 TIP3 6299 -1.651 -2.428 0.090 1.00 0.00 WT1 O ATOM 18719 H1 TIP3 6299 8.200 20.504 7.448 1.00 0.00 WT1 H ATOM 18720 H2 TIP3 6299 -5.833 -19.171 -1.136 1.00 0.00 WT1 H ATOM 18721 OH2 TIP3 6300 0.467 3.191 -0.291 1.00 0.00 WT1 O ATOM 18722 H1 TIP3 6300 -4.389 1.301 -4.596 1.00 0.00 WT1 H ATOM 18723 H2 TIP3 6300 -1.504 -5.746 11.912 1.00 0.00 WT1 H ATOM 18724 OH2 TIP3 6301 5.509 -3.083 5.414 1.00 0.00 WT1 O ATOM 18725 H1 TIP3 6301 -17.364 -0.396 15.124 1.00 0.00 WT1 H ATOM 18726 H2 TIP3 6301 21.462 13.178 1.801 1.00 0.00 WT1 H ATOM 18727 OH2 TIP3 6302 11.540 5.047 0.926 1.00 0.00 WT1 O ATOM 18728 H1 TIP3 6302 15.004 -3.600 1.645 1.00 0.00 WT1 H ATOM 18729 H2 TIP3 6302 12.582 21.096 1.082 1.00 0.00 WT1 H ATOM 18730 OH2 TIP3 6303 4.129 -2.031 -2.645 1.00 0.00 WT1 O ATOM 18731 H1 TIP3 6303 14.047 -0.770 1.123 1.00 0.00 WT1 H ATOM 18732 H2 TIP3 6303 9.077 0.304 -1.657 1.00 0.00 WT1 H ATOM 18733 OH2 TIP3 6304 2.287 -0.776 2.963 1.00 0.00 WT1 O ATOM 18734 H1 TIP3 6304 -30.049 -9.713 12.287 1.00 0.00 WT1 H ATOM 18735 H2 TIP3 6304 -1.303 -2.875 -9.432 1.00 0.00 WT1 H ATOM 18736 OH2 TIP3 6305 -2.465 1.767 -3.915 1.00 0.00 WT1 O ATOM 18737 H1 TIP3 6305 23.798 18.830 -32.678 1.00 0.00 WT1 H ATOM 18738 H2 TIP3 6305 -32.132 22.033 5.382 1.00 0.00 WT1 H ATOM 18739 OH2 TIP3 6306 -1.241 -6.818 2.649 1.00 0.00 WT1 O ATOM 18740 H1 TIP3 6306 3.800 -5.713 2.224 1.00 0.00 WT1 H ATOM 18741 H2 TIP3 6306 12.052 -3.715 -3.173 1.00 0.00 WT1 H ATOM 18742 OH2 TIP3 6307 2.019 6.011 4.920 1.00 0.00 WT1 O ATOM 18743 H1 TIP3 6307 17.034 10.032 14.102 1.00 0.00 WT1 H ATOM 18744 H2 TIP3 6307 -0.695 2.987 -6.813 1.00 0.00 WT1 H ATOM 18745 OH2 TIP3 6308 4.612 -2.324 -2.217 1.00 0.00 WT1 O ATOM 18746 H1 TIP3 6308 6.687 -5.347 -4.041 1.00 0.00 WT1 H ATOM 18747 H2 TIP3 6308 10.741 -3.720 -0.098 1.00 0.00 WT1 H ATOM 18748 OH2 TIP3 6309 -2.133 -3.151 -2.524 1.00 0.00 WT1 O ATOM 18749 H1 TIP3 6309 -17.237 -11.319 -13.252 1.00 0.00 WT1 H ATOM 18750 H2 TIP3 6309 13.996 -7.050 -8.602 1.00 0.00 WT1 H ATOM 18751 OH2 TIP3 6310 -5.448 3.212 2.091 1.00 0.00 WT1 O ATOM 18752 H1 TIP3 6310 -7.537 6.180 1.891 1.00 0.00 WT1 H ATOM 18753 H2 TIP3 6310 -4.495 3.749 -0.748 1.00 0.00 WT1 H ATOM 18754 OH2 TIP3 6311 4.450 0.441 -1.901 1.00 0.00 WT1 O ATOM 18755 H1 TIP3 6311 16.283 -11.471 27.985 1.00 0.00 WT1 H ATOM 18756 H2 TIP3 6311 -16.365 -16.975 -17.556 1.00 0.00 WT1 H ATOM 18757 OH2 TIP3 6312 0.591 0.286 8.380 1.00 0.00 WT1 O ATOM 18758 H1 TIP3 6312 19.452 20.294 -7.785 1.00 0.00 WT1 H ATOM 18759 H2 TIP3 6312 -23.988 -16.704 1.838 1.00 0.00 WT1 H ATOM 18760 OH2 TIP3 6313 -1.049 0.241 0.581 1.00 0.00 WT1 O ATOM 18761 H1 TIP3 6313 9.843 -4.274 7.834 1.00 0.00 WT1 H ATOM 18762 H2 TIP3 6313 -11.899 -4.787 -4.031 1.00 0.00 WT1 H ATOM 18763 OH2 TIP3 6315 0.924 -1.555 4.377 1.00 0.00 WT1 O ATOM 18764 H1 TIP3 6315 -5.187 -10.104 3.740 1.00 0.00 WT1 H ATOM 18765 H2 TIP3 6315 7.003 3.486 -31.196 1.00 0.00 WT1 H ATOM 18766 OH2 TIP3 6316 3.335 -1.943 -2.266 1.00 0.00 WT1 O ATOM 18767 H1 TIP3 6316 4.451 -1.759 -9.343 1.00 0.00 WT1 H ATOM 18768 H2 TIP3 6316 -0.400 0.304 -13.426 1.00 0.00 WT1 H ATOM 18769 OH2 TIP3 6317 2.536 -0.275 -4.922 1.00 0.00 WT1 O ATOM 18770 H1 TIP3 6317 -18.617 -15.563 -17.606 1.00 0.00 WT1 H ATOM 18771 H2 TIP3 6317 12.422 -11.246 -21.096 1.00 0.00 WT1 H ATOM 18772 OH2 TIP3 6318 7.015 -0.255 2.777 1.00 0.00 WT1 O ATOM 18773 H1 TIP3 6318 1.977 -7.403 9.259 1.00 0.00 WT1 H ATOM 18774 H2 TIP3 6318 -5.211 -6.462 -0.505 1.00 0.00 WT1 H ATOM 18775 OH2 TIP3 6319 2.057 1.725 2.246 1.00 0.00 WT1 O ATOM 18776 H1 TIP3 6319 -2.106 -10.768 20.225 1.00 0.00 WT1 H ATOM 18777 H2 TIP3 6319 0.019 13.141 -9.157 1.00 0.00 WT1 H ATOM 18778 OH2 TIP3 6320 -0.557 6.541 1.624 1.00 0.00 WT1 O ATOM 18779 H1 TIP3 6320 3.288 4.527 23.435 1.00 0.00 WT1 H ATOM 18780 H2 TIP3 6320 6.356 -9.427 -23.890 1.00 0.00 WT1 H ATOM 18781 OH2 TIP3 6321 -3.643 -4.254 -3.614 1.00 0.00 WT1 O ATOM 18782 H1 TIP3 6321 -8.173 -13.182 -7.402 1.00 0.00 WT1 H ATOM 18783 H2 TIP3 6321 10.073 8.670 9.133 1.00 0.00 WT1 H ATOM 18784 OH2 TIP3 6323 0.235 -1.422 2.461 1.00 0.00 WT1 O ATOM 18785 H1 TIP3 6323 8.427 -8.759 6.423 1.00 0.00 WT1 H ATOM 18786 H2 TIP3 6323 37.758 5.412 16.060 1.00 0.00 WT1 H ATOM 18787 OH2 TIP3 6324 -6.201 0.892 5.384 1.00 0.00 WT1 O ATOM 18788 H1 TIP3 6324 -3.630 -0.427 1.415 1.00 0.00 WT1 H ATOM 18789 H2 TIP3 6324 -23.834 -5.481 14.503 1.00 0.00 WT1 H ATOM 18790 OH2 TIP3 6325 -3.241 0.016 1.529 1.00 0.00 WT1 O ATOM 18791 H1 TIP3 6325 -1.503 1.668 -1.954 1.00 0.00 WT1 H ATOM 18792 H2 TIP3 6325 -6.174 -2.682 5.904 1.00 0.00 WT1 H ATOM 18793 OH2 TIP3 6326 3.474 -1.085 2.155 1.00 0.00 WT1 O ATOM 18794 H1 TIP3 6326 6.891 -7.221 1.054 1.00 0.00 WT1 H ATOM 18795 H2 TIP3 6326 4.469 6.173 8.996 1.00 0.00 WT1 H ATOM 18796 OH2 TIP3 6327 2.714 2.194 6.417 1.00 0.00 WT1 O ATOM 18797 H1 TIP3 6327 0.166 -26.397 1.922 1.00 0.00 WT1 H ATOM 18798 H2 TIP3 6327 29.633 6.162 11.937 1.00 0.00 WT1 H ATOM 18799 OH2 TIP3 6328 -1.212 6.013 -7.561 1.00 0.00 WT1 O ATOM 18800 H1 TIP3 6328 11.264 47.905 1.997 1.00 0.00 WT1 H ATOM 18801 H2 TIP3 6328 2.846 -7.011 -5.916 1.00 0.00 WT1 H ATOM 18802 OH2 TIP3 6329 -5.625 -8.878 -4.399 1.00 0.00 WT1 O ATOM 18803 H1 TIP3 6329 20.372 -4.624 12.680 1.00 0.00 WT1 H ATOM 18804 H2 TIP3 6329 -19.840 -14.122 -18.050 1.00 0.00 WT1 H ATOM 18805 OH2 TIP3 6330 1.296 -0.688 2.801 1.00 0.00 WT1 O ATOM 18806 H1 TIP3 6330 -3.593 -14.769 39.044 1.00 0.00 WT1 H ATOM 18807 H2 TIP3 6330 -21.327 27.577 3.462 1.00 0.00 WT1 H ATOM 18808 OH2 TIP3 6331 3.515 -4.441 3.758 1.00 0.00 WT1 O ATOM 18809 H1 TIP3 6331 -9.781 4.113 -6.198 1.00 0.00 WT1 H ATOM 18810 H2 TIP3 6331 -2.908 0.022 -1.498 1.00 0.00 WT1 H ATOM 18811 OH2 TIP3 6332 0.278 2.914 -2.398 1.00 0.00 WT1 O ATOM 18812 H1 TIP3 6332 -0.392 -6.139 17.753 1.00 0.00 WT1 H ATOM 18813 H2 TIP3 6332 3.385 21.471 1.979 1.00 0.00 WT1 H ATOM 18814 OH2 TIP3 6333 -5.511 -3.764 -1.766 1.00 0.00 WT1 O ATOM 18815 H1 TIP3 6333 15.013 3.777 23.526 1.00 0.00 WT1 H ATOM 18816 H2 TIP3 6333 -1.917 0.169 5.107 1.00 0.00 WT1 H ATOM 18817 OH2 TIP3 6334 -10.030 -0.237 3.959 1.00 0.00 WT1 O ATOM 18818 H1 TIP3 6334 -14.700 2.610 -19.322 1.00 0.00 WT1 H ATOM 18819 H2 TIP3 6334 -18.374 -13.591 20.650 1.00 0.00 WT1 H ATOM 18820 OH2 TIP3 6335 0.494 -4.926 5.302 1.00 0.00 WT1 O ATOM 18821 H1 TIP3 6335 13.164 0.563 0.161 1.00 0.00 WT1 H ATOM 18822 H2 TIP3 6335 3.351 8.442 13.185 1.00 0.00 WT1 H ATOM 18823 OH2 TIP3 6336 -1.442 5.019 1.274 1.00 0.00 WT1 O ATOM 18824 H1 TIP3 6336 -3.858 -0.001 6.943 1.00 0.00 WT1 H ATOM 18825 H2 TIP3 6336 -1.218 6.309 5.555 1.00 0.00 WT1 H ATOM 18826 OH2 TIP3 6337 5.890 -6.567 -0.223 1.00 0.00 WT1 O ATOM 18827 H1 TIP3 6337 -7.251 -3.539 7.938 1.00 0.00 WT1 H ATOM 18828 H2 TIP3 6337 -15.094 -9.703 -10.507 1.00 0.00 WT1 H ATOM 18829 OH2 TIP3 6338 -3.372 -4.766 5.690 1.00 0.00 WT1 O ATOM 18830 H1 TIP3 6338 4.164 -20.200 -4.699 1.00 0.00 WT1 H ATOM 18831 H2 TIP3 6338 -13.964 -3.288 20.710 1.00 0.00 WT1 H ATOM 18832 OH2 TIP3 6339 -3.623 1.796 5.687 1.00 0.00 WT1 O ATOM 18833 H1 TIP3 6339 -0.911 3.117 16.441 1.00 0.00 WT1 H ATOM 18834 H2 TIP3 6339 10.133 -17.830 0.136 1.00 0.00 WT1 H ATOM 18835 OH2 TIP3 6340 2.582 1.391 -1.388 1.00 0.00 WT1 O ATOM 18836 H1 TIP3 6340 -14.502 -7.290 -1.992 1.00 0.00 WT1 H ATOM 18837 H2 TIP3 6340 14.255 6.236 -3.667 1.00 0.00 WT1 H ATOM 18838 OH2 TIP3 6341 -5.333 1.082 3.351 1.00 0.00 WT1 O ATOM 18839 H1 TIP3 6341 -23.951 0.425 0.454 1.00 0.00 WT1 H ATOM 18840 H2 TIP3 6341 6.069 -11.301 1.940 1.00 0.00 WT1 H ATOM 18841 OH2 TIP3 6342 -4.348 1.555 3.922 1.00 0.00 WT1 O ATOM 18842 H1 TIP3 6342 5.501 3.601 -2.627 1.00 0.00 WT1 H ATOM 18843 H2 TIP3 6342 -4.540 7.878 7.503 1.00 0.00 WT1 H ATOM 18844 OH2 TIP3 6344 6.043 7.896 5.689 1.00 0.00 WT1 O ATOM 18845 H1 TIP3 6344 5.558 8.009 7.599 1.00 0.00 WT1 H ATOM 18846 H2 TIP3 6344 5.621 2.535 10.437 1.00 0.00 WT1 H ATOM 18847 OH2 TIP3 6345 2.959 -3.998 -1.343 1.00 0.00 WT1 O ATOM 18848 H1 TIP3 6345 13.321 -4.816 9.888 1.00 0.00 WT1 H ATOM 18849 H2 TIP3 6345 -24.416 0.132 -25.118 1.00 0.00 WT1 H ATOM 18850 OH2 TIP3 6346 -1.576 -0.531 -1.559 1.00 0.00 WT1 O ATOM 18851 H1 TIP3 6346 -3.265 0.151 -16.991 1.00 0.00 WT1 H ATOM 18852 H2 TIP3 6346 10.099 -2.300 4.425 1.00 0.00 WT1 H ATOM 18853 OH2 TIP3 6347 -2.737 2.436 -3.078 1.00 0.00 WT1 O ATOM 18854 H1 TIP3 6347 9.928 -7.189 -11.875 1.00 0.00 WT1 H ATOM 18855 H2 TIP3 6347 2.590 15.453 6.278 1.00 0.00 WT1 H ATOM 18856 OH2 TIP3 6348 0.813 -6.945 3.141 1.00 0.00 WT1 O ATOM 18857 H1 TIP3 6348 -7.415 -13.475 18.599 1.00 0.00 WT1 H ATOM 18858 H2 TIP3 6348 -20.448 -18.405 -4.636 1.00 0.00 WT1 H ATOM 18859 OH2 TIP3 6349 -0.618 -0.290 2.767 1.00 0.00 WT1 O ATOM 18860 H1 TIP3 6349 8.797 8.370 1.478 1.00 0.00 WT1 H ATOM 18861 H2 TIP3 6349 1.448 9.976 -4.698 1.00 0.00 WT1 H ATOM 18862 OH2 TIP3 6351 0.090 4.521 -2.173 1.00 0.00 WT1 O ATOM 18863 H1 TIP3 6351 20.701 24.077 -1.914 1.00 0.00 WT1 H ATOM 18864 H2 TIP3 6351 -10.362 5.915 -4.786 1.00 0.00 WT1 H ATOM 18865 OH2 TIP3 6352 7.408 -1.404 -2.362 1.00 0.00 WT1 O ATOM 18866 H1 TIP3 6352 4.038 -21.040 -25.967 1.00 0.00 WT1 H ATOM 18867 H2 TIP3 6352 8.152 -8.407 -3.328 1.00 0.00 WT1 H ATOM 18868 OH2 TIP3 6353 3.244 9.409 3.796 1.00 0.00 WT1 O ATOM 18869 H1 TIP3 6353 20.587 0.652 0.272 1.00 0.00 WT1 H ATOM 18870 H2 TIP3 6353 -3.476 10.372 14.423 1.00 0.00 WT1 H ATOM 18871 OH2 TIP3 6354 3.098 5.757 -1.226 1.00 0.00 WT1 O ATOM 18872 H1 TIP3 6354 1.606 -12.795 -2.809 1.00 0.00 WT1 H ATOM 18873 H2 TIP3 6354 17.448 8.099 -6.152 1.00 0.00 WT1 H ATOM 18874 OH2 TIP3 6356 2.561 -3.236 -0.449 1.00 0.00 WT1 O ATOM 18875 H1 TIP3 6356 -2.032 -2.679 0.645 1.00 0.00 WT1 H ATOM 18876 H2 TIP3 6356 -5.159 3.322 1.324 1.00 0.00 WT1 H ATOM 18877 OH2 TIP3 6357 5.410 -3.812 2.974 1.00 0.00 WT1 O ATOM 18878 H1 TIP3 6357 3.941 22.159 -8.166 1.00 0.00 WT1 H ATOM 18879 H2 TIP3 6357 10.874 -10.093 9.614 1.00 0.00 WT1 H ATOM 18880 OH2 TIP3 6358 -0.075 -3.534 1.769 1.00 0.00 WT1 O ATOM 18881 H1 TIP3 6358 -11.818 2.455 13.180 1.00 0.00 WT1 H ATOM 18882 H2 TIP3 6358 -2.729 -34.521 3.950 1.00 0.00 WT1 H ATOM 18883 OH2 TIP3 6359 0.882 -2.192 -9.356 1.00 0.00 WT1 O ATOM 18884 H1 TIP3 6359 -5.195 6.506 -2.073 1.00 0.00 WT1 H ATOM 18885 H2 TIP3 6359 7.009 -4.344 8.848 1.00 0.00 WT1 H ATOM 18886 OH2 TIP3 6360 2.428 -3.589 3.535 1.00 0.00 WT1 O ATOM 18887 H1 TIP3 6360 -2.960 -0.438 -1.881 1.00 0.00 WT1 H ATOM 18888 H2 TIP3 6360 -1.298 -13.426 6.358 1.00 0.00 WT1 H ATOM 18889 OH2 TIP3 6362 0.517 -5.895 2.057 1.00 0.00 WT1 O ATOM 18890 H1 TIP3 6362 8.356 -2.349 -15.094 1.00 0.00 WT1 H ATOM 18891 H2 TIP3 6362 -4.911 12.381 4.566 1.00 0.00 WT1 H ATOM 18892 OH2 TIP3 6363 0.683 -5.542 3.020 1.00 0.00 WT1 O ATOM 18893 H1 TIP3 6363 -5.023 -18.214 4.403 1.00 0.00 WT1 H ATOM 18894 H2 TIP3 6363 3.497 -6.393 5.207 1.00 0.00 WT1 H ATOM 18895 OH2 TIP3 6364 -0.462 4.517 4.027 1.00 0.00 WT1 O ATOM 18896 H1 TIP3 6364 8.300 24.197 -0.981 1.00 0.00 WT1 H ATOM 18897 H2 TIP3 6364 -3.371 17.679 -4.125 1.00 0.00 WT1 H ATOM 18898 OH2 TIP3 6365 3.611 -5.787 3.944 1.00 0.00 WT1 O ATOM 18899 H1 TIP3 6365 15.839 2.769 7.592 1.00 0.00 WT1 H ATOM 18900 H2 TIP3 6365 -5.600 -3.805 16.371 1.00 0.00 WT1 H ATOM 18901 OH2 TIP3 6366 -1.111 4.145 5.464 1.00 0.00 WT1 O ATOM 18902 H1 TIP3 6366 -9.985 -1.947 -3.296 1.00 0.00 WT1 H ATOM 18903 H2 TIP3 6366 -9.872 -4.358 -11.238 1.00 0.00 WT1 H ATOM 18904 OH2 TIP3 6367 -1.167 1.194 0.669 1.00 0.00 WT1 O ATOM 18905 H1 TIP3 6367 16.145 4.257 4.599 1.00 0.00 WT1 H ATOM 18906 H2 TIP3 6367 3.139 -11.391 1.919 1.00 0.00 WT1 H ATOM 18907 OH2 TIP3 6368 -3.116 2.535 -3.818 1.00 0.00 WT1 O ATOM 18908 H1 TIP3 6368 -11.060 7.533 -2.619 1.00 0.00 WT1 H ATOM 18909 H2 TIP3 6368 20.450 -13.767 2.947 1.00 0.00 WT1 H ATOM 18910 OH2 TIP3 6369 -2.138 0.285 4.705 1.00 0.00 WT1 O ATOM 18911 H1 TIP3 6369 17.353 13.403 27.210 1.00 0.00 WT1 H ATOM 18912 H2 TIP3 6369 13.598 17.271 0.843 1.00 0.00 WT1 H ATOM 18913 OH2 TIP3 6370 -2.415 0.846 2.208 1.00 0.00 WT1 O ATOM 18914 H1 TIP3 6370 -1.179 -14.205 0.937 1.00 0.00 WT1 H ATOM 18915 H2 TIP3 6370 -6.657 7.889 6.156 1.00 0.00 WT1 H ATOM 18916 OH2 TIP3 6371 -4.515 -1.260 -2.528 1.00 0.00 WT1 O ATOM 18917 H1 TIP3 6371 -3.619 12.667 -4.123 1.00 0.00 WT1 H ATOM 18918 H2 TIP3 6371 -4.388 8.436 -6.387 1.00 0.00 WT1 H ATOM 18919 OH2 TIP3 6372 0.456 0.582 -2.373 1.00 0.00 WT1 O ATOM 18920 H1 TIP3 6372 18.903 13.135 -1.356 1.00 0.00 WT1 H ATOM 18921 H2 TIP3 6372 18.555 8.389 -4.372 1.00 0.00 WT1 H ATOM 18922 OH2 TIP3 6373 -4.286 0.345 2.046 1.00 0.00 WT1 O ATOM 18923 H1 TIP3 6373 -10.034 3.534 -12.682 1.00 0.00 WT1 H ATOM 18924 H2 TIP3 6373 0.407 -5.126 4.819 1.00 0.00 WT1 H ATOM 18925 OH2 TIP3 6374 -0.296 0.904 -2.540 1.00 0.00 WT1 O ATOM 18926 H1 TIP3 6374 -1.837 0.634 -7.034 1.00 0.00 WT1 H ATOM 18927 H2 TIP3 6374 -3.848 5.382 -0.663 1.00 0.00 WT1 H ATOM 18928 OH2 TIP3 6375 0.680 3.353 -0.780 1.00 0.00 WT1 O ATOM 18929 H1 TIP3 6375 -16.551 -4.460 2.239 1.00 0.00 WT1 H ATOM 18930 H2 TIP3 6375 -1.405 -14.428 -11.602 1.00 0.00 WT1 H ATOM 18931 OH2 TIP3 6377 -4.225 5.779 4.380 1.00 0.00 WT1 O ATOM 18932 H1 TIP3 6377 -5.676 -8.993 -1.102 1.00 0.00 WT1 H ATOM 18933 H2 TIP3 6377 -3.073 2.649 13.790 1.00 0.00 WT1 H ATOM 18934 OH2 TIP3 6379 0.805 0.754 -0.256 1.00 0.00 WT1 O ATOM 18935 H1 TIP3 6379 -4.409 16.723 19.266 1.00 0.00 WT1 H ATOM 18936 H2 TIP3 6379 -0.200 11.808 14.159 1.00 0.00 WT1 H ATOM 18937 OH2 TIP3 6380 -5.444 3.665 4.605 1.00 0.00 WT1 O ATOM 18938 H1 TIP3 6380 -3.671 4.055 6.698 1.00 0.00 WT1 H ATOM 18939 H2 TIP3 6380 -2.484 4.670 8.710 1.00 0.00 WT1 H ATOM 18940 OH2 TIP3 6381 -2.760 6.756 9.109 1.00 0.00 WT1 O ATOM 18941 H1 TIP3 6381 3.927 13.931 5.030 1.00 0.00 WT1 H ATOM 18942 H2 TIP3 6381 -0.933 -2.958 9.618 1.00 0.00 WT1 H ATOM 18943 OH2 TIP3 6382 -2.160 4.420 0.058 1.00 0.00 WT1 O ATOM 18944 H1 TIP3 6382 10.313 0.536 0.214 1.00 0.00 WT1 H ATOM 18945 H2 TIP3 6382 6.573 11.850 -5.314 1.00 0.00 WT1 H ATOM 18946 OH2 TIP3 6383 -4.639 -4.717 0.519 1.00 0.00 WT1 O ATOM 18947 H1 TIP3 6383 -23.331 8.758 7.494 1.00 0.00 WT1 H ATOM 18948 H2 TIP3 6383 -0.362 -18.690 10.925 1.00 0.00 WT1 H ATOM 18949 OH2 TIP3 6384 -2.951 1.976 -0.209 1.00 0.00 WT1 O ATOM 18950 H1 TIP3 6384 8.253 5.023 6.926 1.00 0.00 WT1 H ATOM 18951 H2 TIP3 6384 12.547 4.320 8.264 1.00 0.00 WT1 H ATOM 18952 OH2 TIP3 6385 3.844 -6.609 1.507 1.00 0.00 WT1 O ATOM 18953 H1 TIP3 6385 3.012 -11.131 -8.114 1.00 0.00 WT1 H ATOM 18954 H2 TIP3 6385 8.791 -3.488 -3.093 1.00 0.00 WT1 H ATOM 18955 OH2 TIP3 6386 2.115 -2.222 -1.897 1.00 0.00 WT1 O ATOM 18956 H1 TIP3 6386 13.161 -7.107 7.224 1.00 0.00 WT1 H ATOM 18957 H2 TIP3 6386 8.696 8.808 -3.341 1.00 0.00 WT1 H ATOM 18958 OH2 TIP3 6387 -0.901 -9.451 1.079 1.00 0.00 WT1 O ATOM 18959 H1 TIP3 6387 -3.264 -17.242 -15.628 1.00 0.00 WT1 H ATOM 18960 H2 TIP3 6387 -9.440 -16.325 -17.272 1.00 0.00 WT1 H ATOM 18961 OH2 TIP3 6388 0.420 -1.662 0.888 1.00 0.00 WT1 O ATOM 18962 H1 TIP3 6388 2.906 -7.853 4.656 1.00 0.00 WT1 H ATOM 18963 H2 TIP3 6388 -3.707 9.537 -1.970 1.00 0.00 WT1 H ATOM 18964 OH2 TIP3 6389 1.396 -1.763 -2.511 1.00 0.00 WT1 O ATOM 18965 H1 TIP3 6389 -18.043 -17.448 -11.536 1.00 0.00 WT1 H ATOM 18966 H2 TIP3 6389 -2.547 11.461 10.771 1.00 0.00 WT1 H ATOM 18967 OH2 TIP3 6390 -1.527 1.514 -0.108 1.00 0.00 WT1 O ATOM 18968 H1 TIP3 6390 -0.709 -4.763 4.582 1.00 0.00 WT1 H ATOM 18969 H2 TIP3 6390 -12.255 14.452 10.599 1.00 0.00 WT1 H ATOM 18970 OH2 TIP3 6391 -4.032 -3.623 -3.379 1.00 0.00 WT1 O ATOM 18971 H1 TIP3 6391 -2.743 -1.165 -2.482 1.00 0.00 WT1 H ATOM 18972 H2 TIP3 6391 -1.623 10.490 -3.660 1.00 0.00 WT1 H ATOM 18973 OH2 TIP3 6392 5.901 4.118 1.699 1.00 0.00 WT1 O ATOM 18974 H1 TIP3 6392 1.835 28.079 23.858 1.00 0.00 WT1 H ATOM 18975 H2 TIP3 6392 8.079 -14.839 -19.329 1.00 0.00 WT1 H ATOM 18976 OH2 TIP3 6393 3.253 1.538 -3.936 1.00 0.00 WT1 O ATOM 18977 H1 TIP3 6393 18.034 15.868 -2.894 1.00 0.00 WT1 H ATOM 18978 H2 TIP3 6393 -14.174 13.323 9.442 1.00 0.00 WT1 H ATOM 18979 OH2 TIP3 6394 -4.230 1.429 3.798 1.00 0.00 WT1 O ATOM 18980 H1 TIP3 6394 -17.354 -2.420 13.828 1.00 0.00 WT1 H ATOM 18981 H2 TIP3 6394 -13.803 -0.761 10.034 1.00 0.00 WT1 H ATOM 18982 OH2 TIP3 6395 -1.997 -0.424 0.909 1.00 0.00 WT1 O ATOM 18983 H1 TIP3 6395 -2.248 19.874 4.083 1.00 0.00 WT1 H ATOM 18984 H2 TIP3 6395 0.226 -26.696 9.986 1.00 0.00 WT1 H ATOM 18985 OH2 TIP3 6396 -3.146 -0.956 -4.468 1.00 0.00 WT1 O ATOM 18986 H1 TIP3 6396 4.552 28.691 -9.675 1.00 0.00 WT1 H ATOM 18987 H2 TIP3 6396 8.957 -7.382 4.837 1.00 0.00 WT1 H ATOM 18988 OH2 TIP3 6397 1.890 -5.636 -2.539 1.00 0.00 WT1 O ATOM 18989 H1 TIP3 6397 -1.338 -6.205 -2.452 1.00 0.00 WT1 H ATOM 18990 H2 TIP3 6397 -19.115 -10.937 -0.445 1.00 0.00 WT1 H ATOM 18991 OH2 TIP3 6400 -1.446 -1.452 -1.724 1.00 0.00 WT1 O ATOM 18992 H1 TIP3 6400 2.209 14.706 -7.795 1.00 0.00 WT1 H ATOM 18993 H2 TIP3 6400 -12.560 21.355 -10.241 1.00 0.00 WT1 H ATOM 18994 OH2 TIP3 6401 1.430 -0.213 7.824 1.00 0.00 WT1 O ATOM 18995 H1 TIP3 6401 -1.803 -2.193 3.666 1.00 0.00 WT1 H ATOM 18996 H2 TIP3 6401 -8.522 -6.199 -4.277 1.00 0.00 WT1 H ATOM 18997 OH2 TIP3 6402 -0.798 2.526 -0.769 1.00 0.00 WT1 O ATOM 18998 H1 TIP3 6402 -11.077 18.208 1.555 1.00 0.00 WT1 H ATOM 18999 H2 TIP3 6402 11.446 -30.336 15.232 1.00 0.00 WT1 H ATOM 19000 OH2 TIP3 6403 1.835 -5.071 -1.774 1.00 0.00 WT1 O ATOM 19001 H1 TIP3 6403 1.780 9.874 1.395 1.00 0.00 WT1 H ATOM 19002 H2 TIP3 6403 13.165 -21.858 7.175 1.00 0.00 WT1 H ATOM 19003 OH2 TIP3 6404 6.506 -1.534 0.458 1.00 0.00 WT1 O ATOM 19004 H1 TIP3 6404 -0.797 1.812 2.620 1.00 0.00 WT1 H ATOM 19005 H2 TIP3 6404 21.573 -6.245 10.114 1.00 0.00 WT1 H ATOM 19006 OH2 TIP3 6406 3.556 0.924 2.532 1.00 0.00 WT1 O ATOM 19007 H1 TIP3 6406 1.005 -0.394 6.638 1.00 0.00 WT1 H ATOM 19008 H2 TIP3 6406 0.244 3.027 -6.112 1.00 0.00 WT1 H ATOM 19009 OH2 TIP3 6407 0.119 -3.270 0.605 1.00 0.00 WT1 O ATOM 19010 H1 TIP3 6407 -0.845 0.850 -3.090 1.00 0.00 WT1 H ATOM 19011 H2 TIP3 6407 -0.567 -0.800 1.250 1.00 0.00 WT1 H ATOM 19012 OH2 TIP3 6408 -2.855 -0.559 1.327 1.00 0.00 WT1 O ATOM 19013 H1 TIP3 6408 -7.250 -1.608 -9.020 1.00 0.00 WT1 H ATOM 19014 H2 TIP3 6408 -2.168 -4.871 14.541 1.00 0.00 WT1 H ATOM 19015 OH2 TIP3 6409 -1.067 -1.433 -7.894 1.00 0.00 WT1 O ATOM 19016 H1 TIP3 6409 5.080 -8.007 -20.024 1.00 0.00 WT1 H ATOM 19017 H2 TIP3 6409 -6.233 -1.069 3.130 1.00 0.00 WT1 H ATOM 19018 OH2 TIP3 6410 -4.881 4.146 -1.655 1.00 0.00 WT1 O ATOM 19019 H1 TIP3 6410 7.935 -7.174 1.547 1.00 0.00 WT1 H ATOM 19020 H2 TIP3 6410 17.119 -25.122 -13.417 1.00 0.00 WT1 H ATOM 19021 OH2 TIP3 6411 -0.354 1.053 -3.997 1.00 0.00 WT1 O ATOM 19022 H1 TIP3 6411 0.531 9.145 -9.202 1.00 0.00 WT1 H ATOM 19023 H2 TIP3 6411 3.448 5.163 8.589 1.00 0.00 WT1 H ATOM 19024 OH2 TIP3 6412 -3.255 -1.746 -0.414 1.00 0.00 WT1 O ATOM 19025 H1 TIP3 6412 -19.882 5.830 2.487 1.00 0.00 WT1 H ATOM 19026 H2 TIP3 6412 -1.431 3.448 -3.721 1.00 0.00 WT1 H ATOM 19027 OH2 TIP3 6413 -2.038 -1.359 1.912 1.00 0.00 WT1 O ATOM 19028 H1 TIP3 6413 22.792 -7.500 16.068 1.00 0.00 WT1 H ATOM 19029 H2 TIP3 6413 -4.808 -20.523 -4.545 1.00 0.00 WT1 H ATOM 19030 OH2 TIP3 6415 -1.766 4.447 -4.425 1.00 0.00 WT1 O ATOM 19031 H1 TIP3 6415 -12.362 -4.794 -2.373 1.00 0.00 WT1 H ATOM 19032 H2 TIP3 6415 -12.784 3.248 -5.784 1.00 0.00 WT1 H ATOM 19033 OH2 TIP3 6417 2.779 3.446 5.340 1.00 0.00 WT1 O ATOM 19034 H1 TIP3 6417 0.849 7.424 -12.272 1.00 0.00 WT1 H ATOM 19035 H2 TIP3 6417 2.008 2.017 4.249 1.00 0.00 WT1 H ATOM 19036 OH2 TIP3 6418 3.726 -6.009 3.886 1.00 0.00 WT1 O ATOM 19037 H1 TIP3 6418 9.356 -4.840 2.758 1.00 0.00 WT1 H ATOM 19038 H2 TIP3 6418 -3.615 -23.738 -15.290 1.00 0.00 WT1 H ATOM 19039 OH2 TIP3 6419 2.622 5.167 -4.261 1.00 0.00 WT1 O ATOM 19040 H1 TIP3 6419 -2.769 18.372 1.550 1.00 0.00 WT1 H ATOM 19041 H2 TIP3 6419 14.687 9.634 -9.241 1.00 0.00 WT1 H ATOM 19042 OH2 TIP3 6420 1.355 -1.107 -3.662 1.00 0.00 WT1 O ATOM 19043 H1 TIP3 6420 5.690 20.278 24.256 1.00 0.00 WT1 H ATOM 19044 H2 TIP3 6420 10.421 0.728 -10.615 1.00 0.00 WT1 H ATOM 19045 OH2 TIP3 6421 -3.668 -6.638 5.426 1.00 0.00 WT1 O ATOM 19046 H1 TIP3 6421 2.296 10.604 3.014 1.00 0.00 WT1 H ATOM 19047 H2 TIP3 6421 -11.632 -6.814 23.873 1.00 0.00 WT1 H ATOM 19048 OH2 TIP3 6422 -0.634 -3.877 3.793 1.00 0.00 WT1 O ATOM 19049 H1 TIP3 6422 -8.498 13.305 8.932 1.00 0.00 WT1 H ATOM 19050 H2 TIP3 6422 -8.169 -3.727 0.005 1.00 0.00 WT1 H ATOM 19051 OH2 TIP3 6424 -3.081 -6.604 -0.380 1.00 0.00 WT1 O ATOM 19052 H1 TIP3 6424 -15.422 -2.634 -1.547 1.00 0.00 WT1 H ATOM 19053 H2 TIP3 6424 3.111 4.418 1.747 1.00 0.00 WT1 H ATOM 19054 OH2 TIP3 6425 3.980 2.678 0.962 1.00 0.00 WT1 O ATOM 19055 H1 TIP3 6425 22.368 11.076 -5.306 1.00 0.00 WT1 H ATOM 19056 H2 TIP3 6425 -20.021 -26.814 -5.910 1.00 0.00 WT1 H ATOM 19057 OH2 TIP3 6427 -1.648 -4.558 -1.014 1.00 0.00 WT1 O ATOM 19058 H1 TIP3 6427 -7.069 2.845 3.930 1.00 0.00 WT1 H ATOM 19059 H2 TIP3 6427 -19.849 1.702 -10.656 1.00 0.00 WT1 H ATOM 19060 OH2 TIP3 6428 -3.831 2.461 -5.475 1.00 0.00 WT1 O ATOM 19061 H1 TIP3 6428 -16.692 6.991 -18.073 1.00 0.00 WT1 H ATOM 19062 H2 TIP3 6428 12.590 -6.726 14.775 1.00 0.00 WT1 H ATOM 19063 OH2 TIP3 6429 1.143 -5.323 -0.585 1.00 0.00 WT1 O ATOM 19064 H1 TIP3 6429 10.748 -12.021 3.425 1.00 0.00 WT1 H ATOM 19065 H2 TIP3 6429 0.394 -3.867 -0.348 1.00 0.00 WT1 H ATOM 19066 OH2 TIP3 6430 -3.392 2.672 4.855 1.00 0.00 WT1 O ATOM 19067 H1 TIP3 6430 -7.871 13.178 -8.436 1.00 0.00 WT1 H ATOM 19068 H2 TIP3 6430 23.798 -12.413 -17.239 1.00 0.00 WT1 H ATOM 19069 OH2 TIP3 6431 2.328 -4.363 2.162 1.00 0.00 WT1 O ATOM 19070 H1 TIP3 6431 -3.204 12.364 -29.601 1.00 0.00 WT1 H ATOM 19071 H2 TIP3 6431 9.921 -3.990 4.598 1.00 0.00 WT1 H ATOM 19072 OH2 TIP3 6432 3.214 0.774 -4.991 1.00 0.00 WT1 O ATOM 19073 H1 TIP3 6432 -12.230 -12.763 -12.528 1.00 0.00 WT1 H ATOM 19074 H2 TIP3 6432 21.470 19.389 4.362 1.00 0.00 WT1 H ATOM 19075 OH2 TIP3 6433 3.248 -1.530 1.429 1.00 0.00 WT1 O ATOM 19076 H1 TIP3 6433 -16.781 -25.675 21.148 1.00 0.00 WT1 H ATOM 19077 H2 TIP3 6433 -7.287 9.624 0.489 1.00 0.00 WT1 H ATOM 19078 OH2 TIP3 6434 -0.008 2.488 2.423 1.00 0.00 WT1 O ATOM 19079 H1 TIP3 6434 3.883 6.227 -7.375 1.00 0.00 WT1 H ATOM 19080 H2 TIP3 6434 10.725 13.302 -27.116 1.00 0.00 WT1 H ATOM 19081 OH2 TIP3 6435 -4.574 -0.111 -2.650 1.00 0.00 WT1 O ATOM 19082 H1 TIP3 6435 -3.205 -5.385 -8.811 1.00 0.00 WT1 H ATOM 19083 H2 TIP3 6435 0.057 -0.014 6.922 1.00 0.00 WT1 H ATOM 19084 OH2 TIP3 6436 -2.745 -4.113 2.478 1.00 0.00 WT1 O ATOM 19085 H1 TIP3 6436 8.368 9.413 12.447 1.00 0.00 WT1 H ATOM 19086 H2 TIP3 6436 0.091 -19.015 -5.085 1.00 0.00 WT1 H ATOM 19087 OH2 TIP3 6437 -0.873 -1.685 5.968 1.00 0.00 WT1 O ATOM 19088 H1 TIP3 6437 0.393 -6.430 -28.141 1.00 0.00 WT1 H ATOM 19089 H2 TIP3 6437 15.559 -8.381 13.981 1.00 0.00 WT1 H ATOM 19090 OH2 TIP3 6438 0.785 0.139 -0.058 1.00 0.00 WT1 O ATOM 19091 H1 TIP3 6438 5.929 4.151 8.797 1.00 0.00 WT1 H ATOM 19092 H2 TIP3 6438 7.007 7.144 1.677 1.00 0.00 WT1 H ATOM 19093 OH2 TIP3 6439 10.838 3.592 -3.702 1.00 0.00 WT1 O ATOM 19094 H1 TIP3 6439 1.908 8.855 -1.223 1.00 0.00 WT1 H ATOM 19095 H2 TIP3 6439 11.432 -3.606 -4.321 1.00 0.00 WT1 H ATOM 19096 OH2 TIP3 6440 -8.655 2.110 -1.743 1.00 0.00 WT1 O ATOM 19097 H1 TIP3 6440 -3.766 2.064 -2.908 1.00 0.00 WT1 H ATOM 19098 H2 TIP3 6440 18.364 2.866 -8.064 1.00 0.00 WT1 H ATOM 19099 OH2 TIP3 6441 2.943 2.208 0.825 1.00 0.00 WT1 O ATOM 19100 H1 TIP3 6441 -18.936 17.912 -17.731 1.00 0.00 WT1 H ATOM 19101 H2 TIP3 6441 -10.034 3.080 17.519 1.00 0.00 WT1 H ATOM 19102 OH2 TIP3 6442 0.507 -1.375 -0.719 1.00 0.00 WT1 O ATOM 19103 H1 TIP3 6442 -1.857 0.060 -6.104 1.00 0.00 WT1 H ATOM 19104 H2 TIP3 6442 -7.113 -14.015 -14.456 1.00 0.00 WT1 H ATOM 19105 OH2 TIP3 6443 -4.769 -0.786 -11.772 1.00 0.00 WT1 O ATOM 19106 H1 TIP3 6443 -3.419 -10.181 -1.812 1.00 0.00 WT1 H ATOM 19107 H2 TIP3 6443 11.847 0.961 -17.254 1.00 0.00 WT1 H ATOM 19108 OH2 TIP3 6444 1.393 5.400 1.685 1.00 0.00 WT1 O ATOM 19109 H1 TIP3 6444 0.265 8.126 -1.234 1.00 0.00 WT1 H ATOM 19110 H2 TIP3 6444 -0.748 7.067 2.338 1.00 0.00 WT1 H ATOM 19111 OH2 TIP3 6446 -0.248 -2.696 1.955 1.00 0.00 WT1 O ATOM 19112 H1 TIP3 6446 -16.363 -6.600 -24.782 1.00 0.00 WT1 H ATOM 19113 H2 TIP3 6446 -23.492 -13.151 18.668 1.00 0.00 WT1 H ATOM 19114 OH2 TIP3 6448 -1.270 5.957 3.894 1.00 0.00 WT1 O ATOM 19115 H1 TIP3 6448 -6.654 13.876 9.503 1.00 0.00 WT1 H ATOM 19116 H2 TIP3 6448 5.759 -27.751 17.533 1.00 0.00 WT1 H ATOM 19117 OH2 TIP3 6449 -4.049 3.883 -0.057 1.00 0.00 WT1 O ATOM 19118 H1 TIP3 6449 -4.418 1.772 4.293 1.00 0.00 WT1 H ATOM 19119 H2 TIP3 6449 -5.705 -7.461 18.328 1.00 0.00 WT1 H ATOM 19120 OH2 TIP3 6450 2.602 -0.055 0.510 1.00 0.00 WT1 O ATOM 19121 H1 TIP3 6450 -2.851 -14.164 -7.942 1.00 0.00 WT1 H ATOM 19122 H2 TIP3 6450 -13.473 23.353 12.283 1.00 0.00 WT1 H ATOM 19123 OH2 TIP3 6451 -6.208 2.207 -2.528 1.00 0.00 WT1 O ATOM 19124 H1 TIP3 6451 -9.061 6.353 3.012 1.00 0.00 WT1 H ATOM 19125 H2 TIP3 6451 -6.109 -4.787 -4.851 1.00 0.00 WT1 H ATOM 19126 OH2 TIP3 6452 5.278 1.011 7.248 1.00 0.00 WT1 O ATOM 19127 H1 TIP3 6452 17.154 5.755 12.929 1.00 0.00 WT1 H ATOM 19128 H2 TIP3 6452 -8.237 -5.136 3.622 1.00 0.00 WT1 H ATOM 19129 OH2 TIP3 6453 2.138 3.483 3.733 1.00 0.00 WT1 O ATOM 19130 H1 TIP3 6453 15.017 8.310 3.226 1.00 0.00 WT1 H ATOM 19131 H2 TIP3 6453 -10.300 8.131 9.702 1.00 0.00 WT1 H ATOM 19132 OH2 TIP3 6454 -6.994 -0.433 7.017 1.00 0.00 WT1 O ATOM 19133 H1 TIP3 6454 6.042 11.863 11.338 1.00 0.00 WT1 H ATOM 19134 H2 TIP3 6454 7.542 -14.691 2.668 1.00 0.00 WT1 H ATOM 19135 OH2 TIP3 6455 -1.813 -4.039 -3.998 1.00 0.00 WT1 O ATOM 19136 H1 TIP3 6455 20.750 0.756 -15.099 1.00 0.00 WT1 H ATOM 19137 H2 TIP3 6455 -12.734 -14.141 1.130 1.00 0.00 WT1 H ATOM 19138 OH2 TIP3 6456 6.491 4.962 3.228 1.00 0.00 WT1 O ATOM 19139 H1 TIP3 6456 -1.114 -7.704 -28.037 1.00 0.00 WT1 H ATOM 19140 H2 TIP3 6456 37.774 16.136 0.021 1.00 0.00 WT1 H ATOM 19141 OH2 TIP3 6457 1.145 -2.838 -0.173 1.00 0.00 WT1 O ATOM 19142 H1 TIP3 6457 24.840 1.248 -5.429 1.00 0.00 WT1 H ATOM 19143 H2 TIP3 6457 -17.313 8.304 -2.717 1.00 0.00 WT1 H ATOM 19144 OH2 TIP3 6461 1.914 0.133 -1.365 1.00 0.00 WT1 O ATOM 19145 H1 TIP3 6461 -7.632 0.056 -0.272 1.00 0.00 WT1 H ATOM 19146 H2 TIP3 6461 11.241 5.170 17.569 1.00 0.00 WT1 H ATOM 19147 OH2 TIP3 6462 -2.633 5.058 0.606 1.00 0.00 WT1 O ATOM 19148 H1 TIP3 6462 8.899 5.074 6.911 1.00 0.00 WT1 H ATOM 19149 H2 TIP3 6462 -6.610 -5.696 0.848 1.00 0.00 WT1 H ATOM 19150 OH2 TIP3 6464 0.390 0.282 -2.102 1.00 0.00 WT1 O ATOM 19151 H1 TIP3 6464 13.768 1.367 -8.166 1.00 0.00 WT1 H ATOM 19152 H2 TIP3 6464 -12.818 0.481 -0.145 1.00 0.00 WT1 H ATOM 19153 OH2 TIP3 6465 1.543 -1.631 3.537 1.00 0.00 WT1 O ATOM 19154 H1 TIP3 6465 -1.419 0.363 -5.228 1.00 0.00 WT1 H ATOM 19155 H2 TIP3 6465 14.031 14.551 2.919 1.00 0.00 WT1 H ATOM 19156 OH2 TIP3 6467 1.884 2.450 -3.337 1.00 0.00 WT1 O ATOM 19157 H1 TIP3 6467 2.355 4.165 5.328 1.00 0.00 WT1 H ATOM 19158 H2 TIP3 6467 5.317 10.507 5.306 1.00 0.00 WT1 H ATOM 19159 OH2 TIP3 6468 1.616 8.909 -2.010 1.00 0.00 WT1 O ATOM 19160 H1 TIP3 6468 16.028 -2.971 18.314 1.00 0.00 WT1 H ATOM 19161 H2 TIP3 6468 2.712 28.909 -11.644 1.00 0.00 WT1 H ATOM 19162 OH2 TIP3 6469 2.849 -0.187 -0.025 1.00 0.00 WT1 O ATOM 19163 H1 TIP3 6469 3.442 -0.428 -0.518 1.00 0.00 WT1 H ATOM 19164 H2 TIP3 6469 6.153 -0.799 3.738 1.00 0.00 WT1 H ATOM 19165 OH2 TIP3 6470 -2.476 -0.857 1.052 1.00 0.00 WT1 O ATOM 19166 H1 TIP3 6470 4.041 -2.581 0.512 1.00 0.00 WT1 H ATOM 19167 H2 TIP3 6470 -6.832 0.491 5.184 1.00 0.00 WT1 H ATOM 19168 OH2 TIP3 6471 1.218 5.664 3.225 1.00 0.00 WT1 O ATOM 19169 H1 TIP3 6471 12.393 -6.129 1.260 1.00 0.00 WT1 H ATOM 19170 H2 TIP3 6471 -4.883 10.705 -12.087 1.00 0.00 WT1 H ATOM 19171 OH2 TIP3 6472 0.842 0.554 -0.281 1.00 0.00 WT1 O ATOM 19172 H1 TIP3 6472 -3.721 -23.562 -10.312 1.00 0.00 WT1 H ATOM 19173 H2 TIP3 6472 8.140 -0.362 14.295 1.00 0.00 WT1 H ATOM 19174 OH2 TIP3 6474 -4.560 2.758 -0.439 1.00 0.00 WT1 O ATOM 19175 H1 TIP3 6474 -4.387 13.598 -1.298 1.00 0.00 WT1 H ATOM 19176 H2 TIP3 6474 22.650 -29.327 -25.160 1.00 0.00 WT1 H ATOM 19177 OH2 TIP3 6475 -1.355 0.032 -2.458 1.00 0.00 WT1 O ATOM 19178 H1 TIP3 6475 0.939 15.616 16.524 1.00 0.00 WT1 H ATOM 19179 H2 TIP3 6475 17.372 -2.755 -13.606 1.00 0.00 WT1 H ATOM 19180 OH2 TIP3 6476 7.229 -2.554 -2.419 1.00 0.00 WT1 O ATOM 19181 H1 TIP3 6476 -2.694 2.419 -7.336 1.00 0.00 WT1 H ATOM 19182 H2 TIP3 6476 0.969 -9.813 -6.868 1.00 0.00 WT1 H ATOM 19183 OH2 TIP3 6478 -1.248 3.256 -0.944 1.00 0.00 WT1 O ATOM 19184 H1 TIP3 6478 -17.542 13.858 -5.513 1.00 0.00 WT1 H ATOM 19185 H2 TIP3 6478 -18.905 -10.139 18.414 1.00 0.00 WT1 H ATOM 19186 OH2 TIP3 6479 1.698 -3.721 1.119 1.00 0.00 WT1 O ATOM 19187 H1 TIP3 6479 -28.653 -3.580 -32.259 1.00 0.00 WT1 H ATOM 19188 H2 TIP3 6479 -2.970 -10.079 -13.736 1.00 0.00 WT1 H ATOM 19189 OH2 TIP3 6481 0.526 -2.014 -4.663 1.00 0.00 WT1 O ATOM 19190 H1 TIP3 6481 -1.894 11.096 0.769 1.00 0.00 WT1 H ATOM 19191 H2 TIP3 6481 -15.314 -10.828 -11.494 1.00 0.00 WT1 H ATOM 19192 OH2 TIP3 6482 3.662 0.668 -3.916 1.00 0.00 WT1 O ATOM 19193 H1 TIP3 6482 16.966 -8.735 4.417 1.00 0.00 WT1 H ATOM 19194 H2 TIP3 6482 -2.922 4.017 -9.065 1.00 0.00 WT1 H ATOM 19195 OH2 TIP3 6483 -4.719 -1.271 0.966 1.00 0.00 WT1 O ATOM 19196 H1 TIP3 6483 -3.938 1.310 10.469 1.00 0.00 WT1 H ATOM 19197 H2 TIP3 6483 5.283 5.333 -2.367 1.00 0.00 WT1 H ATOM 19198 OH2 TIP3 6486 2.415 0.833 4.193 1.00 0.00 WT1 O ATOM 19199 H1 TIP3 6486 -9.892 9.923 0.596 1.00 0.00 WT1 H ATOM 19200 H2 TIP3 6486 21.998 1.850 7.196 1.00 0.00 WT1 H ATOM 19201 OH2 TIP3 6488 3.168 -5.540 0.883 1.00 0.00 WT1 O ATOM 19202 H1 TIP3 6488 3.699 -4.668 -15.980 1.00 0.00 WT1 H ATOM 19203 H2 TIP3 6488 -5.210 17.551 -1.583 1.00 0.00 WT1 H ATOM 19204 OH2 TIP3 6489 -6.117 2.762 6.459 1.00 0.00 WT1 O ATOM 19205 H1 TIP3 6489 23.729 9.767 9.934 1.00 0.00 WT1 H ATOM 19206 H2 TIP3 6489 -2.806 3.966 6.736 1.00 0.00 WT1 H ATOM 19207 OH2 TIP3 6490 -3.827 -1.665 3.697 1.00 0.00 WT1 O ATOM 19208 H1 TIP3 6490 -4.828 6.217 -1.210 1.00 0.00 WT1 H ATOM 19209 H2 TIP3 6490 -4.568 8.234 5.751 1.00 0.00 WT1 H ATOM 19210 OH2 TIP3 6491 0.728 0.025 0.775 1.00 0.00 WT1 O ATOM 19211 H1 TIP3 6491 -14.341 13.970 -5.806 1.00 0.00 WT1 H ATOM 19212 H2 TIP3 6491 -9.285 -6.269 -6.187 1.00 0.00 WT1 H ATOM 19213 OH2 TIP3 6492 -3.498 -3.527 2.579 1.00 0.00 WT1 O ATOM 19214 H1 TIP3 6492 5.843 -15.933 11.949 1.00 0.00 WT1 H ATOM 19215 H2 TIP3 6492 10.949 -2.515 -3.506 1.00 0.00 WT1 H ATOM 19216 OH2 TIP3 6493 -4.345 6.196 4.435 1.00 0.00 WT1 O ATOM 19217 H1 TIP3 6493 -0.432 -2.745 14.948 1.00 0.00 WT1 H ATOM 19218 H2 TIP3 6493 3.824 2.511 5.083 1.00 0.00 WT1 H ATOM 19219 OH2 TIP3 6494 2.669 -3.722 5.566 1.00 0.00 WT1 O ATOM 19220 H1 TIP3 6494 2.562 7.670 1.035 1.00 0.00 WT1 H ATOM 19221 H2 TIP3 6494 10.454 -3.931 11.946 1.00 0.00 WT1 H ATOM 19222 OH2 TIP3 6495 -2.994 -4.464 0.282 1.00 0.00 WT1 O ATOM 19223 H1 TIP3 6495 -15.795 -17.776 5.534 1.00 0.00 WT1 H ATOM 19224 H2 TIP3 6495 5.187 34.124 -18.996 1.00 0.00 WT1 H ATOM 19225 OH2 TIP3 6496 -5.625 1.317 3.002 1.00 0.00 WT1 O ATOM 19226 H1 TIP3 6496 0.923 -26.380 1.070 1.00 0.00 WT1 H ATOM 19227 H2 TIP3 6496 5.773 -12.265 -5.909 1.00 0.00 WT1 H ATOM 19228 OH2 TIP3 6497 3.661 -1.338 -0.384 1.00 0.00 WT1 O ATOM 19229 H1 TIP3 6497 19.478 -10.286 0.159 1.00 0.00 WT1 H ATOM 19230 H2 TIP3 6497 7.309 16.730 -8.855 1.00 0.00 WT1 H ATOM 19231 OH2 TIP3 6499 -0.259 3.785 4.282 1.00 0.00 WT1 O ATOM 19232 H1 TIP3 6499 -0.724 -24.063 -4.264 1.00 0.00 WT1 H ATOM 19233 H2 TIP3 6499 10.715 -5.717 -4.384 1.00 0.00 WT1 H ATOM 19234 OH2 TIP3 6500 0.862 3.937 -1.843 1.00 0.00 WT1 O ATOM 19235 H1 TIP3 6500 2.446 0.120 0.490 1.00 0.00 WT1 H ATOM 19236 H2 TIP3 6500 1.738 3.383 -5.767 1.00 0.00 WT1 H ATOM 19237 OH2 TIP3 6501 -1.221 -7.761 4.123 1.00 0.00 WT1 O ATOM 19238 H1 TIP3 6501 -11.985 16.730 -3.747 1.00 0.00 WT1 H ATOM 19239 H2 TIP3 6501 -22.412 18.971 -6.689 1.00 0.00 WT1 H ATOM 19240 OH2 TIP3 6503 -7.671 -6.824 -0.274 1.00 0.00 WT1 O ATOM 19241 H1 TIP3 6503 -26.564 4.205 -20.946 1.00 0.00 WT1 H ATOM 19242 H2 TIP3 6503 0.203 0.727 7.780 1.00 0.00 WT1 H ATOM 19243 OH2 TIP3 6506 -1.140 -1.352 -4.194 1.00 0.00 WT1 O ATOM 19244 H1 TIP3 6506 -3.244 -1.994 0.901 1.00 0.00 WT1 H ATOM 19245 H2 TIP3 6506 0.190 -12.355 8.885 1.00 0.00 WT1 H ATOM 19246 OH2 TIP3 6508 -8.429 4.947 2.434 1.00 0.00 WT1 O ATOM 19247 H1 TIP3 6508 1.919 8.447 11.592 1.00 0.00 WT1 H ATOM 19248 H2 TIP3 6508 -3.913 10.817 -9.368 1.00 0.00 WT1 H ATOM 19249 OH2 TIP3 6509 1.988 2.673 -1.865 1.00 0.00 WT1 O ATOM 19250 H1 TIP3 6509 -0.741 4.782 -1.848 1.00 0.00 WT1 H ATOM 19251 H2 TIP3 6509 4.714 2.139 -6.349 1.00 0.00 WT1 H ATOM 19252 OH2 TIP3 6510 -2.174 1.263 2.726 1.00 0.00 WT1 O ATOM 19253 H1 TIP3 6510 -17.631 3.019 -0.520 1.00 0.00 WT1 H ATOM 19254 H2 TIP3 6510 25.874 -7.513 10.932 1.00 0.00 WT1 H ATOM 19255 OH2 TIP3 6511 1.722 -3.188 -2.542 1.00 0.00 WT1 O ATOM 19256 H1 TIP3 6511 -22.906 1.600 1.203 1.00 0.00 WT1 H ATOM 19257 H2 TIP3 6511 -14.887 6.647 14.489 1.00 0.00 WT1 H ATOM 19258 OH2 TIP3 6512 -2.976 0.648 4.252 1.00 0.00 WT1 O ATOM 19259 H1 TIP3 6512 -18.926 5.961 -14.087 1.00 0.00 WT1 H ATOM 19260 H2 TIP3 6512 -9.738 7.738 -7.406 1.00 0.00 WT1 H ATOM 19261 OH2 TIP3 6513 -5.913 0.435 -2.080 1.00 0.00 WT1 O ATOM 19262 H1 TIP3 6513 -21.658 5.894 -4.220 1.00 0.00 WT1 H ATOM 19263 H2 TIP3 6513 -24.480 5.251 -8.468 1.00 0.00 WT1 H ATOM 19264 OH2 TIP3 6514 2.777 0.335 -0.855 1.00 0.00 WT1 O ATOM 19265 H1 TIP3 6514 -7.669 -5.250 -10.330 1.00 0.00 WT1 H ATOM 19266 H2 TIP3 6514 6.121 2.065 1.110 1.00 0.00 WT1 H ATOM 19267 OH2 TIP3 6515 2.054 -2.706 9.737 1.00 0.00 WT1 O ATOM 19268 H1 TIP3 6515 10.990 -16.426 1.469 1.00 0.00 WT1 H ATOM 19269 H2 TIP3 6515 -8.350 5.355 -4.904 1.00 0.00 WT1 H ATOM 19270 OH2 TIP3 6516 2.241 -1.802 -6.638 1.00 0.00 WT1 O ATOM 19271 H1 TIP3 6516 2.134 -12.783 33.293 1.00 0.00 WT1 H ATOM 19272 H2 TIP3 6516 2.616 11.074 -24.430 1.00 0.00 WT1 H ATOM 19273 OH2 TIP3 6518 5.466 -0.524 -2.224 1.00 0.00 WT1 O ATOM 19274 H1 TIP3 6518 6.088 0.040 -3.350 1.00 0.00 WT1 H ATOM 19275 H2 TIP3 6518 12.550 -7.737 6.177 1.00 0.00 WT1 H ATOM 19276 OH2 TIP3 6519 -0.718 -0.753 -0.740 1.00 0.00 WT1 O ATOM 19277 H1 TIP3 6519 -1.352 -6.592 32.349 1.00 0.00 WT1 H ATOM 19278 H2 TIP3 6519 -18.214 -30.329 -11.042 1.00 0.00 WT1 H ATOM 19279 OH2 TIP3 6521 2.470 -5.988 3.365 1.00 0.00 WT1 O ATOM 19280 H1 TIP3 6521 -3.247 -3.311 4.119 1.00 0.00 WT1 H ATOM 19281 H2 TIP3 6521 -1.741 -7.721 4.737 1.00 0.00 WT1 H ATOM 19282 OH2 TIP3 6522 3.081 3.503 5.143 1.00 0.00 WT1 O ATOM 19283 H1 TIP3 6522 -7.645 7.348 0.569 1.00 0.00 WT1 H ATOM 19284 H2 TIP3 6522 3.945 6.420 9.146 1.00 0.00 WT1 H ATOM 19285 OH2 TIP3 6524 10.022 -9.648 -5.961 1.00 0.00 WT1 O ATOM 19286 H1 TIP3 6524 19.618 10.717 -2.361 1.00 0.00 WT1 H ATOM 19287 H2 TIP3 6524 -5.503 24.246 -11.439 1.00 0.00 WT1 H ATOM 19288 OH2 TIP3 6527 -0.820 -6.366 8.148 1.00 0.00 WT1 O ATOM 19289 H1 TIP3 6527 6.667 -12.348 15.199 1.00 0.00 WT1 H ATOM 19290 H2 TIP3 6527 -7.881 -21.299 15.382 1.00 0.00 WT1 H ATOM 19291 OH2 TIP3 6530 -1.589 -5.885 -7.346 1.00 0.00 WT1 O ATOM 19292 H1 TIP3 6530 -7.227 -10.242 -20.054 1.00 0.00 WT1 H ATOM 19293 H2 TIP3 6530 -9.332 0.665 1.551 1.00 0.00 WT1 H ATOM 19294 OH2 TIP3 6531 -2.566 -4.876 4.651 1.00 0.00 WT1 O ATOM 19295 H1 TIP3 6531 -3.329 1.333 20.891 1.00 0.00 WT1 H ATOM 19296 H2 TIP3 6531 -12.747 -19.424 23.212 1.00 0.00 WT1 H ATOM 19297 OH2 TIP3 6532 2.448 -5.491 3.455 1.00 0.00 WT1 O ATOM 19298 H1 TIP3 6532 -0.899 -4.032 -0.708 1.00 0.00 WT1 H ATOM 19299 H2 TIP3 6532 4.255 -8.220 9.921 1.00 0.00 WT1 H ATOM 19300 OH2 TIP3 6533 -0.933 -7.934 -1.862 1.00 0.00 WT1 O ATOM 19301 H1 TIP3 6533 14.885 -15.781 -0.105 1.00 0.00 WT1 H ATOM 19302 H2 TIP3 6533 -1.714 21.918 4.157 1.00 0.00 WT1 H ATOM 19303 OH2 TIP3 6534 -2.509 -2.338 2.262 1.00 0.00 WT1 O ATOM 19304 H1 TIP3 6534 -6.338 4.167 -9.196 1.00 0.00 WT1 H ATOM 19305 H2 TIP3 6534 -15.821 -6.535 23.156 1.00 0.00 WT1 H ATOM 19306 OH2 TIP3 6535 1.879 6.005 2.755 1.00 0.00 WT1 O ATOM 19307 H1 TIP3 6535 -11.087 10.273 -16.174 1.00 0.00 WT1 H ATOM 19308 H2 TIP3 6535 -7.581 14.150 -2.929 1.00 0.00 WT1 H ATOM 19309 OH2 TIP3 6536 -1.001 7.021 3.024 1.00 0.00 WT1 O ATOM 19310 H1 TIP3 6536 -20.416 -13.283 20.656 1.00 0.00 WT1 H ATOM 19311 H2 TIP3 6536 4.961 5.112 3.316 1.00 0.00 WT1 H ATOM 19312 OH2 TIP3 6537 2.052 -1.641 0.707 1.00 0.00 WT1 O ATOM 19313 H1 TIP3 6537 3.253 0.649 18.640 1.00 0.00 WT1 H ATOM 19314 H2 TIP3 6537 2.175 -5.609 -9.925 1.00 0.00 WT1 H ATOM 19315 OH2 TIP3 6540 -1.503 -0.207 3.396 1.00 0.00 WT1 O ATOM 19316 H1 TIP3 6540 -7.275 3.114 4.747 1.00 0.00 WT1 H ATOM 19317 H2 TIP3 6540 7.236 0.819 6.342 1.00 0.00 WT1 H ATOM 19318 OH2 TIP3 6541 3.673 -0.023 -0.578 1.00 0.00 WT1 O ATOM 19319 H1 TIP3 6541 18.401 -23.688 -0.067 1.00 0.00 WT1 H ATOM 19320 H2 TIP3 6541 7.392 15.919 -10.198 1.00 0.00 WT1 H ATOM 19321 OH2 TIP3 6543 -6.112 7.965 3.156 1.00 0.00 WT1 O ATOM 19322 H1 TIP3 6543 -5.447 0.618 10.780 1.00 0.00 WT1 H ATOM 19323 H2 TIP3 6543 -3.839 18.991 -9.413 1.00 0.00 WT1 H ATOM 19324 OH2 TIP3 6544 6.881 -0.178 7.590 1.00 0.00 WT1 O ATOM 19325 H1 TIP3 6544 -2.949 -2.469 -0.366 1.00 0.00 WT1 H ATOM 19326 H2 TIP3 6544 2.173 21.755 32.479 1.00 0.00 WT1 H ATOM 19327 OH2 TIP3 6546 2.471 -0.170 -0.382 1.00 0.00 WT1 O ATOM 19328 H1 TIP3 6546 -17.019 11.561 -8.994 1.00 0.00 WT1 H ATOM 19329 H2 TIP3 6546 -6.917 -11.202 11.227 1.00 0.00 WT1 H ATOM 19330 OH2 TIP3 6547 0.952 0.646 1.772 1.00 0.00 WT1 O ATOM 19331 H1 TIP3 6547 2.148 18.362 -2.363 1.00 0.00 WT1 H ATOM 19332 H2 TIP3 6547 -0.684 -15.131 3.204 1.00 0.00 WT1 H ATOM 19333 OH2 TIP3 6548 2.666 4.281 0.066 1.00 0.00 WT1 O ATOM 19334 H1 TIP3 6548 11.561 22.563 0.168 1.00 0.00 WT1 H ATOM 19335 H2 TIP3 6548 -6.027 4.950 -12.370 1.00 0.00 WT1 H ATOM 19336 OH2 TIP3 6549 6.875 -3.671 0.854 1.00 0.00 WT1 O ATOM 19337 H1 TIP3 6549 4.211 -3.475 1.241 1.00 0.00 WT1 H ATOM 19338 H2 TIP3 6549 -17.482 -3.374 0.195 1.00 0.00 WT1 H ATOM 19339 OH2 TIP3 6551 -0.339 0.104 4.916 1.00 0.00 WT1 O ATOM 19340 H1 TIP3 6551 4.734 4.999 -8.465 1.00 0.00 WT1 H ATOM 19341 H2 TIP3 6551 16.248 -4.376 -9.132 1.00 0.00 WT1 H ATOM 19342 OH2 TIP3 6552 -0.908 6.829 -6.002 1.00 0.00 WT1 O ATOM 19343 H1 TIP3 6552 -2.627 6.040 -7.898 1.00 0.00 WT1 H ATOM 19344 H2 TIP3 6552 -17.031 -5.725 -0.415 1.00 0.00 WT1 H ATOM 19345 OH2 TIP3 6553 -4.182 3.632 -5.528 1.00 0.00 WT1 O ATOM 19346 H1 TIP3 6553 -2.230 -17.221 -13.275 1.00 0.00 WT1 H ATOM 19347 H2 TIP3 6553 13.134 -6.375 -6.708 1.00 0.00 WT1 H ATOM 19348 OH2 TIP3 6555 3.580 -2.374 5.645 1.00 0.00 WT1 O ATOM 19349 H1 TIP3 6555 -12.595 8.372 9.963 1.00 0.00 WT1 H ATOM 19350 H2 TIP3 6555 3.211 -1.159 -13.315 1.00 0.00 WT1 H ATOM 19351 OH2 TIP3 6556 -2.528 3.261 -5.339 1.00 0.00 WT1 O ATOM 19352 H1 TIP3 6556 20.670 9.348 -7.297 1.00 0.00 WT1 H ATOM 19353 H2 TIP3 6556 -13.242 17.003 27.043 1.00 0.00 WT1 H ATOM 19354 OH2 TIP3 6558 1.146 -0.398 1.617 1.00 0.00 WT1 O ATOM 19355 H1 TIP3 6558 7.163 1.185 8.369 1.00 0.00 WT1 H ATOM 19356 H2 TIP3 6558 5.044 6.200 -6.642 1.00 0.00 WT1 H ATOM 19357 OH2 TIP3 6559 5.305 3.512 -4.043 1.00 0.00 WT1 O ATOM 19358 H1 TIP3 6559 -10.207 2.704 -26.795 1.00 0.00 WT1 H ATOM 19359 H2 TIP3 6559 9.545 25.960 1.347 1.00 0.00 WT1 H ATOM 19360 OH2 TIP3 6560 -1.281 -9.289 -1.426 1.00 0.00 WT1 O ATOM 19361 H1 TIP3 6560 3.128 2.698 5.858 1.00 0.00 WT1 H ATOM 19362 H2 TIP3 6560 8.923 12.728 18.181 1.00 0.00 WT1 H ATOM 19363 OH2 TIP3 6561 -0.594 8.326 6.740 1.00 0.00 WT1 O ATOM 19364 H1 TIP3 6561 5.012 10.444 -10.080 1.00 0.00 WT1 H ATOM 19365 H2 TIP3 6561 3.124 3.934 -4.436 1.00 0.00 WT1 H ATOM 19366 OH2 TIP3 6564 -4.425 4.394 7.068 1.00 0.00 WT1 O ATOM 19367 H1 TIP3 6564 -9.282 -6.495 -6.903 1.00 0.00 WT1 H ATOM 19368 H2 TIP3 6564 -1.245 13.000 18.642 1.00 0.00 WT1 H ATOM 19369 OH2 TIP3 6565 2.450 0.155 -1.068 1.00 0.00 WT1 O ATOM 19370 H1 TIP3 6565 9.901 -8.490 -13.022 1.00 0.00 WT1 H ATOM 19371 H2 TIP3 6565 -10.958 19.815 -4.434 1.00 0.00 WT1 H ATOM 19372 OH2 TIP3 6566 -2.616 0.713 -0.640 1.00 0.00 WT1 O ATOM 19373 H1 TIP3 6566 12.827 -15.562 17.904 1.00 0.00 WT1 H ATOM 19374 H2 TIP3 6566 19.349 3.143 -22.518 1.00 0.00 WT1 H ATOM 19375 OH2 TIP3 6569 -3.572 -1.561 -1.534 1.00 0.00 WT1 O ATOM 19376 H1 TIP3 6569 -1.539 11.090 11.076 1.00 0.00 WT1 H ATOM 19377 H2 TIP3 6569 -10.333 29.536 -15.793 1.00 0.00 WT1 H ATOM 19378 OH2 TIP3 6570 2.467 3.325 -4.664 1.00 0.00 WT1 O ATOM 19379 H1 TIP3 6570 -9.023 -1.796 -10.824 1.00 0.00 WT1 H ATOM 19380 H2 TIP3 6570 15.042 -8.636 4.572 1.00 0.00 WT1 H ATOM 19381 OH2 TIP3 6571 1.313 -0.515 1.455 1.00 0.00 WT1 O ATOM 19382 H1 TIP3 6571 8.572 -1.482 0.224 1.00 0.00 WT1 H ATOM 19383 H2 TIP3 6571 2.246 -5.308 -1.074 1.00 0.00 WT1 H ATOM 19384 OH2 TIP3 6573 -0.761 -2.648 1.419 1.00 0.00 WT1 O ATOM 19385 H1 TIP3 6573 -19.960 -9.919 -8.199 1.00 0.00 WT1 H ATOM 19386 H2 TIP3 6573 -12.160 10.041 -4.822 1.00 0.00 WT1 H ATOM 19387 OH2 TIP3 6574 -7.512 -1.589 3.169 1.00 0.00 WT1 O ATOM 19388 H1 TIP3 6574 11.127 -28.633 -12.689 1.00 0.00 WT1 H ATOM 19389 H2 TIP3 6574 3.109 -10.935 -32.543 1.00 0.00 WT1 H ATOM 19390 OH2 TIP3 6575 0.564 -2.974 -0.969 1.00 0.00 WT1 O ATOM 19391 H1 TIP3 6575 -0.422 -4.948 1.372 1.00 0.00 WT1 H ATOM 19392 H2 TIP3 6575 -3.787 -12.738 -0.178 1.00 0.00 WT1 H ATOM 19393 OH2 TIP3 6576 -5.633 4.522 -2.340 1.00 0.00 WT1 O ATOM 19394 H1 TIP3 6576 -5.410 -6.534 -8.973 1.00 0.00 WT1 H ATOM 19395 H2 TIP3 6576 5.244 -4.245 -16.315 1.00 0.00 WT1 H ATOM 19396 OH2 TIP3 6577 -0.333 -1.257 4.524 1.00 0.00 WT1 O ATOM 19397 H1 TIP3 6577 -0.839 -0.938 19.951 1.00 0.00 WT1 H ATOM 19398 H2 TIP3 6577 0.623 -2.505 2.314 1.00 0.00 WT1 H ATOM 19399 OH2 TIP3 6578 1.522 6.284 -3.401 1.00 0.00 WT1 O ATOM 19400 H1 TIP3 6578 -17.001 -20.048 8.346 1.00 0.00 WT1 H ATOM 19401 H2 TIP3 6578 -15.480 -12.994 -10.213 1.00 0.00 WT1 H ATOM 19402 OH2 TIP3 6579 -3.821 2.128 3.739 1.00 0.00 WT1 O ATOM 19403 H1 TIP3 6579 7.916 -7.374 9.054 1.00 0.00 WT1 H ATOM 19404 H2 TIP3 6579 -16.225 -8.206 13.046 1.00 0.00 WT1 H ATOM 19405 OH2 TIP3 6580 1.895 3.495 5.020 1.00 0.00 WT1 O ATOM 19406 H1 TIP3 6580 0.777 -5.087 2.905 1.00 0.00 WT1 H ATOM 19407 H2 TIP3 6580 0.069 7.539 13.064 1.00 0.00 WT1 H ATOM 19408 OH2 TIP3 6581 3.115 7.864 2.557 1.00 0.00 WT1 O ATOM 19409 H1 TIP3 6581 -18.921 11.989 -7.021 1.00 0.00 WT1 H ATOM 19410 H2 TIP3 6581 -6.317 2.238 -7.398 1.00 0.00 WT1 H ATOM 19411 OH2 TIP3 6583 3.100 0.175 -0.838 1.00 0.00 WT1 O ATOM 19412 H1 TIP3 6583 12.416 4.268 10.538 1.00 0.00 WT1 H ATOM 19413 H2 TIP3 6583 3.018 8.024 -4.798 1.00 0.00 WT1 H ATOM 19414 OH2 TIP3 6584 1.080 0.404 0.411 1.00 0.00 WT1 O ATOM 19415 H1 TIP3 6584 -2.237 8.222 0.227 1.00 0.00 WT1 H ATOM 19416 H2 TIP3 6584 11.582 -10.473 0.153 1.00 0.00 WT1 H ATOM 19417 OH2 TIP3 6585 1.251 3.760 1.074 1.00 0.00 WT1 O ATOM 19418 H1 TIP3 6585 -4.608 0.194 2.767 1.00 0.00 WT1 H ATOM 19419 H2 TIP3 6585 0.747 13.666 0.869 1.00 0.00 WT1 H ATOM 19420 OH2 TIP3 6586 -1.283 0.965 -2.504 1.00 0.00 WT1 O ATOM 19421 H1 TIP3 6586 -5.357 -8.623 6.671 1.00 0.00 WT1 H ATOM 19422 H2 TIP3 6586 -13.266 1.087 13.804 1.00 0.00 WT1 H ATOM 19423 OH2 TIP3 6587 1.214 5.481 4.090 1.00 0.00 WT1 O ATOM 19424 H1 TIP3 6587 -3.312 6.469 10.013 1.00 0.00 WT1 H ATOM 19425 H2 TIP3 6587 10.940 5.423 0.548 1.00 0.00 WT1 H ATOM 19426 OH2 TIP3 6589 -1.477 5.259 5.988 1.00 0.00 WT1 O ATOM 19427 H1 TIP3 6589 -2.703 16.745 5.685 1.00 0.00 WT1 H ATOM 19428 H2 TIP3 6589 16.818 -3.001 -1.498 1.00 0.00 WT1 H ATOM 19429 OH2 TIP3 6590 -0.046 7.082 8.279 1.00 0.00 WT1 O ATOM 19430 H1 TIP3 6590 1.501 3.422 7.617 1.00 0.00 WT1 H ATOM 19431 H2 TIP3 6590 -8.794 -4.952 -1.974 1.00 0.00 WT1 H ATOM 19432 OH2 TIP3 6592 -4.622 0.995 -4.718 1.00 0.00 WT1 O ATOM 19433 H1 TIP3 6592 -3.340 5.425 -5.665 1.00 0.00 WT1 H ATOM 19434 H2 TIP3 6592 -0.873 -2.186 -4.786 1.00 0.00 WT1 H ATOM 19435 OH2 TIP3 6594 2.837 4.603 0.854 1.00 0.00 WT1 O ATOM 19436 H1 TIP3 6594 -1.303 -1.624 -14.046 1.00 0.00 WT1 H ATOM 19437 H2 TIP3 6594 5.442 -9.596 17.138 1.00 0.00 WT1 H ATOM 19438 OH2 TIP3 6595 0.943 -3.787 2.213 1.00 0.00 WT1 O ATOM 19439 H1 TIP3 6595 -3.844 -9.391 14.825 1.00 0.00 WT1 H ATOM 19440 H2 TIP3 6595 -12.475 -0.418 3.984 1.00 0.00 WT1 H ATOM 19441 OH2 TIP3 6596 -1.103 4.880 1.100 1.00 0.00 WT1 O ATOM 19442 H1 TIP3 6596 -3.191 11.381 0.053 1.00 0.00 WT1 H ATOM 19443 H2 TIP3 6596 17.295 -11.237 -1.174 1.00 0.00 WT1 H ATOM 19444 OH2 TIP3 6597 -5.489 7.712 1.095 1.00 0.00 WT1 O ATOM 19445 H1 TIP3 6597 -0.187 3.082 -5.730 1.00 0.00 WT1 H ATOM 19446 H2 TIP3 6597 7.533 -29.337 -37.073 1.00 0.00 WT1 H ATOM 19447 OH2 TIP3 6598 -3.006 -0.280 5.645 1.00 0.00 WT1 O ATOM 19448 H1 TIP3 6598 8.078 -0.279 6.670 1.00 0.00 WT1 H ATOM 19449 H2 TIP3 6598 -8.385 3.149 -6.995 1.00 0.00 WT1 H ATOM 19450 OH2 TIP3 6600 -1.348 0.566 4.031 1.00 0.00 WT1 O ATOM 19451 H1 TIP3 6600 -17.898 40.117 25.871 1.00 0.00 WT1 H ATOM 19452 H2 TIP3 6600 -17.319 12.563 -2.713 1.00 0.00 WT1 H ATOM 19453 OH2 TIP3 6601 1.789 -2.419 -2.681 1.00 0.00 WT1 O ATOM 19454 H1 TIP3 6601 10.432 -10.819 1.386 1.00 0.00 WT1 H ATOM 19455 H2 TIP3 6601 -0.217 -1.842 4.821 1.00 0.00 WT1 H ATOM 19456 OH2 TIP3 6602 -2.396 1.759 -0.489 1.00 0.00 WT1 O ATOM 19457 H1 TIP3 6602 -3.466 1.587 9.465 1.00 0.00 WT1 H ATOM 19458 H2 TIP3 6602 -4.806 4.441 -22.053 1.00 0.00 WT1 H ATOM 19459 OH2 TIP3 6603 -1.986 -1.379 3.775 1.00 0.00 WT1 O ATOM 19460 H1 TIP3 6603 -0.907 6.189 0.342 1.00 0.00 WT1 H ATOM 19461 H2 TIP3 6603 0.472 -16.125 16.569 1.00 0.00 WT1 H ATOM 19462 OH2 TIP3 6604 0.376 -6.307 1.413 1.00 0.00 WT1 O ATOM 19463 H1 TIP3 6604 2.165 -8.410 -7.016 1.00 0.00 WT1 H ATOM 19464 H2 TIP3 6604 -0.366 6.598 -12.615 1.00 0.00 WT1 H ATOM 19465 OH2 TIP3 6606 0.043 2.592 -6.360 1.00 0.00 WT1 O ATOM 19466 H1 TIP3 6606 1.714 10.717 -6.099 1.00 0.00 WT1 H ATOM 19467 H2 TIP3 6606 7.529 3.253 3.422 1.00 0.00 WT1 H ATOM 19468 OH2 TIP3 6607 -6.713 0.572 7.876 1.00 0.00 WT1 O ATOM 19469 H1 TIP3 6607 -18.671 18.399 4.408 1.00 0.00 WT1 H ATOM 19470 H2 TIP3 6607 -3.906 -6.709 -10.649 1.00 0.00 WT1 H ATOM 19471 OH2 TIP3 6608 6.694 -1.182 1.757 1.00 0.00 WT1 O ATOM 19472 H1 TIP3 6608 8.585 -5.665 -0.771 1.00 0.00 WT1 H ATOM 19473 H2 TIP3 6608 -2.212 16.880 11.657 1.00 0.00 WT1 H ATOM 19474 OH2 TIP3 6609 -1.016 -3.523 -2.218 1.00 0.00 WT1 O ATOM 19475 H1 TIP3 6609 2.441 2.558 -10.160 1.00 0.00 WT1 H ATOM 19476 H2 TIP3 6609 -9.498 -27.957 -20.755 1.00 0.00 WT1 H ATOM 19477 OH2 TIP3 6610 3.937 4.942 4.408 1.00 0.00 WT1 O ATOM 19478 H1 TIP3 6610 3.185 1.713 18.451 1.00 0.00 WT1 H ATOM 19479 H2 TIP3 6610 -8.090 4.645 3.169 1.00 0.00 WT1 H ATOM 19480 OH2 TIP3 6611 -1.172 2.723 -4.082 1.00 0.00 WT1 O ATOM 19481 H1 TIP3 6611 -11.433 9.990 -19.930 1.00 0.00 WT1 H ATOM 19482 H2 TIP3 6611 -5.649 -27.254 10.738 1.00 0.00 WT1 H ATOM 19483 OH2 TIP3 6613 0.828 0.238 -0.700 1.00 0.00 WT1 O ATOM 19484 H1 TIP3 6613 -6.132 -9.191 -1.799 1.00 0.00 WT1 H ATOM 19485 H2 TIP3 6613 11.934 -21.183 -15.792 1.00 0.00 WT1 H ATOM 19486 OH2 TIP3 6614 7.555 2.417 -2.624 1.00 0.00 WT1 O ATOM 19487 H1 TIP3 6614 9.280 -2.225 -6.931 1.00 0.00 WT1 H ATOM 19488 H2 TIP3 6614 -1.610 4.366 0.082 1.00 0.00 WT1 H ATOM 19489 OH2 TIP3 6615 -3.114 -3.050 2.627 1.00 0.00 WT1 O ATOM 19490 H1 TIP3 6615 -10.581 0.105 -10.715 1.00 0.00 WT1 H ATOM 19491 H2 TIP3 6615 -10.825 -5.212 -4.806 1.00 0.00 WT1 H ATOM 19492 OH2 TIP3 6616 -5.345 1.793 4.307 1.00 0.00 WT1 O ATOM 19493 H1 TIP3 6616 -19.034 6.664 4.172 1.00 0.00 WT1 H ATOM 19494 H2 TIP3 6616 -7.525 10.429 -17.236 1.00 0.00 WT1 H ATOM 19495 OH2 TIP3 6618 -1.180 -3.451 -2.948 1.00 0.00 WT1 O ATOM 19496 H1 TIP3 6618 -3.678 -0.096 5.529 1.00 0.00 WT1 H ATOM 19497 H2 TIP3 6618 -7.411 5.034 4.653 1.00 0.00 WT1 H ATOM 19498 OH2 TIP3 6620 -3.007 -5.269 -0.171 1.00 0.00 WT1 O ATOM 19499 H1 TIP3 6620 9.358 -5.736 7.206 1.00 0.00 WT1 H ATOM 19500 H2 TIP3 6620 -7.926 -10.738 5.576 1.00 0.00 WT1 H ATOM 19501 OH2 TIP3 6621 3.199 3.766 -4.878 1.00 0.00 WT1 O ATOM 19502 H1 TIP3 6621 0.919 9.326 -2.215 1.00 0.00 WT1 H ATOM 19503 H2 TIP3 6621 -8.667 7.924 -5.213 1.00 0.00 WT1 H ATOM 19504 OH2 TIP3 6622 1.904 -1.638 -2.803 1.00 0.00 WT1 O ATOM 19505 H1 TIP3 6622 2.270 8.981 -2.798 1.00 0.00 WT1 H ATOM 19506 H2 TIP3 6622 -3.836 3.186 -25.076 1.00 0.00 WT1 H ATOM 19507 OH2 TIP3 6623 -0.638 5.578 1.340 1.00 0.00 WT1 O ATOM 19508 H1 TIP3 6623 7.685 5.032 -5.492 1.00 0.00 WT1 H ATOM 19509 H2 TIP3 6623 1.514 4.598 13.429 1.00 0.00 WT1 H ATOM 19510 OH2 TIP3 6625 -1.185 2.558 6.297 1.00 0.00 WT1 O ATOM 19511 H1 TIP3 6625 -13.305 -2.311 -11.248 1.00 0.00 WT1 H ATOM 19512 H2 TIP3 6625 -26.371 -8.946 21.174 1.00 0.00 WT1 H ATOM 19513 OH2 TIP3 6626 2.459 2.398 -3.397 1.00 0.00 WT1 O ATOM 19514 H1 TIP3 6626 7.708 16.798 -16.003 1.00 0.00 WT1 H ATOM 19515 H2 TIP3 6626 -17.295 4.134 -1.217 1.00 0.00 WT1 H ATOM 19516 OH2 TIP3 6627 -5.437 0.367 -3.399 1.00 0.00 WT1 O ATOM 19517 H1 TIP3 6627 -16.077 -5.727 -0.716 1.00 0.00 WT1 H ATOM 19518 H2 TIP3 6627 17.356 13.338 -8.055 1.00 0.00 WT1 H ATOM 19519 OH2 TIP3 6628 1.393 -4.944 6.463 1.00 0.00 WT1 O ATOM 19520 H1 TIP3 6628 7.413 -18.819 26.804 1.00 0.00 WT1 H ATOM 19521 H2 TIP3 6628 11.135 2.855 -8.734 1.00 0.00 WT1 H ATOM 19522 OH2 TIP3 6629 0.376 -4.194 1.935 1.00 0.00 WT1 O ATOM 19523 H1 TIP3 6629 15.732 -2.521 -10.514 1.00 0.00 WT1 H ATOM 19524 H2 TIP3 6629 -7.115 -18.840 10.284 1.00 0.00 WT1 H ATOM 19525 OH2 TIP3 6630 -0.607 0.856 6.111 1.00 0.00 WT1 O ATOM 19526 H1 TIP3 6630 -1.514 17.680 11.975 1.00 0.00 WT1 H ATOM 19527 H2 TIP3 6630 0.993 11.852 -31.104 1.00 0.00 WT1 H ATOM 19528 OH2 TIP3 6631 -3.183 -7.965 3.271 1.00 0.00 WT1 O ATOM 19529 H1 TIP3 6631 0.748 -9.308 6.435 1.00 0.00 WT1 H ATOM 19530 H2 TIP3 6631 5.561 -10.686 9.111 1.00 0.00 WT1 H ATOM 19531 OH2 TIP3 6632 5.852 -1.211 -0.476 1.00 0.00 WT1 O ATOM 19532 H1 TIP3 6632 31.355 26.069 32.632 1.00 0.00 WT1 H ATOM 19533 H2 TIP3 6632 12.374 4.030 4.119 1.00 0.00 WT1 H ATOM 19534 OH2 TIP3 6633 -0.150 -1.519 3.248 1.00 0.00 WT1 O ATOM 19535 H1 TIP3 6633 -12.803 5.685 1.084 1.00 0.00 WT1 H ATOM 19536 H2 TIP3 6633 16.934 -4.075 0.946 1.00 0.00 WT1 H ATOM 19537 OH2 TIP3 6634 8.307 -2.877 -3.825 1.00 0.00 WT1 O ATOM 19538 H1 TIP3 6634 10.306 -2.910 -9.365 1.00 0.00 WT1 H ATOM 19539 H2 TIP3 6634 -10.010 -7.507 -17.115 1.00 0.00 WT1 H ATOM 19540 OH2 TIP3 6635 -1.704 9.161 -2.155 1.00 0.00 WT1 O ATOM 19541 H1 TIP3 6635 -5.234 9.697 -13.197 1.00 0.00 WT1 H ATOM 19542 H2 TIP3 6635 4.069 17.634 18.438 1.00 0.00 WT1 H ATOM 19543 OH2 TIP3 6636 9.133 0.207 -5.959 1.00 0.00 WT1 O ATOM 19544 H1 TIP3 6636 12.086 -3.139 3.439 1.00 0.00 WT1 H ATOM 19545 H2 TIP3 6636 4.443 -0.621 8.703 1.00 0.00 WT1 H ATOM 19546 OH2 TIP3 6637 -5.845 6.778 -1.451 1.00 0.00 WT1 O ATOM 19547 H1 TIP3 6637 5.456 -13.238 19.111 1.00 0.00 WT1 H ATOM 19548 H2 TIP3 6637 1.602 5.784 37.314 1.00 0.00 WT1 H ATOM 19549 OH2 TIP3 6638 5.435 4.584 -5.515 1.00 0.00 WT1 O ATOM 19550 H1 TIP3 6638 -28.865 12.654 -8.541 1.00 0.00 WT1 H ATOM 19551 H2 TIP3 6638 9.613 1.232 -1.516 1.00 0.00 WT1 H ATOM 19552 OH2 TIP3 6639 -1.147 -3.299 4.266 1.00 0.00 WT1 O ATOM 19553 H1 TIP3 6639 4.644 3.663 -6.491 1.00 0.00 WT1 H ATOM 19554 H2 TIP3 6639 6.433 5.304 -26.379 1.00 0.00 WT1 H ATOM 19555 OH2 TIP3 6640 -3.561 -0.454 2.855 1.00 0.00 WT1 O ATOM 19556 H1 TIP3 6640 -6.903 -7.005 3.557 1.00 0.00 WT1 H ATOM 19557 H2 TIP3 6640 -0.211 15.142 -2.418 1.00 0.00 WT1 H ATOM 19558 OH2 TIP3 6641 3.252 0.779 -1.266 1.00 0.00 WT1 O ATOM 19559 H1 TIP3 6641 27.135 2.835 -7.545 1.00 0.00 WT1 H ATOM 19560 H2 TIP3 6641 2.554 5.431 11.978 1.00 0.00 WT1 H ATOM 19561 OH2 TIP3 6642 -4.045 -12.720 1.438 1.00 0.00 WT1 O ATOM 19562 H1 TIP3 6642 5.876 5.130 -7.934 1.00 0.00 WT1 H ATOM 19563 H2 TIP3 6642 -11.598 -13.887 31.764 1.00 0.00 WT1 H ATOM 19564 OH2 TIP3 6643 3.327 1.017 -1.395 1.00 0.00 WT1 O ATOM 19565 H1 TIP3 6643 14.936 -18.264 15.585 1.00 0.00 WT1 H ATOM 19566 H2 TIP3 6643 -3.354 16.777 -6.124 1.00 0.00 WT1 H ATOM 19567 OH2 TIP3 6644 0.735 0.207 -0.631 1.00 0.00 WT1 O ATOM 19568 H1 TIP3 6644 8.244 -6.530 11.642 1.00 0.00 WT1 H ATOM 19569 H2 TIP3 6644 -7.957 7.289 -20.965 1.00 0.00 WT1 H ATOM 19570 OH2 TIP3 6645 4.975 11.076 -1.472 1.00 0.00 WT1 O ATOM 19571 H1 TIP3 6645 10.703 8.652 10.709 1.00 0.00 WT1 H ATOM 19572 H2 TIP3 6645 1.918 19.708 -1.128 1.00 0.00 WT1 H ATOM 19573 OH2 TIP3 6647 -1.299 7.203 3.396 1.00 0.00 WT1 O ATOM 19574 H1 TIP3 6647 12.940 -4.244 -4.045 1.00 0.00 WT1 H ATOM 19575 H2 TIP3 6647 -22.899 2.676 -1.776 1.00 0.00 WT1 H ATOM 19576 OH2 TIP3 6648 6.093 0.038 1.166 1.00 0.00 WT1 O ATOM 19577 H1 TIP3 6648 -8.524 0.673 -8.294 1.00 0.00 WT1 H ATOM 19578 H2 TIP3 6648 13.644 -25.290 -22.954 1.00 0.00 WT1 H ATOM 19579 OH2 TIP3 6649 -2.591 3.724 3.850 1.00 0.00 WT1 O ATOM 19580 H1 TIP3 6649 3.700 -9.798 11.940 1.00 0.00 WT1 H ATOM 19581 H2 TIP3 6649 2.792 -1.072 10.875 1.00 0.00 WT1 H ATOM 19582 OH2 TIP3 6650 1.189 -0.135 -6.412 1.00 0.00 WT1 O ATOM 19583 H1 TIP3 6650 -1.755 -16.399 11.057 1.00 0.00 WT1 H ATOM 19584 H2 TIP3 6650 -14.171 -0.314 27.630 1.00 0.00 WT1 H ATOM 19585 OH2 TIP3 6651 -3.349 -1.537 -1.519 1.00 0.00 WT1 O ATOM 19586 H1 TIP3 6651 -8.288 3.422 4.254 1.00 0.00 WT1 H ATOM 19587 H2 TIP3 6651 -3.690 -1.690 -1.187 1.00 0.00 WT1 H ATOM 19588 OH2 TIP3 6652 -2.042 1.416 -6.524 1.00 0.00 WT1 O ATOM 19589 H1 TIP3 6652 -2.196 13.581 -10.185 1.00 0.00 WT1 H ATOM 19590 H2 TIP3 6652 0.346 15.808 -10.221 1.00 0.00 WT1 H ATOM 19591 OH2 TIP3 6653 4.617 7.358 -1.643 1.00 0.00 WT1 O ATOM 19592 H1 TIP3 6653 15.681 -10.859 -1.319 1.00 0.00 WT1 H ATOM 19593 H2 TIP3 6653 0.919 -12.029 -4.116 1.00 0.00 WT1 H ATOM 19594 OH2 TIP3 6654 -0.848 -2.170 -0.066 1.00 0.00 WT1 O ATOM 19595 H1 TIP3 6654 1.356 -11.036 0.396 1.00 0.00 WT1 H ATOM 19596 H2 TIP3 6654 0.340 3.171 -4.932 1.00 0.00 WT1 H ATOM 19597 OH2 TIP3 6655 -1.776 4.680 6.203 1.00 0.00 WT1 O ATOM 19598 H1 TIP3 6655 -2.972 -8.865 -7.362 1.00 0.00 WT1 H ATOM 19599 H2 TIP3 6655 26.724 29.924 -1.108 1.00 0.00 WT1 H ATOM 19600 OH2 TIP3 6656 -1.794 -3.757 -2.754 1.00 0.00 WT1 O ATOM 19601 H1 TIP3 6656 7.946 5.278 2.010 1.00 0.00 WT1 H ATOM 19602 H2 TIP3 6656 -6.965 -6.924 23.729 1.00 0.00 WT1 H ATOM 19603 OH2 TIP3 6657 1.470 -3.106 -1.893 1.00 0.00 WT1 O ATOM 19604 H1 TIP3 6657 2.189 -2.546 -0.999 1.00 0.00 WT1 H ATOM 19605 H2 TIP3 6657 15.557 3.557 12.907 1.00 0.00 WT1 H ATOM 19606 OH2 TIP3 6658 -4.025 -2.193 2.909 1.00 0.00 WT1 O ATOM 19607 H1 TIP3 6658 -3.910 -1.373 13.450 1.00 0.00 WT1 H ATOM 19608 H2 TIP3 6658 2.445 -8.880 5.835 1.00 0.00 WT1 H ATOM 19609 OH2 TIP3 6659 -12.675 -3.917 3.898 1.00 0.00 WT1 O ATOM 19610 H1 TIP3 6659 18.740 5.737 -9.328 1.00 0.00 WT1 H ATOM 19611 H2 TIP3 6659 9.469 -3.311 -20.802 1.00 0.00 WT1 H ATOM 19612 OH2 TIP3 6660 -6.666 5.056 -2.287 1.00 0.00 WT1 O ATOM 19613 H1 TIP3 6660 -23.107 -2.604 -6.377 1.00 0.00 WT1 H ATOM 19614 H2 TIP3 6660 9.943 -35.508 17.416 1.00 0.00 WT1 H ATOM 19615 OH2 TIP3 6661 -3.943 0.984 -2.272 1.00 0.00 WT1 O ATOM 19616 H1 TIP3 6661 -20.708 19.699 10.618 1.00 0.00 WT1 H ATOM 19617 H2 TIP3 6661 17.477 6.965 -13.504 1.00 0.00 WT1 H ATOM 19618 OH2 TIP3 6662 -3.837 -5.386 1.933 1.00 0.00 WT1 O ATOM 19619 H1 TIP3 6662 23.748 -15.836 -24.318 1.00 0.00 WT1 H ATOM 19620 H2 TIP3 6662 -10.055 -3.607 8.270 1.00 0.00 WT1 H ATOM 19621 OH2 TIP3 6663 -2.363 1.267 -4.574 1.00 0.00 WT1 O ATOM 19622 H1 TIP3 6663 7.556 -2.566 -15.068 1.00 0.00 WT1 H ATOM 19623 H2 TIP3 6663 -1.489 22.747 -9.996 1.00 0.00 WT1 H ATOM 19624 OH2 TIP3 6664 2.831 5.015 -1.943 1.00 0.00 WT1 O ATOM 19625 H1 TIP3 6664 -21.871 -16.344 18.648 1.00 0.00 WT1 H ATOM 19626 H2 TIP3 6664 14.068 12.988 -14.642 1.00 0.00 WT1 H ATOM 19627 OH2 TIP3 6665 0.532 -2.159 -5.591 1.00 0.00 WT1 O ATOM 19628 H1 TIP3 6665 5.454 -3.095 -3.919 1.00 0.00 WT1 H ATOM 19629 H2 TIP3 6665 -2.059 5.785 16.306 1.00 0.00 WT1 H ATOM 19630 OH2 TIP3 6666 1.758 -1.678 4.496 1.00 0.00 WT1 O ATOM 19631 H1 TIP3 6666 -4.504 -12.840 2.682 1.00 0.00 WT1 H ATOM 19632 H2 TIP3 6666 3.760 11.540 3.982 1.00 0.00 WT1 H ATOM 19633 OH2 TIP3 6667 -5.561 -4.706 -3.085 1.00 0.00 WT1 O ATOM 19634 H1 TIP3 6667 -8.425 -16.152 -20.001 1.00 0.00 WT1 H ATOM 19635 H2 TIP3 6667 17.907 5.475 21.981 1.00 0.00 WT1 H ATOM 19636 OH2 TIP3 6668 0.034 -3.028 -7.494 1.00 0.00 WT1 O ATOM 19637 H1 TIP3 6668 7.049 16.596 2.516 1.00 0.00 WT1 H ATOM 19638 H2 TIP3 6668 8.308 9.748 1.550 1.00 0.00 WT1 H ATOM 19639 OH2 TIP3 6669 0.584 1.981 -7.988 1.00 0.00 WT1 O ATOM 19640 H1 TIP3 6669 5.619 6.784 9.405 1.00 0.00 WT1 H ATOM 19641 H2 TIP3 6669 1.477 0.087 2.672 1.00 0.00 WT1 H ATOM 19642 OH2 TIP3 6670 4.254 3.830 -2.478 1.00 0.00 WT1 O ATOM 19643 H1 TIP3 6670 -4.692 -0.215 -7.287 1.00 0.00 WT1 H ATOM 19644 H2 TIP3 6670 11.665 -4.054 -2.133 1.00 0.00 WT1 H ATOM 19645 OH2 TIP3 6671 0.238 0.082 -6.068 1.00 0.00 WT1 O ATOM 19646 H1 TIP3 6671 10.673 -1.387 16.320 1.00 0.00 WT1 H ATOM 19647 H2 TIP3 6671 -4.181 -12.759 17.499 1.00 0.00 WT1 H ATOM 19648 OH2 TIP3 6672 -4.748 -2.115 -1.130 1.00 0.00 WT1 O ATOM 19649 H1 TIP3 6672 -7.584 -7.626 10.642 1.00 0.00 WT1 H ATOM 19650 H2 TIP3 6672 -9.356 -7.050 -6.077 1.00 0.00 WT1 H ATOM 19651 OH2 TIP3 6673 7.182 -0.942 -10.483 1.00 0.00 WT1 O ATOM 19652 H1 TIP3 6673 6.725 -18.583 -12.450 1.00 0.00 WT1 H ATOM 19653 H2 TIP3 6673 5.942 20.121 -10.681 1.00 0.00 WT1 H ATOM 19654 OH2 TIP3 6674 1.705 -3.180 0.205 1.00 0.00 WT1 O ATOM 19655 H1 TIP3 6674 -14.301 -2.353 10.776 1.00 0.00 WT1 H ATOM 19656 H2 TIP3 6674 -5.160 -3.127 -17.908 1.00 0.00 WT1 H ATOM 19657 OH2 TIP3 6677 3.315 -1.534 1.654 1.00 0.00 WT1 O ATOM 19658 H1 TIP3 6677 -6.876 -12.711 14.352 1.00 0.00 WT1 H ATOM 19659 H2 TIP3 6677 9.489 -4.089 -24.559 1.00 0.00 WT1 H ATOM 19660 OH2 TIP3 6678 1.838 -1.911 5.799 1.00 0.00 WT1 O ATOM 19661 H1 TIP3 6678 -26.382 4.074 14.301 1.00 0.00 WT1 H ATOM 19662 H2 TIP3 6678 12.040 -5.034 -1.144 1.00 0.00 WT1 H ATOM 19663 OH2 TIP3 6679 2.081 -3.928 -4.451 1.00 0.00 WT1 O ATOM 19664 H1 TIP3 6679 9.525 1.509 -9.077 1.00 0.00 WT1 H ATOM 19665 H2 TIP3 6679 -18.550 2.081 33.893 1.00 0.00 WT1 H ATOM 19666 OH2 TIP3 6680 -0.605 -3.501 -5.201 1.00 0.00 WT1 O ATOM 19667 H1 TIP3 6680 -1.753 -4.141 -1.376 1.00 0.00 WT1 H ATOM 19668 H2 TIP3 6680 -2.617 -16.778 -21.792 1.00 0.00 WT1 H ATOM 19669 OH2 TIP3 6681 -1.512 -5.209 -3.878 1.00 0.00 WT1 O ATOM 19670 H1 TIP3 6681 -3.481 0.087 -3.971 1.00 0.00 WT1 H ATOM 19671 H2 TIP3 6681 -3.993 -9.300 11.217 1.00 0.00 WT1 H ATOM 19672 OH2 TIP3 6682 1.602 -3.217 0.345 1.00 0.00 WT1 O ATOM 19673 H1 TIP3 6682 7.590 -13.557 -3.759 1.00 0.00 WT1 H ATOM 19674 H2 TIP3 6682 1.701 4.024 7.490 1.00 0.00 WT1 H ATOM 19675 OH2 TIP3 6683 -1.775 3.057 0.919 1.00 0.00 WT1 O ATOM 19676 H1 TIP3 6683 4.046 5.505 3.928 1.00 0.00 WT1 H ATOM 19677 H2 TIP3 6683 -0.704 1.621 5.065 1.00 0.00 WT1 H ATOM 19678 OH2 TIP3 6684 -5.063 2.172 4.253 1.00 0.00 WT1 O ATOM 19679 H1 TIP3 6684 10.702 2.108 3.046 1.00 0.00 WT1 H ATOM 19680 H2 TIP3 6684 0.014 -15.573 -38.108 1.00 0.00 WT1 H ATOM 19681 OH2 TIP3 6685 0.777 1.268 4.439 1.00 0.00 WT1 O ATOM 19682 H1 TIP3 6685 23.603 -12.270 4.974 1.00 0.00 WT1 H ATOM 19683 H2 TIP3 6685 -11.473 -7.246 -13.335 1.00 0.00 WT1 H ATOM 19684 OH2 TIP3 6686 4.081 5.385 6.408 1.00 0.00 WT1 O ATOM 19685 H1 TIP3 6686 -22.961 1.536 21.462 1.00 0.00 WT1 H ATOM 19686 H2 TIP3 6686 10.991 11.576 -7.195 1.00 0.00 WT1 H ATOM 19687 OH2 TIP3 6687 -2.757 -4.933 0.294 1.00 0.00 WT1 O ATOM 19688 H1 TIP3 6687 -2.342 5.112 -10.863 1.00 0.00 WT1 H ATOM 19689 H2 TIP3 6687 -4.531 -2.562 3.881 1.00 0.00 WT1 H ATOM 19690 OH2 TIP3 6688 -9.865 -1.232 3.015 1.00 0.00 WT1 O ATOM 19691 H1 TIP3 6688 -5.413 0.225 -4.297 1.00 0.00 WT1 H ATOM 19692 H2 TIP3 6688 -4.262 -13.400 9.200 1.00 0.00 WT1 H ATOM 19693 OH2 TIP3 6689 0.096 -7.692 -0.145 1.00 0.00 WT1 O ATOM 19694 H1 TIP3 6689 -0.953 16.437 3.786 1.00 0.00 WT1 H ATOM 19695 H2 TIP3 6689 26.271 -9.458 -16.935 1.00 0.00 WT1 H ATOM 19696 OH2 TIP3 6690 -2.514 -1.650 0.084 1.00 0.00 WT1 O ATOM 19697 H1 TIP3 6690 5.146 -3.819 -12.385 1.00 0.00 WT1 H ATOM 19698 H2 TIP3 6690 -13.022 6.181 -3.536 1.00 0.00 WT1 H ATOM 19699 OH2 TIP3 6691 -4.293 2.596 1.062 1.00 0.00 WT1 O ATOM 19700 H1 TIP3 6691 6.460 -18.996 15.548 1.00 0.00 WT1 H ATOM 19701 H2 TIP3 6691 17.547 -14.416 -13.095 1.00 0.00 WT1 H ATOM 19702 OH2 TIP3 6692 -2.089 0.659 -7.131 1.00 0.00 WT1 O ATOM 19703 H1 TIP3 6692 -13.076 8.707 6.211 1.00 0.00 WT1 H ATOM 19704 H2 TIP3 6692 -16.283 -16.673 19.972 1.00 0.00 WT1 H ATOM 19705 OH2 TIP3 6693 -2.818 2.286 0.234 1.00 0.00 WT1 O ATOM 19706 H1 TIP3 6693 -6.454 -4.424 4.549 1.00 0.00 WT1 H ATOM 19707 H2 TIP3 6693 16.613 -20.211 9.979 1.00 0.00 WT1 H ATOM 19708 OH2 TIP3 6694 1.414 0.741 1.859 1.00 0.00 WT1 O ATOM 19709 H1 TIP3 6694 3.713 2.174 -5.692 1.00 0.00 WT1 H ATOM 19710 H2 TIP3 6694 3.094 1.954 -6.296 1.00 0.00 WT1 H ATOM 19711 OH2 TIP3 6695 -0.449 1.651 -0.769 1.00 0.00 WT1 O ATOM 19712 H1 TIP3 6695 0.364 10.690 7.973 1.00 0.00 WT1 H ATOM 19713 H2 TIP3 6695 3.099 8.951 8.213 1.00 0.00 WT1 H ATOM 19714 OH2 TIP3 6696 3.956 0.212 -0.413 1.00 0.00 WT1 O ATOM 19715 H1 TIP3 6696 -9.183 -2.156 -1.702 1.00 0.00 WT1 H ATOM 19716 H2 TIP3 6696 18.585 13.495 8.589 1.00 0.00 WT1 H ATOM 19717 OH2 TIP3 6697 -3.891 1.262 -6.434 1.00 0.00 WT1 O ATOM 19718 H1 TIP3 6697 -16.218 3.272 4.822 1.00 0.00 WT1 H ATOM 19719 H2 TIP3 6697 4.794 11.965 -1.963 1.00 0.00 WT1 H ATOM 19720 OH2 TIP3 6698 1.168 1.561 3.825 1.00 0.00 WT1 O ATOM 19721 H1 TIP3 6698 -10.200 14.649 -1.681 1.00 0.00 WT1 H ATOM 19722 H2 TIP3 6698 32.248 4.018 8.044 1.00 0.00 WT1 H ATOM 19723 OH2 TIP3 6699 -3.363 -9.309 -8.030 1.00 0.00 WT1 O ATOM 19724 H1 TIP3 6699 -11.859 -4.928 8.621 1.00 0.00 WT1 H ATOM 19725 H2 TIP3 6699 -0.295 8.441 8.660 1.00 0.00 WT1 H ATOM 19726 OH2 TIP3 6700 5.849 2.267 -0.247 1.00 0.00 WT1 O ATOM 19727 H1 TIP3 6700 -3.904 -6.637 32.813 1.00 0.00 WT1 H ATOM 19728 H2 TIP3 6700 15.211 -5.187 -9.185 1.00 0.00 WT1 H ATOM 19729 OH2 TIP3 6701 -2.178 -1.527 -3.285 1.00 0.00 WT1 O ATOM 19730 H1 TIP3 6701 -16.421 -5.506 18.861 1.00 0.00 WT1 H ATOM 19731 H2 TIP3 6701 14.707 -14.403 -13.748 1.00 0.00 WT1 H ATOM 19732 OH2 TIP3 6702 1.204 -6.074 -3.556 1.00 0.00 WT1 O ATOM 19733 H1 TIP3 6702 26.994 -10.553 -10.686 1.00 0.00 WT1 H ATOM 19734 H2 TIP3 6702 5.309 13.370 -0.421 1.00 0.00 WT1 H ATOM 19735 OH2 TIP3 6703 3.837 0.975 0.479 1.00 0.00 WT1 O ATOM 19736 H1 TIP3 6703 -8.670 9.864 9.681 1.00 0.00 WT1 H ATOM 19737 H2 TIP3 6703 3.679 -19.900 -12.720 1.00 0.00 WT1 H ATOM 19738 OH2 TIP3 6704 3.375 -3.233 -0.596 1.00 0.00 WT1 O ATOM 19739 H1 TIP3 6704 9.917 -9.393 5.020 1.00 0.00 WT1 H ATOM 19740 H2 TIP3 6704 16.777 -14.438 -5.987 1.00 0.00 WT1 H ATOM 19741 OH2 TIP3 6705 -3.076 3.261 0.090 1.00 0.00 WT1 O ATOM 19742 H1 TIP3 6705 9.485 5.414 -10.682 1.00 0.00 WT1 H ATOM 19743 H2 TIP3 6705 2.174 -9.355 11.356 1.00 0.00 WT1 H ATOM 19744 OH2 TIP3 6706 -4.582 0.481 1.187 1.00 0.00 WT1 O ATOM 19745 H1 TIP3 6706 -4.583 -11.511 3.675 1.00 0.00 WT1 H ATOM 19746 H2 TIP3 6706 -10.938 -12.409 -0.656 1.00 0.00 WT1 H ATOM 19747 OH2 TIP3 6707 -12.045 1.589 1.261 1.00 0.00 WT1 O ATOM 19748 H1 TIP3 6707 -4.779 22.930 -3.701 1.00 0.00 WT1 H ATOM 19749 H2 TIP3 6707 -29.232 -6.569 7.405 1.00 0.00 WT1 H ATOM 19750 OH2 TIP3 6708 -5.648 0.607 -4.706 1.00 0.00 WT1 O ATOM 19751 H1 TIP3 6708 0.331 -15.786 4.466 1.00 0.00 WT1 H ATOM 19752 H2 TIP3 6708 -4.641 -5.376 -6.860 1.00 0.00 WT1 H ATOM 19753 OH2 TIP3 6709 -0.702 3.984 3.265 1.00 0.00 WT1 O ATOM 19754 H1 TIP3 6709 -12.938 12.308 2.642 1.00 0.00 WT1 H ATOM 19755 H2 TIP3 6709 7.192 7.272 -8.543 1.00 0.00 WT1 H ATOM 19756 OH2 TIP3 6710 -9.786 0.440 -2.425 1.00 0.00 WT1 O ATOM 19757 H1 TIP3 6710 -6.177 -17.627 -13.047 1.00 0.00 WT1 H ATOM 19758 H2 TIP3 6710 10.784 8.832 -4.190 1.00 0.00 WT1 H ATOM 19759 OH2 TIP3 6711 0.957 -3.066 1.616 1.00 0.00 WT1 O ATOM 19760 H1 TIP3 6711 -3.852 2.775 6.368 1.00 0.00 WT1 H ATOM 19761 H2 TIP3 6711 -5.441 4.862 7.104 1.00 0.00 WT1 H ATOM 19762 OH2 TIP3 6712 -4.969 -3.794 -0.555 1.00 0.00 WT1 O ATOM 19763 H1 TIP3 6712 6.767 27.539 32.187 1.00 0.00 WT1 H ATOM 19764 H2 TIP3 6712 4.126 -1.654 25.103 1.00 0.00 WT1 H ATOM 19765 OH2 TIP3 6713 -2.843 -2.435 -3.761 1.00 0.00 WT1 O ATOM 19766 H1 TIP3 6713 -2.511 -4.648 9.781 1.00 0.00 WT1 H ATOM 19767 H2 TIP3 6713 -3.293 -2.949 3.815 1.00 0.00 WT1 H ATOM 19768 OH2 TIP3 6714 -0.842 5.931 -0.038 1.00 0.00 WT1 O ATOM 19769 H1 TIP3 6714 5.919 -6.066 -11.175 1.00 0.00 WT1 H ATOM 19770 H2 TIP3 6714 10.080 18.510 -0.566 1.00 0.00 WT1 H ATOM 19771 OH2 TIP3 6715 4.876 -2.119 -5.815 1.00 0.00 WT1 O ATOM 19772 H1 TIP3 6715 -11.124 17.286 -10.342 1.00 0.00 WT1 H ATOM 19773 H2 TIP3 6715 9.474 -20.110 -27.325 1.00 0.00 WT1 H ATOM 19774 OH2 TIP3 6716 -1.540 -1.715 -0.796 1.00 0.00 WT1 O ATOM 19775 H1 TIP3 6716 18.239 -10.452 -8.285 1.00 0.00 WT1 H ATOM 19776 H2 TIP3 6716 14.704 -9.734 -19.135 1.00 0.00 WT1 H ATOM 19777 OH2 TIP3 6717 1.010 -4.070 3.762 1.00 0.00 WT1 O ATOM 19778 H1 TIP3 6717 7.137 -1.281 -1.823 1.00 0.00 WT1 H ATOM 19779 H2 TIP3 6717 2.457 -7.787 13.888 1.00 0.00 WT1 H ATOM 19780 OH2 TIP3 6718 -2.598 2.652 3.625 1.00 0.00 WT1 O ATOM 19781 H1 TIP3 6718 -7.564 -10.150 4.144 1.00 0.00 WT1 H ATOM 19782 H2 TIP3 6718 -16.080 -14.491 2.599 1.00 0.00 WT1 H ATOM 19783 OH2 TIP3 6719 0.729 -0.946 -7.126 1.00 0.00 WT1 O ATOM 19784 H1 TIP3 6719 2.269 -9.374 33.901 1.00 0.00 WT1 H ATOM 19785 H2 TIP3 6719 1.696 -0.588 -16.628 1.00 0.00 WT1 H ATOM 19786 OH2 TIP3 6720 -1.213 -5.709 -0.015 1.00 0.00 WT1 O ATOM 19787 H1 TIP3 6720 14.450 -24.004 -5.148 1.00 0.00 WT1 H ATOM 19788 H2 TIP3 6720 -15.224 17.070 9.191 1.00 0.00 WT1 H ATOM 19789 OH2 TIP3 6721 -9.973 -7.775 -2.332 1.00 0.00 WT1 O ATOM 19790 H1 TIP3 6721 -5.142 8.373 -1.340 1.00 0.00 WT1 H ATOM 19791 H2 TIP3 6721 4.079 -9.607 -12.177 1.00 0.00 WT1 H ATOM 19792 OH2 TIP3 6722 1.830 3.201 4.290 1.00 0.00 WT1 O ATOM 19793 H1 TIP3 6722 -1.267 -6.263 -3.814 1.00 0.00 WT1 H ATOM 19794 H2 TIP3 6722 -6.745 3.073 2.449 1.00 0.00 WT1 H ATOM 19795 OH2 TIP3 6723 2.311 -1.882 3.164 1.00 0.00 WT1 O ATOM 19796 H1 TIP3 6723 1.121 -13.621 1.912 1.00 0.00 WT1 H ATOM 19797 H2 TIP3 6723 0.507 -2.594 -3.094 1.00 0.00 WT1 H ATOM 19798 OH2 TIP3 6724 -3.662 2.188 4.373 1.00 0.00 WT1 O ATOM 19799 H1 TIP3 6724 -14.406 -28.214 -9.315 1.00 0.00 WT1 H ATOM 19800 H2 TIP3 6724 -3.758 3.784 4.216 1.00 0.00 WT1 H ATOM 19801 OH2 TIP3 6725 4.055 -2.520 2.774 1.00 0.00 WT1 O ATOM 19802 H1 TIP3 6725 -13.193 -10.646 -13.288 1.00 0.00 WT1 H ATOM 19803 H2 TIP3 6725 8.359 -5.068 -2.772 1.00 0.00 WT1 H ATOM 19804 OH2 TIP3 6726 2.940 -0.704 3.144 1.00 0.00 WT1 O ATOM 19805 H1 TIP3 6726 -0.114 -0.892 4.840 1.00 0.00 WT1 H ATOM 19806 H2 TIP3 6726 24.667 -3.859 -5.532 1.00 0.00 WT1 H ATOM 19807 OH2 TIP3 6727 3.373 -1.562 0.210 1.00 0.00 WT1 O ATOM 19808 H1 TIP3 6727 8.068 -26.243 -5.192 1.00 0.00 WT1 H ATOM 19809 H2 TIP3 6727 5.120 6.367 6.831 1.00 0.00 WT1 H ATOM 19810 OH2 TIP3 6728 -2.313 6.059 1.452 1.00 0.00 WT1 O ATOM 19811 H1 TIP3 6728 -21.611 11.911 3.957 1.00 0.00 WT1 H ATOM 19812 H2 TIP3 6728 22.497 3.080 -1.089 1.00 0.00 WT1 H ATOM 19813 OH2 TIP3 6729 4.115 2.909 -0.644 1.00 0.00 WT1 O ATOM 19814 H1 TIP3 6729 -17.310 11.965 0.392 1.00 0.00 WT1 H ATOM 19815 H2 TIP3 6729 -3.578 12.321 -12.906 1.00 0.00 WT1 H ATOM 19816 OH2 TIP3 6730 -4.325 -4.454 -2.727 1.00 0.00 WT1 O ATOM 19817 H1 TIP3 6730 -6.308 1.975 -2.224 1.00 0.00 WT1 H ATOM 19818 H2 TIP3 6730 -1.453 0.517 0.555 1.00 0.00 WT1 H ATOM 19819 OH2 TIP3 6731 -6.494 -1.076 -1.934 1.00 0.00 WT1 O ATOM 19820 H1 TIP3 6731 1.165 -9.114 0.619 1.00 0.00 WT1 H ATOM 19821 H2 TIP3 6731 14.833 14.643 -8.731 1.00 0.00 WT1 H ATOM 19822 OH2 TIP3 6732 -0.709 -0.461 -0.663 1.00 0.00 WT1 O ATOM 19823 H1 TIP3 6732 0.518 7.217 5.933 1.00 0.00 WT1 H ATOM 19824 H2 TIP3 6732 -2.442 2.852 -11.686 1.00 0.00 WT1 H ATOM 19825 OH2 TIP3 6733 -1.974 -2.744 -3.468 1.00 0.00 WT1 O ATOM 19826 H1 TIP3 6733 3.096 -2.103 -6.366 1.00 0.00 WT1 H ATOM 19827 H2 TIP3 6733 -11.448 -14.026 -5.840 1.00 0.00 WT1 H ATOM 19828 OH2 TIP3 6734 2.488 -9.008 -1.542 1.00 0.00 WT1 O ATOM 19829 H1 TIP3 6734 11.233 -10.094 5.977 1.00 0.00 WT1 H ATOM 19830 H2 TIP3 6734 -1.812 -9.178 -5.805 1.00 0.00 WT1 H ATOM 19831 OH2 TIP3 6735 1.621 -3.071 4.330 1.00 0.00 WT1 O ATOM 19832 H1 TIP3 6735 -0.977 -13.894 0.176 1.00 0.00 WT1 H ATOM 19833 H2 TIP3 6735 -5.432 13.432 7.066 1.00 0.00 WT1 H ATOM 19834 OH2 TIP3 6736 -4.711 -3.004 -6.440 1.00 0.00 WT1 O ATOM 19835 H1 TIP3 6736 -2.766 5.090 -12.518 1.00 0.00 WT1 H ATOM 19836 H2 TIP3 6736 -15.486 -9.373 2.228 1.00 0.00 WT1 H ATOM 19837 OH2 TIP3 6737 2.098 1.039 -3.662 1.00 0.00 WT1 O ATOM 19838 H1 TIP3 6737 -9.685 1.709 17.264 1.00 0.00 WT1 H ATOM 19839 H2 TIP3 6737 14.193 -2.118 7.930 1.00 0.00 WT1 H ATOM 19840 OH2 TIP3 6738 -0.962 -0.856 5.425 1.00 0.00 WT1 O ATOM 19841 H1 TIP3 6738 3.395 -3.910 1.941 1.00 0.00 WT1 H ATOM 19842 H2 TIP3 6738 2.940 0.422 10.122 1.00 0.00 WT1 H ATOM 19843 OH2 TIP3 6739 3.952 -0.523 1.364 1.00 0.00 WT1 O ATOM 19844 H1 TIP3 6739 10.352 5.152 8.945 1.00 0.00 WT1 H ATOM 19845 H2 TIP3 6739 -0.511 -10.661 3.591 1.00 0.00 WT1 H ATOM 19846 OH2 TIP3 6740 2.399 4.280 0.302 1.00 0.00 WT1 O ATOM 19847 H1 TIP3 6740 10.648 6.185 -8.629 1.00 0.00 WT1 H ATOM 19848 H2 TIP3 6740 3.263 6.548 3.837 1.00 0.00 WT1 H ATOM 19849 OH2 TIP3 6741 0.430 -4.129 1.232 1.00 0.00 WT1 O ATOM 19850 H1 TIP3 6741 9.865 3.828 -5.225 1.00 0.00 WT1 H ATOM 19851 H2 TIP3 6741 -9.193 15.707 -7.706 1.00 0.00 WT1 H ATOM 19852 OH2 TIP3 6742 1.878 1.504 -3.766 1.00 0.00 WT1 O ATOM 19853 H1 TIP3 6742 0.295 12.014 -15.301 1.00 0.00 WT1 H ATOM 19854 H2 TIP3 6742 -10.810 2.289 15.087 1.00 0.00 WT1 H ATOM 19855 OH2 TIP3 6743 3.395 -2.951 1.394 1.00 0.00 WT1 O ATOM 19856 H1 TIP3 6743 -15.680 -12.640 -0.325 1.00 0.00 WT1 H ATOM 19857 H2 TIP3 6743 11.449 8.469 -5.252 1.00 0.00 WT1 H ATOM 19858 OH2 TIP3 6744 0.826 2.614 -5.317 1.00 0.00 WT1 O ATOM 19859 H1 TIP3 6744 10.737 -0.054 1.884 1.00 0.00 WT1 H ATOM 19860 H2 TIP3 6744 8.810 -1.950 -0.065 1.00 0.00 WT1 H ATOM 19861 OH2 TIP3 6745 1.708 4.214 1.865 1.00 0.00 WT1 O ATOM 19862 H1 TIP3 6745 -22.432 1.060 -9.711 1.00 0.00 WT1 H ATOM 19863 H2 TIP3 6745 -1.021 2.535 25.933 1.00 0.00 WT1 H ATOM 19864 OH2 TIP3 6746 -6.398 -2.987 6.918 1.00 0.00 WT1 O ATOM 19865 H1 TIP3 6746 2.218 1.439 -3.362 1.00 0.00 WT1 H ATOM 19866 H2 TIP3 6746 -13.327 2.599 -8.193 1.00 0.00 WT1 H ATOM 19867 OH2 TIP3 6747 -0.916 9.362 -2.157 1.00 0.00 WT1 O ATOM 19868 H1 TIP3 6747 -1.333 9.840 -2.842 1.00 0.00 WT1 H ATOM 19869 H2 TIP3 6747 -2.403 10.006 -1.631 1.00 0.00 WT1 H ATOM 19870 OH2 TIP3 6748 -5.539 1.041 -0.928 1.00 0.00 WT1 O ATOM 19871 H1 TIP3 6748 15.296 10.122 -17.961 1.00 0.00 WT1 H ATOM 19872 H2 TIP3 6748 4.757 -16.017 -21.890 1.00 0.00 WT1 H ATOM 19873 OH2 TIP3 6749 0.660 0.771 8.549 1.00 0.00 WT1 O ATOM 19874 H1 TIP3 6749 3.601 -2.322 7.389 1.00 0.00 WT1 H ATOM 19875 H2 TIP3 6749 -0.248 -3.017 4.113 1.00 0.00 WT1 H ATOM 19876 OH2 TIP3 6750 -0.642 0.330 -4.184 1.00 0.00 WT1 O ATOM 19877 H1 TIP3 6750 2.715 5.381 1.501 1.00 0.00 WT1 H ATOM 19878 H2 TIP3 6750 1.353 -3.519 -1.200 1.00 0.00 WT1 H ATOM 19879 OH2 TIP3 6751 3.454 -5.016 -0.714 1.00 0.00 WT1 O ATOM 19880 H1 TIP3 6751 7.907 7.370 -5.998 1.00 0.00 WT1 H ATOM 19881 H2 TIP3 6751 -0.288 -33.623 9.748 1.00 0.00 WT1 H ATOM 19882 OH2 TIP3 6752 -1.329 -0.623 -5.984 1.00 0.00 WT1 O ATOM 19883 H1 TIP3 6752 12.567 3.809 4.922 1.00 0.00 WT1 H ATOM 19884 H2 TIP3 6752 -11.953 22.659 -17.499 1.00 0.00 WT1 H ATOM 19885 OH2 TIP3 6753 -8.135 -2.966 -5.476 1.00 0.00 WT1 O ATOM 19886 H1 TIP3 6753 -5.952 3.289 4.175 1.00 0.00 WT1 H ATOM 19887 H2 TIP3 6753 -12.340 -4.036 -9.753 1.00 0.00 WT1 H ATOM 19888 OH2 TIP3 6754 -1.854 3.730 6.413 1.00 0.00 WT1 O ATOM 19889 H1 TIP3 6754 3.970 -13.604 8.792 1.00 0.00 WT1 H ATOM 19890 H2 TIP3 6754 -0.334 6.097 -3.038 1.00 0.00 WT1 H ATOM 19891 OH2 TIP3 6755 2.873 -1.628 -3.363 1.00 0.00 WT1 O ATOM 19892 H1 TIP3 6755 6.559 -2.257 -3.278 1.00 0.00 WT1 H ATOM 19893 H2 TIP3 6755 13.673 -7.212 -1.429 1.00 0.00 WT1 H ATOM 19894 OH2 TIP3 6756 -1.384 -4.537 -2.807 1.00 0.00 WT1 O ATOM 19895 H1 TIP3 6756 2.393 8.760 6.277 1.00 0.00 WT1 H ATOM 19896 H2 TIP3 6756 -2.751 11.317 21.446 1.00 0.00 WT1 H ATOM 19897 OH2 TIP3 6757 2.686 -2.167 1.258 1.00 0.00 WT1 O ATOM 19898 H1 TIP3 6757 6.734 -4.112 5.471 1.00 0.00 WT1 H ATOM 19899 H2 TIP3 6757 9.872 -4.465 9.726 1.00 0.00 WT1 H ATOM 19900 OH2 TIP3 6758 -1.154 0.497 1.250 1.00 0.00 WT1 O ATOM 19901 H1 TIP3 6758 -5.413 4.246 -5.533 1.00 0.00 WT1 H ATOM 19902 H2 TIP3 6758 -2.867 9.214 -10.708 1.00 0.00 WT1 H ATOM 19903 OH2 TIP3 6759 0.550 0.324 -8.112 1.00 0.00 WT1 O ATOM 19904 H1 TIP3 6759 13.408 2.446 10.444 1.00 0.00 WT1 H ATOM 19905 H2 TIP3 6759 -0.515 3.530 -11.795 1.00 0.00 WT1 H ATOM 19906 OH2 TIP3 6760 -1.442 4.793 4.106 1.00 0.00 WT1 O ATOM 19907 H1 TIP3 6760 10.551 12.516 -5.263 1.00 0.00 WT1 H ATOM 19908 H2 TIP3 6760 -9.279 0.205 -8.550 1.00 0.00 WT1 H ATOM 19909 OH2 TIP3 6761 2.074 -7.686 -1.903 1.00 0.00 WT1 O ATOM 19910 H1 TIP3 6761 0.285 -10.199 -1.646 1.00 0.00 WT1 H ATOM 19911 H2 TIP3 6761 1.040 3.663 0.069 1.00 0.00 WT1 H ATOM 19912 OH2 TIP3 6762 -1.970 6.142 1.142 1.00 0.00 WT1 O ATOM 19913 H1 TIP3 6762 18.507 6.840 1.330 1.00 0.00 WT1 H ATOM 19914 H2 TIP3 6762 -4.961 7.147 -0.016 1.00 0.00 WT1 H ATOM 19915 OH2 TIP3 6763 0.500 0.935 -1.977 1.00 0.00 WT1 O ATOM 19916 H1 TIP3 6763 -15.991 -15.253 3.355 1.00 0.00 WT1 H ATOM 19917 H2 TIP3 6763 -0.212 3.339 3.174 1.00 0.00 WT1 H ATOM 19918 OH2 TIP3 6764 6.015 -1.757 2.770 1.00 0.00 WT1 O ATOM 19919 H1 TIP3 6764 -9.937 6.269 -12.243 1.00 0.00 WT1 H ATOM 19920 H2 TIP3 6764 -3.972 0.720 -1.097 1.00 0.00 WT1 H ATOM 19921 OH2 TIP3 6765 -4.510 1.862 -0.261 1.00 0.00 WT1 O ATOM 19922 H1 TIP3 6765 -6.783 1.875 -2.694 1.00 0.00 WT1 H ATOM 19923 H2 TIP3 6765 -5.939 1.886 -2.944 1.00 0.00 WT1 H ATOM 19924 OH2 TIP3 6766 -0.983 -2.627 -0.135 1.00 0.00 WT1 O ATOM 19925 H1 TIP3 6766 -15.294 -8.764 1.369 1.00 0.00 WT1 H ATOM 19926 H2 TIP3 6766 8.399 1.575 -3.057 1.00 0.00 WT1 H ATOM 19927 OH2 TIP3 6767 -2.875 -3.417 1.631 1.00 0.00 WT1 O ATOM 19928 H1 TIP3 6767 -13.205 -0.374 -13.491 1.00 0.00 WT1 H ATOM 19929 H2 TIP3 6767 12.435 -9.879 -2.920 1.00 0.00 WT1 H ATOM 19930 OH2 TIP3 6768 -3.763 -0.999 6.037 1.00 0.00 WT1 O ATOM 19931 H1 TIP3 6768 -9.941 10.949 28.257 1.00 0.00 WT1 H ATOM 19932 H2 TIP3 6768 6.970 4.425 0.957 1.00 0.00 WT1 H ATOM 19933 OH2 TIP3 6769 0.510 -0.494 3.491 1.00 0.00 WT1 O ATOM 19934 H1 TIP3 6769 20.033 3.404 15.180 1.00 0.00 WT1 H ATOM 19935 H2 TIP3 6769 -10.557 -17.112 5.557 1.00 0.00 WT1 H ATOM 19936 OH2 TIP3 6770 2.765 0.012 1.884 1.00 0.00 WT1 O ATOM 19937 H1 TIP3 6770 15.998 -8.546 -12.654 1.00 0.00 WT1 H ATOM 19938 H2 TIP3 6770 1.247 23.563 -3.465 1.00 0.00 WT1 H ATOM 19939 OH2 TIP3 6771 -2.329 2.001 7.375 1.00 0.00 WT1 O ATOM 19940 H1 TIP3 6771 -3.844 5.522 13.823 1.00 0.00 WT1 H ATOM 19941 H2 TIP3 6771 -29.182 8.271 4.425 1.00 0.00 WT1 H ATOM 19942 OH2 TIP3 6772 4.697 -4.625 1.531 1.00 0.00 WT1 O ATOM 19943 H1 TIP3 6772 -1.737 8.405 -8.545 1.00 0.00 WT1 H ATOM 19944 H2 TIP3 6772 -3.078 -17.116 -20.945 1.00 0.00 WT1 H ATOM 19945 OH2 TIP3 6773 -3.523 -2.562 -1.294 1.00 0.00 WT1 O ATOM 19946 H1 TIP3 6773 8.210 2.592 -1.538 1.00 0.00 WT1 H ATOM 19947 H2 TIP3 6773 4.250 -3.385 -7.067 1.00 0.00 WT1 H ATOM 19948 OH2 TIP3 6775 -0.714 -2.383 0.977 1.00 0.00 WT1 O ATOM 19949 H1 TIP3 6775 -5.642 4.230 -8.544 1.00 0.00 WT1 H ATOM 19950 H2 TIP3 6775 5.249 -8.540 7.846 1.00 0.00 WT1 H ATOM 19951 OH2 TIP3 6776 0.221 -1.996 -3.159 1.00 0.00 WT1 O ATOM 19952 H1 TIP3 6776 -10.671 1.154 6.199 1.00 0.00 WT1 H ATOM 19953 H2 TIP3 6776 7.912 4.435 -17.977 1.00 0.00 WT1 H ATOM 19954 OH2 TIP3 6777 0.414 -4.339 -1.661 1.00 0.00 WT1 O ATOM 19955 H1 TIP3 6777 -8.750 -13.707 -8.079 1.00 0.00 WT1 H ATOM 19956 H2 TIP3 6777 -18.044 -2.448 -8.834 1.00 0.00 WT1 H ATOM 19957 OH2 TIP3 6778 4.856 3.716 7.530 1.00 0.00 WT1 O ATOM 19958 H1 TIP3 6778 2.533 2.088 -2.428 1.00 0.00 WT1 H ATOM 19959 H2 TIP3 6778 20.739 1.560 -4.329 1.00 0.00 WT1 H ATOM 19960 OH2 TIP3 6779 -1.964 -1.655 10.316 1.00 0.00 WT1 O ATOM 19961 H1 TIP3 6779 6.410 -3.043 14.525 1.00 0.00 WT1 H ATOM 19962 H2 TIP3 6779 -16.200 -9.427 -6.421 1.00 0.00 WT1 H ATOM 19963 OH2 TIP3 6780 -0.398 0.889 -2.961 1.00 0.00 WT1 O ATOM 19964 H1 TIP3 6780 -6.228 -8.744 5.492 1.00 0.00 WT1 H ATOM 19965 H2 TIP3 6780 0.896 -17.037 4.149 1.00 0.00 WT1 H ATOM 19966 OH2 TIP3 6781 -6.683 -0.720 -2.980 1.00 0.00 WT1 O ATOM 19967 H1 TIP3 6781 -10.063 -4.801 7.101 1.00 0.00 WT1 H ATOM 19968 H2 TIP3 6781 -4.126 15.243 -9.193 1.00 0.00 WT1 H ATOM 19969 OH2 TIP3 6782 1.102 -0.717 0.300 1.00 0.00 WT1 O ATOM 19970 H1 TIP3 6782 11.173 1.881 -0.967 1.00 0.00 WT1 H ATOM 19971 H2 TIP3 6782 -1.424 7.096 3.052 1.00 0.00 WT1 H ATOM 19972 OH2 TIP3 6783 -1.534 -4.431 2.770 1.00 0.00 WT1 O ATOM 19973 H1 TIP3 6783 -1.519 15.560 -10.640 1.00 0.00 WT1 H ATOM 19974 H2 TIP3 6783 1.133 -9.160 6.554 1.00 0.00 WT1 H ATOM 19975 OH2 TIP3 6784 -0.505 0.682 -3.308 1.00 0.00 WT1 O ATOM 19976 H1 TIP3 6784 -18.493 -0.813 -0.392 1.00 0.00 WT1 H ATOM 19977 H2 TIP3 6784 8.759 7.368 0.698 1.00 0.00 WT1 H ATOM 19978 OH2 TIP3 6785 -2.023 3.055 -1.823 1.00 0.00 WT1 O ATOM 19979 H1 TIP3 6785 -10.678 -3.537 2.608 1.00 0.00 WT1 H ATOM 19980 H2 TIP3 6785 4.160 5.096 2.935 1.00 0.00 WT1 H ATOM 19981 OH2 TIP3 6786 -0.189 -5.376 -2.472 1.00 0.00 WT1 O ATOM 19982 H1 TIP3 6786 -10.679 -26.231 -4.007 1.00 0.00 WT1 H ATOM 19983 H2 TIP3 6786 -14.020 7.051 12.916 1.00 0.00 WT1 H ATOM 19984 OH2 TIP3 6787 -0.807 -0.888 9.789 1.00 0.00 WT1 O ATOM 19985 H1 TIP3 6787 3.307 8.362 11.484 1.00 0.00 WT1 H ATOM 19986 H2 TIP3 6787 -2.466 -0.634 12.303 1.00 0.00 WT1 H ATOM 19987 OH2 TIP3 6788 -0.507 4.149 -3.176 1.00 0.00 WT1 O ATOM 19988 H1 TIP3 6788 -35.398 -5.700 -6.340 1.00 0.00 WT1 H ATOM 19989 H2 TIP3 6788 1.537 5.630 13.534 1.00 0.00 WT1 H ATOM 19990 OH2 TIP3 6789 0.226 -2.428 -0.896 1.00 0.00 WT1 O ATOM 19991 H1 TIP3 6789 -11.188 3.610 13.578 1.00 0.00 WT1 H ATOM 19992 H2 TIP3 6789 6.429 -1.191 3.653 1.00 0.00 WT1 H ATOM 19993 OH2 TIP3 6790 -0.340 7.613 3.368 1.00 0.00 WT1 O ATOM 19994 H1 TIP3 6790 -24.772 5.936 6.624 1.00 0.00 WT1 H ATOM 19995 H2 TIP3 6790 -16.634 9.531 -1.679 1.00 0.00 WT1 H ATOM 19996 OH2 TIP3 6791 -6.021 -1.294 -3.333 1.00 0.00 WT1 O ATOM 19997 H1 TIP3 6791 3.946 -12.698 15.995 1.00 0.00 WT1 H ATOM 19998 H2 TIP3 6791 -0.826 -4.133 3.126 1.00 0.00 WT1 H ATOM 19999 OH2 TIP3 6792 -7.135 -3.221 0.311 1.00 0.00 WT1 O ATOM 20000 H1 TIP3 6792 -8.450 -6.414 4.216 1.00 0.00 WT1 H ATOM 20001 H2 TIP3 6792 -10.864 11.016 -2.533 1.00 0.00 WT1 H ATOM 20002 OH2 TIP3 6793 1.602 1.796 -2.291 1.00 0.00 WT1 O ATOM 20003 H1 TIP3 6793 2.492 -1.097 9.029 1.00 0.00 WT1 H ATOM 20004 H2 TIP3 6793 -31.014 -5.370 -21.068 1.00 0.00 WT1 H ATOM 20005 OH2 TIP3 6794 -2.373 -4.356 -5.794 1.00 0.00 WT1 O ATOM 20006 H1 TIP3 6794 13.813 3.443 -8.329 1.00 0.00 WT1 H ATOM 20007 H2 TIP3 6794 -22.792 -10.259 2.759 1.00 0.00 WT1 H ATOM 20008 OH2 TIP3 6795 3.156 1.229 0.151 1.00 0.00 WT1 O ATOM 20009 H1 TIP3 6795 4.693 8.641 -4.420 1.00 0.00 WT1 H ATOM 20010 H2 TIP3 6795 1.533 -13.530 6.791 1.00 0.00 WT1 H ATOM 20011 OH2 TIP3 6798 4.223 2.722 1.234 1.00 0.00 WT1 O ATOM 20012 H1 TIP3 6798 6.798 -10.693 1.083 1.00 0.00 WT1 H ATOM 20013 H2 TIP3 6798 17.830 -3.117 10.996 1.00 0.00 WT1 H ATOM 20014 OH2 TIP3 6799 5.751 0.095 -1.993 1.00 0.00 WT1 O ATOM 20015 H1 TIP3 6799 14.784 35.332 4.878 1.00 0.00 WT1 H ATOM 20016 H2 TIP3 6799 14.562 20.254 6.455 1.00 0.00 WT1 H ATOM 20017 OH2 TIP3 6800 -1.717 -2.692 -0.645 1.00 0.00 WT1 O ATOM 20018 H1 TIP3 6800 6.193 26.683 17.523 1.00 0.00 WT1 H ATOM 20019 H2 TIP3 6800 -21.840 -3.459 -18.890 1.00 0.00 WT1 H ATOM 20020 OH2 TIP3 6801 3.595 0.276 2.123 1.00 0.00 WT1 O ATOM 20021 H1 TIP3 6801 -0.790 -3.626 20.251 1.00 0.00 WT1 H ATOM 20022 H2 TIP3 6801 3.289 -12.286 7.458 1.00 0.00 WT1 H ATOM 20023 OH2 TIP3 6802 3.012 -6.331 1.629 1.00 0.00 WT1 O ATOM 20024 H1 TIP3 6802 -14.825 -7.950 -3.693 1.00 0.00 WT1 H ATOM 20025 H2 TIP3 6802 9.959 -5.249 -13.581 1.00 0.00 WT1 H ATOM 20026 OH2 TIP3 6803 -0.730 -1.478 -2.572 1.00 0.00 WT1 O ATOM 20027 H1 TIP3 6803 10.967 -15.802 -19.934 1.00 0.00 WT1 H ATOM 20028 H2 TIP3 6803 -9.161 18.544 7.195 1.00 0.00 WT1 H ATOM 20029 OH2 TIP3 6804 -8.424 4.993 3.396 1.00 0.00 WT1 O ATOM 20030 H1 TIP3 6804 -14.047 -3.894 9.741 1.00 0.00 WT1 H ATOM 20031 H2 TIP3 6804 -2.090 3.654 -0.588 1.00 0.00 WT1 H ATOM 20032 OH2 TIP3 6805 7.111 -4.400 4.847 1.00 0.00 WT1 O ATOM 20033 H1 TIP3 6805 9.602 -6.597 0.946 1.00 0.00 WT1 H ATOM 20034 H2 TIP3 6805 2.523 -6.879 5.796 1.00 0.00 WT1 H ATOM 20035 OH2 TIP3 6806 -4.668 -1.550 -0.844 1.00 0.00 WT1 O ATOM 20036 H1 TIP3 6806 -3.407 -1.820 0.477 1.00 0.00 WT1 H ATOM 20037 H2 TIP3 6806 9.031 -6.127 18.993 1.00 0.00 WT1 H ATOM 20038 OH2 TIP3 6807 -3.634 -0.574 1.944 1.00 0.00 WT1 O ATOM 20039 H1 TIP3 6807 -17.076 -5.346 -12.764 1.00 0.00 WT1 H ATOM 20040 H2 TIP3 6807 -6.434 5.638 -4.531 1.00 0.00 WT1 H ATOM 20041 OH2 TIP3 6808 -6.286 0.249 1.948 1.00 0.00 WT1 O ATOM 20042 H1 TIP3 6808 -10.504 -8.069 -0.188 1.00 0.00 WT1 H ATOM 20043 H2 TIP3 6808 -21.854 6.504 0.603 1.00 0.00 WT1 H ATOM 20044 OH2 TIP3 6809 -3.691 -0.749 7.497 1.00 0.00 WT1 O ATOM 20045 H1 TIP3 6809 14.077 24.102 5.465 1.00 0.00 WT1 H ATOM 20046 H2 TIP3 6809 -1.041 -14.106 -3.127 1.00 0.00 WT1 H ATOM 20047 OH2 TIP3 6810 0.241 -2.586 1.907 1.00 0.00 WT1 O ATOM 20048 H1 TIP3 6810 7.255 -34.469 -5.257 1.00 0.00 WT1 H ATOM 20049 H2 TIP3 6810 9.859 -17.933 7.177 1.00 0.00 WT1 H ATOM 20050 OH2 TIP3 6811 5.730 -5.420 9.014 1.00 0.00 WT1 O ATOM 20051 H1 TIP3 6811 1.927 -4.956 9.262 1.00 0.00 WT1 H ATOM 20052 H2 TIP3 6811 5.765 -2.330 -10.183 1.00 0.00 WT1 H ATOM 20053 OH2 TIP3 6812 -5.649 0.079 -2.075 1.00 0.00 WT1 O ATOM 20054 H1 TIP3 6812 21.099 5.353 6.209 1.00 0.00 WT1 H ATOM 20055 H2 TIP3 6812 24.598 -27.089 1.683 1.00 0.00 WT1 H ATOM 20056 OH2 TIP3 6813 1.175 1.360 2.065 1.00 0.00 WT1 O ATOM 20057 H1 TIP3 6813 8.280 -15.377 1.521 1.00 0.00 WT1 H ATOM 20058 H2 TIP3 6813 1.216 7.346 -14.275 1.00 0.00 WT1 H ATOM 20059 OH2 TIP3 6814 1.296 -0.858 -2.468 1.00 0.00 WT1 O ATOM 20060 H1 TIP3 6814 -8.099 17.211 -9.218 1.00 0.00 WT1 H ATOM 20061 H2 TIP3 6814 -2.501 -2.988 -0.736 1.00 0.00 WT1 H ATOM 20062 OH2 TIP3 6817 1.331 3.819 -8.072 1.00 0.00 WT1 O ATOM 20063 H1 TIP3 6817 2.847 11.956 -8.870 1.00 0.00 WT1 H ATOM 20064 H2 TIP3 6817 -7.654 2.896 -6.124 1.00 0.00 WT1 H ATOM 20065 OH2 TIP3 6818 2.512 -7.075 1.415 1.00 0.00 WT1 O ATOM 20066 H1 TIP3 6818 14.288 -1.916 1.167 1.00 0.00 WT1 H ATOM 20067 H2 TIP3 6818 -9.523 7.992 -0.903 1.00 0.00 WT1 H ATOM 20068 OH2 TIP3 6819 6.981 -0.827 1.598 1.00 0.00 WT1 O ATOM 20069 H1 TIP3 6819 1.882 6.217 7.377 1.00 0.00 WT1 H ATOM 20070 H2 TIP3 6819 5.196 6.045 2.533 1.00 0.00 WT1 H ATOM 20071 OH2 TIP3 6820 1.963 -0.470 -4.992 1.00 0.00 WT1 O ATOM 20072 H1 TIP3 6820 17.142 -15.544 9.142 1.00 0.00 WT1 H ATOM 20073 H2 TIP3 6820 10.564 -16.304 14.312 1.00 0.00 WT1 H ATOM 20074 OH2 TIP3 6822 -3.561 -1.296 2.662 1.00 0.00 WT1 O ATOM 20075 H1 TIP3 6822 -16.428 8.692 5.025 1.00 0.00 WT1 H ATOM 20076 H2 TIP3 6822 10.743 16.480 0.472 1.00 0.00 WT1 H ATOM 20077 OH2 TIP3 6823 -6.483 -1.825 -1.834 1.00 0.00 WT1 O ATOM 20078 H1 TIP3 6823 -9.361 -4.167 6.365 1.00 0.00 WT1 H ATOM 20079 H2 TIP3 6823 -15.546 -4.424 -7.262 1.00 0.00 WT1 H ATOM 20080 OH2 TIP3 6824 -1.936 4.142 -0.573 1.00 0.00 WT1 O ATOM 20081 H1 TIP3 6824 11.346 6.676 -15.754 1.00 0.00 WT1 H ATOM 20082 H2 TIP3 6824 0.368 -0.699 1.665 1.00 0.00 WT1 H ATOM 20083 OH2 TIP3 6825 3.358 -4.209 2.433 1.00 0.00 WT1 O ATOM 20084 H1 TIP3 6825 5.275 1.740 -0.191 1.00 0.00 WT1 H ATOM 20085 H2 TIP3 6825 15.442 -14.913 3.142 1.00 0.00 WT1 H ATOM 20086 OH2 TIP3 6826 0.190 0.068 3.808 1.00 0.00 WT1 O ATOM 20087 H1 TIP3 6826 12.665 -0.875 -13.250 1.00 0.00 WT1 H ATOM 20088 H2 TIP3 6826 -32.533 -0.031 -23.354 1.00 0.00 WT1 H ATOM 20089 OH2 TIP3 6827 1.505 -3.662 1.643 1.00 0.00 WT1 O ATOM 20090 H1 TIP3 6827 9.885 -3.593 6.630 1.00 0.00 WT1 H ATOM 20091 H2 TIP3 6827 5.070 -2.608 6.253 1.00 0.00 WT1 H ATOM 20092 OH2 TIP3 6828 -3.271 -1.783 -3.173 1.00 0.00 WT1 O ATOM 20093 H1 TIP3 6828 -0.574 21.252 11.083 1.00 0.00 WT1 H ATOM 20094 H2 TIP3 6828 4.350 10.245 -19.167 1.00 0.00 WT1 H ATOM 20095 OH2 TIP3 6829 1.573 3.436 4.273 1.00 0.00 WT1 O ATOM 20096 H1 TIP3 6829 -14.518 -20.487 -0.477 1.00 0.00 WT1 H ATOM 20097 H2 TIP3 6829 2.249 3.257 3.867 1.00 0.00 WT1 H ATOM 20098 OH2 TIP3 6831 1.182 3.483 -0.569 1.00 0.00 WT1 O ATOM 20099 H1 TIP3 6831 -3.378 12.683 0.779 1.00 0.00 WT1 H ATOM 20100 H2 TIP3 6831 -1.544 1.056 -5.364 1.00 0.00 WT1 H ATOM 20101 OH2 TIP3 6832 2.717 4.581 -3.286 1.00 0.00 WT1 O ATOM 20102 H1 TIP3 6832 10.860 5.880 -0.465 1.00 0.00 WT1 H ATOM 20103 H2 TIP3 6832 -10.979 14.211 4.812 1.00 0.00 WT1 H ATOM 20104 OH2 TIP3 6833 -2.875 6.227 5.239 1.00 0.00 WT1 O ATOM 20105 H1 TIP3 6833 -1.901 6.591 1.332 1.00 0.00 WT1 H ATOM 20106 H2 TIP3 6833 14.748 -12.423 8.057 1.00 0.00 WT1 H ATOM 20107 OH2 TIP3 6834 0.326 6.160 1.732 1.00 0.00 WT1 O ATOM 20108 H1 TIP3 6834 7.176 6.548 -30.331 1.00 0.00 WT1 H ATOM 20109 H2 TIP3 6834 3.036 6.180 -12.383 1.00 0.00 WT1 H ATOM 20110 OH2 TIP3 6836 -5.071 -2.116 0.110 1.00 0.00 WT1 O ATOM 20111 H1 TIP3 6836 -9.081 12.741 7.923 1.00 0.00 WT1 H ATOM 20112 H2 TIP3 6836 -0.450 24.076 -5.058 1.00 0.00 WT1 H ATOM 20113 OH2 TIP3 6837 -0.785 11.808 2.436 1.00 0.00 WT1 O ATOM 20114 H1 TIP3 6837 -1.760 13.072 10.553 1.00 0.00 WT1 H ATOM 20115 H2 TIP3 6837 -7.504 9.255 -14.388 1.00 0.00 WT1 H ATOM 20116 OH2 TIP3 6838 -3.349 2.443 0.521 1.00 0.00 WT1 O ATOM 20117 H1 TIP3 6838 -6.898 -1.065 -1.868 1.00 0.00 WT1 H ATOM 20118 H2 TIP3 6838 -16.246 -2.550 4.763 1.00 0.00 WT1 H ATOM 20119 OH2 TIP3 6839 -0.158 -0.602 -4.018 1.00 0.00 WT1 O ATOM 20120 H1 TIP3 6839 -19.305 13.935 -8.821 1.00 0.00 WT1 H ATOM 20121 H2 TIP3 6839 24.962 -1.018 2.592 1.00 0.00 WT1 H ATOM 20122 OH2 TIP3 6840 2.310 -2.655 6.105 1.00 0.00 WT1 O ATOM 20123 H1 TIP3 6840 -18.246 -5.520 4.086 1.00 0.00 WT1 H ATOM 20124 H2 TIP3 6840 -36.153 -13.171 1.139 1.00 0.00 WT1 H ATOM 20125 OH2 TIP3 6841 -0.049 -1.749 4.992 1.00 0.00 WT1 O ATOM 20126 H1 TIP3 6841 -5.000 -12.258 14.710 1.00 0.00 WT1 H ATOM 20127 H2 TIP3 6841 3.523 9.410 -2.556 1.00 0.00 WT1 H ATOM 20128 OH2 TIP3 6842 3.672 3.701 5.052 1.00 0.00 WT1 O ATOM 20129 H1 TIP3 6842 -14.153 -1.692 2.630 1.00 0.00 WT1 H ATOM 20130 H2 TIP3 6842 -9.071 -6.636 4.939 1.00 0.00 WT1 H ATOM 20131 OH2 TIP3 6843 1.044 -6.166 -3.566 1.00 0.00 WT1 O ATOM 20132 H1 TIP3 6843 7.983 -16.309 15.622 1.00 0.00 WT1 H ATOM 20133 H2 TIP3 6843 -0.473 4.012 2.450 1.00 0.00 WT1 H ATOM 20134 OH2 TIP3 6844 -7.687 -3.803 -0.585 1.00 0.00 WT1 O ATOM 20135 H1 TIP3 6844 -3.079 14.594 -8.726 1.00 0.00 WT1 H ATOM 20136 H2 TIP3 6844 -6.121 -9.278 -7.406 1.00 0.00 WT1 H ATOM 20137 OH2 TIP3 6845 -4.846 5.998 5.366 1.00 0.00 WT1 O ATOM 20138 H1 TIP3 6845 7.188 24.681 4.138 1.00 0.00 WT1 H ATOM 20139 H2 TIP3 6845 2.323 13.107 6.748 1.00 0.00 WT1 H ATOM 20140 OH2 TIP3 6846 3.964 -4.058 -0.837 1.00 0.00 WT1 O ATOM 20141 H1 TIP3 6846 -26.043 0.957 15.662 1.00 0.00 WT1 H ATOM 20142 H2 TIP3 6846 13.798 5.752 8.158 1.00 0.00 WT1 H ATOM 20143 OH2 TIP3 6847 2.777 6.822 -2.650 1.00 0.00 WT1 O ATOM 20144 H1 TIP3 6847 -4.805 -18.682 -5.349 1.00 0.00 WT1 H ATOM 20145 H2 TIP3 6847 -10.695 1.166 0.670 1.00 0.00 WT1 H ATOM 20146 OH2 TIP3 6848 -4.637 -0.850 -3.895 1.00 0.00 WT1 O ATOM 20147 H1 TIP3 6848 1.001 11.105 14.071 1.00 0.00 WT1 H ATOM 20148 H2 TIP3 6848 4.627 12.874 -4.128 1.00 0.00 WT1 H ATOM 20149 OH2 TIP3 6849 2.343 -4.113 0.910 1.00 0.00 WT1 O ATOM 20150 H1 TIP3 6849 -6.574 0.790 5.609 1.00 0.00 WT1 H ATOM 20151 H2 TIP3 6849 4.335 9.469 -4.176 1.00 0.00 WT1 H ATOM 20152 OH2 TIP3 6850 0.581 2.858 0.868 1.00 0.00 WT1 O ATOM 20153 H1 TIP3 6850 20.094 -6.937 13.841 1.00 0.00 WT1 H ATOM 20154 H2 TIP3 6850 -40.174 20.792 -23.767 1.00 0.00 WT1 H ATOM 20155 OH2 TIP3 6851 2.286 0.912 0.155 1.00 0.00 WT1 O ATOM 20156 H1 TIP3 6851 4.521 11.548 -21.813 1.00 0.00 WT1 H ATOM 20157 H2 TIP3 6851 2.016 -5.422 8.267 1.00 0.00 WT1 H ATOM 20158 OH2 TIP3 6852 2.455 4.634 -2.807 1.00 0.00 WT1 O ATOM 20159 H1 TIP3 6852 -4.894 2.138 1.478 1.00 0.00 WT1 H ATOM 20160 H2 TIP3 6852 -10.917 13.956 -13.435 1.00 0.00 WT1 H ATOM 20161 OH2 TIP3 6853 2.149 4.229 -3.770 1.00 0.00 WT1 O ATOM 20162 H1 TIP3 6853 -2.061 16.443 1.117 1.00 0.00 WT1 H ATOM 20163 H2 TIP3 6853 12.232 0.119 1.849 1.00 0.00 WT1 H ATOM 20164 OH2 TIP3 6854 0.832 -0.678 -0.033 1.00 0.00 WT1 O ATOM 20165 H1 TIP3 6854 7.039 9.758 -2.399 1.00 0.00 WT1 H ATOM 20166 H2 TIP3 6854 7.350 -9.223 6.172 1.00 0.00 WT1 H ATOM 20167 OH2 TIP3 6855 1.045 -2.285 -5.726 1.00 0.00 WT1 O ATOM 20168 H1 TIP3 6855 -16.146 -1.817 -11.601 1.00 0.00 WT1 H ATOM 20169 H2 TIP3 6855 -5.280 2.935 10.795 1.00 0.00 WT1 H ATOM 20170 OH2 TIP3 6857 -7.699 1.858 -3.559 1.00 0.00 WT1 O ATOM 20171 H1 TIP3 6857 -4.322 -4.486 2.968 1.00 0.00 WT1 H ATOM 20172 H2 TIP3 6857 -11.636 -1.516 -10.454 1.00 0.00 WT1 H ATOM 20173 OH2 TIP3 6858 -6.042 -0.727 -0.218 1.00 0.00 WT1 O ATOM 20174 H1 TIP3 6858 0.919 10.650 -3.608 1.00 0.00 WT1 H ATOM 20175 H2 TIP3 6858 -7.896 -3.059 -0.050 1.00 0.00 WT1 H ATOM 20176 OH2 TIP3 6859 -8.302 -5.087 -1.101 1.00 0.00 WT1 O ATOM 20177 H1 TIP3 6859 3.591 3.414 -2.726 1.00 0.00 WT1 H ATOM 20178 H2 TIP3 6859 2.327 5.454 0.405 1.00 0.00 WT1 H ATOM 20179 OH2 TIP3 6860 4.126 0.470 -1.532 1.00 0.00 WT1 O ATOM 20180 H1 TIP3 6860 -7.937 -5.929 -33.354 1.00 0.00 WT1 H ATOM 20181 H2 TIP3 6860 -1.535 -7.394 13.341 1.00 0.00 WT1 H ATOM 20182 OH2 TIP3 6861 2.176 5.788 4.530 1.00 0.00 WT1 O ATOM 20183 H1 TIP3 6861 9.493 3.399 20.722 1.00 0.00 WT1 H ATOM 20184 H2 TIP3 6861 -8.771 -5.627 1.118 1.00 0.00 WT1 H ATOM 20185 OH2 TIP3 6862 -0.673 -2.885 4.676 1.00 0.00 WT1 O ATOM 20186 H1 TIP3 6862 -2.252 10.085 -5.279 1.00 0.00 WT1 H ATOM 20187 H2 TIP3 6862 -10.109 -5.525 7.074 1.00 0.00 WT1 H ATOM 20188 OH2 TIP3 6863 2.679 -2.351 1.040 1.00 0.00 WT1 O ATOM 20189 H1 TIP3 6863 -3.770 20.305 13.405 1.00 0.00 WT1 H ATOM 20190 H2 TIP3 6863 -17.473 -15.707 13.749 1.00 0.00 WT1 H ATOM 20191 OH2 TIP3 6864 -3.498 2.027 2.632 1.00 0.00 WT1 O ATOM 20192 H1 TIP3 6864 -19.633 19.331 9.955 1.00 0.00 WT1 H ATOM 20193 H2 TIP3 6864 17.735 11.834 -12.178 1.00 0.00 WT1 H ATOM 20194 OH2 TIP3 6865 2.528 -8.543 -2.750 1.00 0.00 WT1 O ATOM 20195 H1 TIP3 6865 20.002 -19.338 -4.749 1.00 0.00 WT1 H ATOM 20196 H2 TIP3 6865 -27.961 23.131 10.380 1.00 0.00 WT1 H ATOM 20197 OH2 TIP3 6866 3.742 2.293 -0.031 1.00 0.00 WT1 O ATOM 20198 H1 TIP3 6866 6.497 2.507 3.588 1.00 0.00 WT1 H ATOM 20199 H2 TIP3 6866 -3.953 4.628 3.832 1.00 0.00 WT1 H ATOM 20200 OH2 TIP3 6867 -3.391 -0.436 2.445 1.00 0.00 WT1 O ATOM 20201 H1 TIP3 6867 -2.200 -15.631 -10.557 1.00 0.00 WT1 H ATOM 20202 H2 TIP3 6867 3.800 -4.756 -4.815 1.00 0.00 WT1 H ATOM 20203 OH2 TIP3 6868 4.140 7.598 -0.401 1.00 0.00 WT1 O ATOM 20204 H1 TIP3 6868 0.139 12.775 6.574 1.00 0.00 WT1 H ATOM 20205 H2 TIP3 6868 4.133 5.939 2.273 1.00 0.00 WT1 H ATOM 20206 OH2 TIP3 6869 -2.292 -0.951 0.113 1.00 0.00 WT1 O ATOM 20207 H1 TIP3 6869 -0.492 -2.292 0.188 1.00 0.00 WT1 H ATOM 20208 H2 TIP3 6869 15.523 1.096 1.314 1.00 0.00 WT1 H ATOM 20209 OH2 TIP3 6870 4.535 0.904 0.084 1.00 0.00 WT1 O ATOM 20210 H1 TIP3 6870 7.040 -7.927 7.399 1.00 0.00 WT1 H ATOM 20211 H2 TIP3 6870 1.317 -0.193 24.860 1.00 0.00 WT1 H ATOM 20212 OH2 TIP3 6872 -3.208 -4.014 -3.541 1.00 0.00 WT1 O ATOM 20213 H1 TIP3 6872 -4.497 -7.312 -9.474 1.00 0.00 WT1 H ATOM 20214 H2 TIP3 6872 11.935 -4.588 13.812 1.00 0.00 WT1 H ATOM 20215 OH2 TIP3 6873 1.326 -1.348 -2.977 1.00 0.00 WT1 O ATOM 20216 H1 TIP3 6873 21.017 3.377 -3.043 1.00 0.00 WT1 H ATOM 20217 H2 TIP3 6873 -3.866 17.388 -6.545 1.00 0.00 WT1 H ATOM 20218 OH2 TIP3 6874 -0.800 -1.202 -0.397 1.00 0.00 WT1 O ATOM 20219 H1 TIP3 6874 0.219 2.285 -3.519 1.00 0.00 WT1 H ATOM 20220 H2 TIP3 6874 -0.422 -5.111 6.831 1.00 0.00 WT1 H ATOM 20221 OH2 TIP3 6875 1.404 -1.089 5.642 1.00 0.00 WT1 O ATOM 20222 H1 TIP3 6875 -14.377 -11.381 -8.879 1.00 0.00 WT1 H ATOM 20223 H2 TIP3 6875 -8.230 -21.515 18.896 1.00 0.00 WT1 H ATOM 20224 OH2 TIP3 6878 -2.843 2.730 1.379 1.00 0.00 WT1 O ATOM 20225 H1 TIP3 6878 17.971 10.837 -3.650 1.00 0.00 WT1 H ATOM 20226 H2 TIP3 6878 4.746 7.159 4.316 1.00 0.00 WT1 H ATOM 20227 OH2 TIP3 6879 1.069 -2.286 0.422 1.00 0.00 WT1 O ATOM 20228 H1 TIP3 6879 4.558 -15.263 -13.313 1.00 0.00 WT1 H ATOM 20229 H2 TIP3 6879 5.707 -10.164 -7.994 1.00 0.00 WT1 H ATOM 20230 OH2 TIP3 6880 -2.124 1.959 -3.567 1.00 0.00 WT1 O ATOM 20231 H1 TIP3 6880 -3.430 -20.960 -2.295 1.00 0.00 WT1 H ATOM 20232 H2 TIP3 6880 11.261 2.007 15.975 1.00 0.00 WT1 H ATOM 20233 OH2 TIP3 6883 -0.528 -1.651 -1.835 1.00 0.00 WT1 O ATOM 20234 H1 TIP3 6883 -2.717 -0.336 19.734 1.00 0.00 WT1 H ATOM 20235 H2 TIP3 6883 7.599 -13.423 -30.094 1.00 0.00 WT1 H ATOM 20236 OH2 TIP3 6884 2.984 1.516 -0.697 1.00 0.00 WT1 O ATOM 20237 H1 TIP3 6884 -7.337 8.060 0.985 1.00 0.00 WT1 H ATOM 20238 H2 TIP3 6884 -3.356 -13.791 -3.478 1.00 0.00 WT1 H ATOM 20239 OH2 TIP3 6886 1.018 -8.070 5.686 1.00 0.00 WT1 O ATOM 20240 H1 TIP3 6886 18.406 -0.561 5.277 1.00 0.00 WT1 H ATOM 20241 H2 TIP3 6886 4.414 -1.021 -0.217 1.00 0.00 WT1 H ATOM 20242 OH2 TIP3 6887 -1.414 -3.469 1.286 1.00 0.00 WT1 O ATOM 20243 H1 TIP3 6887 3.842 20.262 -21.381 1.00 0.00 WT1 H ATOM 20244 H2 TIP3 6887 -9.014 -17.412 6.796 1.00 0.00 WT1 H ATOM 20245 OH2 TIP3 6888 2.519 0.384 -3.628 1.00 0.00 WT1 O ATOM 20246 H1 TIP3 6888 11.561 2.906 8.782 1.00 0.00 WT1 H ATOM 20247 H2 TIP3 6888 13.882 4.825 9.321 1.00 0.00 WT1 H ATOM 20248 OH2 TIP3 6889 -2.547 -0.197 -3.876 1.00 0.00 WT1 O ATOM 20249 H1 TIP3 6889 10.515 22.625 14.398 1.00 0.00 WT1 H ATOM 20250 H2 TIP3 6889 -7.453 10.454 26.384 1.00 0.00 WT1 H ATOM 20251 OH2 TIP3 6890 -5.522 -7.110 -0.240 1.00 0.00 WT1 O ATOM 20252 H1 TIP3 6890 -1.596 -2.255 -5.840 1.00 0.00 WT1 H ATOM 20253 H2 TIP3 6890 -11.372 -0.884 7.154 1.00 0.00 WT1 H ATOM 20254 OH2 TIP3 6891 2.634 1.593 2.896 1.00 0.00 WT1 O ATOM 20255 H1 TIP3 6891 17.678 1.833 -10.547 1.00 0.00 WT1 H ATOM 20256 H2 TIP3 6891 -21.551 -8.641 16.085 1.00 0.00 WT1 H ATOM 20257 OH2 TIP3 6892 0.488 -1.614 -2.659 1.00 0.00 WT1 O ATOM 20258 H1 TIP3 6892 -0.865 -2.809 -2.614 1.00 0.00 WT1 H ATOM 20259 H2 TIP3 6892 2.115 7.166 7.915 1.00 0.00 WT1 H ATOM 20260 OH2 TIP3 6893 -1.149 -0.653 -4.777 1.00 0.00 WT1 O ATOM 20261 H1 TIP3 6893 -17.285 -12.103 -6.641 1.00 0.00 WT1 H ATOM 20262 H2 TIP3 6893 6.692 -11.246 -5.873 1.00 0.00 WT1 H ATOM 20263 OH2 TIP3 6894 1.211 -6.811 -5.357 1.00 0.00 WT1 O ATOM 20264 H1 TIP3 6894 -8.690 -3.142 -6.667 1.00 0.00 WT1 H ATOM 20265 H2 TIP3 6894 7.003 -6.851 -0.766 1.00 0.00 WT1 H ATOM 20266 OH2 TIP3 6895 -1.509 2.282 2.038 1.00 0.00 WT1 O ATOM 20267 H1 TIP3 6895 -9.305 -6.295 0.906 1.00 0.00 WT1 H ATOM 20268 H2 TIP3 6895 1.286 5.313 -7.888 1.00 0.00 WT1 H ATOM 20269 OH2 TIP3 6896 11.162 -7.725 0.904 1.00 0.00 WT1 O ATOM 20270 H1 TIP3 6896 13.149 -24.715 2.748 1.00 0.00 WT1 H ATOM 20271 H2 TIP3 6896 12.961 0.988 -2.271 1.00 0.00 WT1 H ATOM 20272 OH2 TIP3 6897 0.224 4.526 1.519 1.00 0.00 WT1 O ATOM 20273 H1 TIP3 6897 -17.588 -11.620 4.482 1.00 0.00 WT1 H ATOM 20274 H2 TIP3 6897 -5.653 5.779 -5.001 1.00 0.00 WT1 H ATOM 20275 OH2 TIP3 6898 0.143 -7.205 1.895 1.00 0.00 WT1 O ATOM 20276 H1 TIP3 6898 -2.669 1.243 -9.553 1.00 0.00 WT1 H ATOM 20277 H2 TIP3 6898 11.085 -0.241 1.616 1.00 0.00 WT1 H ATOM 20278 OH2 TIP3 6899 9.161 -2.750 3.240 1.00 0.00 WT1 O ATOM 20279 H1 TIP3 6899 20.602 2.700 13.815 1.00 0.00 WT1 H ATOM 20280 H2 TIP3 6899 4.543 -11.587 -7.117 1.00 0.00 WT1 H ATOM 20281 OH2 TIP3 6900 -0.256 -0.331 -3.303 1.00 0.00 WT1 O ATOM 20282 H1 TIP3 6900 -2.101 -22.663 -1.061 1.00 0.00 WT1 H ATOM 20283 H2 TIP3 6900 -1.228 -2.443 -26.805 1.00 0.00 WT1 H ATOM 20284 OH2 TIP3 6902 -4.456 -4.116 -2.399 1.00 0.00 WT1 O ATOM 20285 H1 TIP3 6902 -14.028 -12.022 -6.573 1.00 0.00 WT1 H ATOM 20286 H2 TIP3 6902 -2.775 -5.174 -5.075 1.00 0.00 WT1 H ATOM 20287 OH2 TIP3 6903 -2.565 -2.396 -3.780 1.00 0.00 WT1 O ATOM 20288 H1 TIP3 6903 25.484 19.176 -2.412 1.00 0.00 WT1 H ATOM 20289 H2 TIP3 6903 -2.989 -1.502 -2.319 1.00 0.00 WT1 H ATOM 20290 OH2 TIP3 6905 -2.809 -6.590 -1.250 1.00 0.00 WT1 O ATOM 20291 H1 TIP3 6905 -0.554 2.950 -3.709 1.00 0.00 WT1 H ATOM 20292 H2 TIP3 6905 -9.720 -8.660 4.806 1.00 0.00 WT1 H ATOM 20293 OH2 TIP3 6906 -4.895 2.489 2.732 1.00 0.00 WT1 O ATOM 20294 H1 TIP3 6906 25.807 -13.340 27.476 1.00 0.00 WT1 H ATOM 20295 H2 TIP3 6906 -22.355 34.259 -5.879 1.00 0.00 WT1 H ATOM 20296 OH2 TIP3 6907 -6.538 0.204 0.858 1.00 0.00 WT1 O ATOM 20297 H1 TIP3 6907 -10.001 2.115 1.153 1.00 0.00 WT1 H ATOM 20298 H2 TIP3 6907 -4.963 -7.240 1.722 1.00 0.00 WT1 H ATOM 20299 OH2 TIP3 6908 1.172 -2.893 -8.062 1.00 0.00 WT1 O ATOM 20300 H1 TIP3 6908 -18.860 -3.152 19.454 1.00 0.00 WT1 H ATOM 20301 H2 TIP3 6908 -23.963 -20.066 -25.487 1.00 0.00 WT1 H ATOM 20302 OH2 TIP3 6909 2.949 3.282 2.956 1.00 0.00 WT1 O ATOM 20303 H1 TIP3 6909 -1.070 7.552 -0.474 1.00 0.00 WT1 H ATOM 20304 H2 TIP3 6909 2.601 5.524 0.112 1.00 0.00 WT1 H ATOM 20305 OH2 TIP3 6910 4.461 -0.899 -2.412 1.00 0.00 WT1 O ATOM 20306 H1 TIP3 6910 33.739 -1.974 -5.710 1.00 0.00 WT1 H ATOM 20307 H2 TIP3 6910 -5.557 0.350 0.298 1.00 0.00 WT1 H ATOM 20308 OH2 TIP3 6911 0.149 8.307 3.096 1.00 0.00 WT1 O ATOM 20309 H1 TIP3 6911 1.803 -12.266 -5.345 1.00 0.00 WT1 H ATOM 20310 H2 TIP3 6911 -3.763 -5.777 -1.360 1.00 0.00 WT1 H ATOM 20311 OH2 TIP3 6912 7.004 4.694 2.827 1.00 0.00 WT1 O ATOM 20312 H1 TIP3 6912 8.469 16.663 -6.820 1.00 0.00 WT1 H ATOM 20313 H2 TIP3 6912 4.589 7.971 6.615 1.00 0.00 WT1 H ATOM 20314 OH2 TIP3 6913 3.691 -1.839 -4.447 1.00 0.00 WT1 O ATOM 20315 H1 TIP3 6913 5.061 -0.307 -4.089 1.00 0.00 WT1 H ATOM 20316 H2 TIP3 6913 3.845 0.108 -3.697 1.00 0.00 WT1 H ATOM 20317 OH2 TIP3 6914 -0.459 -0.071 0.968 1.00 0.00 WT1 O ATOM 20318 H1 TIP3 6914 3.059 -8.433 -6.975 1.00 0.00 WT1 H ATOM 20319 H2 TIP3 6914 12.331 -12.267 -11.882 1.00 0.00 WT1 H ATOM 20320 OH2 TIP3 6915 -0.545 -4.155 -2.588 1.00 0.00 WT1 O ATOM 20321 H1 TIP3 6915 16.750 6.204 -0.642 1.00 0.00 WT1 H ATOM 20322 H2 TIP3 6915 -2.148 -13.426 -11.766 1.00 0.00 WT1 H ATOM 20323 OH2 TIP3 6916 2.971 -5.126 1.732 1.00 0.00 WT1 O ATOM 20324 H1 TIP3 6916 5.056 -5.607 4.129 1.00 0.00 WT1 H ATOM 20325 H2 TIP3 6916 -4.154 18.529 -2.008 1.00 0.00 WT1 H ATOM 20326 OH2 TIP3 6917 -3.788 -7.562 -3.735 1.00 0.00 WT1 O ATOM 20327 H1 TIP3 6917 -19.255 12.813 -3.692 1.00 0.00 WT1 H ATOM 20328 H2 TIP3 6917 0.068 11.781 21.825 1.00 0.00 WT1 H ATOM 20329 OH2 TIP3 6919 2.805 -0.197 2.111 1.00 0.00 WT1 O ATOM 20330 H1 TIP3 6919 5.024 2.130 6.498 1.00 0.00 WT1 H ATOM 20331 H2 TIP3 6919 -0.680 -3.542 -6.799 1.00 0.00 WT1 H ATOM 20332 OH2 TIP3 6920 6.065 -5.810 2.871 1.00 0.00 WT1 O ATOM 20333 H1 TIP3 6920 13.048 16.712 6.316 1.00 0.00 WT1 H ATOM 20334 H2 TIP3 6920 6.770 -8.324 -0.314 1.00 0.00 WT1 H ATOM 20335 OH2 TIP3 6921 -1.587 -0.825 -13.108 1.00 0.00 WT1 O ATOM 20336 H1 TIP3 6921 -12.506 4.518 -7.345 1.00 0.00 WT1 H ATOM 20337 H2 TIP3 6921 2.644 -10.286 -10.564 1.00 0.00 WT1 H ATOM 20338 OH2 TIP3 6922 -1.032 0.585 6.379 1.00 0.00 WT1 O ATOM 20339 H1 TIP3 6922 -15.153 11.989 7.071 1.00 0.00 WT1 H ATOM 20340 H2 TIP3 6922 3.358 0.206 1.288 1.00 0.00 WT1 H ATOM 20341 OH2 TIP3 6923 -2.654 2.119 -6.861 1.00 0.00 WT1 O ATOM 20342 H1 TIP3 6923 -6.785 10.810 -17.598 1.00 0.00 WT1 H ATOM 20343 H2 TIP3 6923 11.126 5.064 -5.129 1.00 0.00 WT1 H ATOM 20344 OH2 TIP3 6924 -2.110 4.177 -8.665 1.00 0.00 WT1 O ATOM 20345 H1 TIP3 6924 -0.434 -1.391 12.216 1.00 0.00 WT1 H ATOM 20346 H2 TIP3 6924 -15.373 -7.858 4.856 1.00 0.00 WT1 H ATOM 20347 OH2 TIP3 6925 4.261 -2.285 1.741 1.00 0.00 WT1 O ATOM 20348 H1 TIP3 6925 -4.038 7.280 4.593 1.00 0.00 WT1 H ATOM 20349 H2 TIP3 6925 -6.410 5.141 7.478 1.00 0.00 WT1 H ATOM 20350 OH2 TIP3 6927 2.517 1.801 -2.397 1.00 0.00 WT1 O ATOM 20351 H1 TIP3 6927 6.819 35.994 0.852 1.00 0.00 WT1 H ATOM 20352 H2 TIP3 6927 23.634 -7.683 -26.261 1.00 0.00 WT1 H ATOM 20353 OH2 TIP3 6928 1.594 1.056 -0.402 1.00 0.00 WT1 O ATOM 20354 H1 TIP3 6928 13.398 -20.138 -6.841 1.00 0.00 WT1 H ATOM 20355 H2 TIP3 6928 -4.208 12.434 9.511 1.00 0.00 WT1 H ATOM 20356 OH2 TIP3 6929 -3.355 1.985 1.267 1.00 0.00 WT1 O ATOM 20357 H1 TIP3 6929 2.140 -6.053 -6.409 1.00 0.00 WT1 H ATOM 20358 H2 TIP3 6929 -5.467 21.890 -16.112 1.00 0.00 WT1 H ATOM 20359 OH2 TIP3 6930 1.786 -1.740 1.579 1.00 0.00 WT1 O ATOM 20360 H1 TIP3 6930 13.296 0.591 0.069 1.00 0.00 WT1 H ATOM 20361 H2 TIP3 6930 -0.253 -14.645 -4.337 1.00 0.00 WT1 H ATOM 20362 OH2 TIP3 6931 -6.356 -1.144 3.765 1.00 0.00 WT1 O ATOM 20363 H1 TIP3 6931 -20.765 0.735 4.972 1.00 0.00 WT1 H ATOM 20364 H2 TIP3 6931 -11.844 2.301 0.865 1.00 0.00 WT1 H ATOM 20365 OH2 TIP3 6932 0.040 5.522 7.761 1.00 0.00 WT1 O ATOM 20366 H1 TIP3 6932 -23.580 1.959 -11.242 1.00 0.00 WT1 H ATOM 20367 H2 TIP3 6932 19.756 -18.679 -3.182 1.00 0.00 WT1 H ATOM 20368 OH2 TIP3 6933 -3.038 -0.196 1.323 1.00 0.00 WT1 O ATOM 20369 H1 TIP3 6933 11.629 30.514 10.135 1.00 0.00 WT1 H ATOM 20370 H2 TIP3 6933 -17.466 1.913 -1.700 1.00 0.00 WT1 H ATOM 20371 OH2 TIP3 6934 -4.239 1.802 1.845 1.00 0.00 WT1 O ATOM 20372 H1 TIP3 6934 14.022 -0.398 3.703 1.00 0.00 WT1 H ATOM 20373 H2 TIP3 6934 0.694 13.278 6.812 1.00 0.00 WT1 H ATOM 20374 OH2 TIP3 6935 2.118 0.090 0.894 1.00 0.00 WT1 O ATOM 20375 H1 TIP3 6935 15.790 2.183 10.287 1.00 0.00 WT1 H ATOM 20376 H2 TIP3 6935 2.373 27.784 -2.857 1.00 0.00 WT1 H ATOM 20377 OH2 TIP3 6936 -1.504 0.952 5.727 1.00 0.00 WT1 O ATOM 20378 H1 TIP3 6936 -11.682 -13.255 17.293 1.00 0.00 WT1 H ATOM 20379 H2 TIP3 6936 -0.163 -7.878 9.033 1.00 0.00 WT1 H ATOM 20380 OH2 TIP3 6937 -0.549 -4.865 2.020 1.00 0.00 WT1 O ATOM 20381 H1 TIP3 6937 2.242 -9.159 -29.310 1.00 0.00 WT1 H ATOM 20382 H2 TIP3 6937 20.425 8.832 13.161 1.00 0.00 WT1 H ATOM 20383 OH2 TIP3 6938 0.485 2.078 4.374 1.00 0.00 WT1 O ATOM 20384 H1 TIP3 6938 16.670 1.967 6.013 1.00 0.00 WT1 H ATOM 20385 H2 TIP3 6938 19.889 8.099 7.980 1.00 0.00 WT1 H ATOM 20386 OH2 TIP3 6940 -0.275 -4.619 -1.155 1.00 0.00 WT1 O ATOM 20387 H1 TIP3 6940 2.717 5.435 10.582 1.00 0.00 WT1 H ATOM 20388 H2 TIP3 6940 -11.038 -19.991 1.570 1.00 0.00 WT1 H ATOM 20389 OH2 TIP3 6941 5.521 -1.326 -1.133 1.00 0.00 WT1 O ATOM 20390 H1 TIP3 6941 6.991 2.214 -20.479 1.00 0.00 WT1 H ATOM 20391 H2 TIP3 6941 -22.510 -13.983 -3.107 1.00 0.00 WT1 H ATOM 20392 OH2 TIP3 6943 -1.961 -0.159 1.474 1.00 0.00 WT1 O ATOM 20393 H1 TIP3 6943 2.225 -7.138 2.064 1.00 0.00 WT1 H ATOM 20394 H2 TIP3 6943 7.658 8.876 -10.498 1.00 0.00 WT1 H ATOM 20395 OH2 TIP3 6944 1.819 9.514 2.835 1.00 0.00 WT1 O ATOM 20396 H1 TIP3 6944 -10.376 6.185 9.016 1.00 0.00 WT1 H ATOM 20397 H2 TIP3 6944 8.517 8.608 -3.033 1.00 0.00 WT1 H ATOM 20398 OH2 TIP3 6945 -0.633 2.455 2.650 1.00 0.00 WT1 O ATOM 20399 H1 TIP3 6945 8.527 -1.655 3.294 1.00 0.00 WT1 H ATOM 20400 H2 TIP3 6945 7.799 -6.155 3.528 1.00 0.00 WT1 H ATOM 20401 OH2 TIP3 6946 -2.610 -4.247 -2.075 1.00 0.00 WT1 O ATOM 20402 H1 TIP3 6946 21.947 14.660 -6.600 1.00 0.00 WT1 H ATOM 20403 H2 TIP3 6946 -17.867 -21.809 -17.944 1.00 0.00 WT1 H ATOM 20404 OH2 TIP3 6947 3.597 0.883 0.234 1.00 0.00 WT1 O ATOM 20405 H1 TIP3 6947 7.266 -28.471 -13.465 1.00 0.00 WT1 H ATOM 20406 H2 TIP3 6947 -16.836 -5.603 -11.936 1.00 0.00 WT1 H ATOM 20407 OH2 TIP3 6949 -6.726 2.605 1.829 1.00 0.00 WT1 O ATOM 20408 H1 TIP3 6949 3.596 5.617 5.054 1.00 0.00 WT1 H ATOM 20409 H2 TIP3 6949 -8.079 -6.334 8.131 1.00 0.00 WT1 H ATOM 20410 OH2 TIP3 6950 2.363 0.376 -0.426 1.00 0.00 WT1 O ATOM 20411 H1 TIP3 6950 1.490 -8.004 -2.528 1.00 0.00 WT1 H ATOM 20412 H2 TIP3 6950 2.842 -5.846 -4.403 1.00 0.00 WT1 H ATOM 20413 OH2 TIP3 6951 -3.255 8.973 -0.814 1.00 0.00 WT1 O ATOM 20414 H1 TIP3 6951 8.931 -11.798 -13.660 1.00 0.00 WT1 H ATOM 20415 H2 TIP3 6951 -8.888 24.702 13.380 1.00 0.00 WT1 H ATOM 20416 OH2 TIP3 6952 1.108 0.432 -2.129 1.00 0.00 WT1 O ATOM 20417 H1 TIP3 6952 -3.046 -17.992 4.441 1.00 0.00 WT1 H ATOM 20418 H2 TIP3 6952 28.488 -2.577 -15.589 1.00 0.00 WT1 H ATOM 20419 OH2 TIP3 6953 -2.196 0.933 -4.500 1.00 0.00 WT1 O ATOM 20420 H1 TIP3 6953 11.395 3.796 0.905 1.00 0.00 WT1 H ATOM 20421 H2 TIP3 6953 -4.561 1.161 -15.439 1.00 0.00 WT1 H ATOM 20422 OH2 TIP3 6954 -2.159 3.741 -3.288 1.00 0.00 WT1 O ATOM 20423 H1 TIP3 6954 10.765 18.333 6.379 1.00 0.00 WT1 H ATOM 20424 H2 TIP3 6954 -17.760 -16.169 9.163 1.00 0.00 WT1 H ATOM 20425 OH2 TIP3 6955 0.050 4.672 -0.858 1.00 0.00 WT1 O ATOM 20426 H1 TIP3 6955 12.764 0.995 -14.380 1.00 0.00 WT1 H ATOM 20427 H2 TIP3 6955 -17.220 14.204 6.421 1.00 0.00 WT1 H ATOM 20428 OH2 TIP3 6957 1.925 0.821 6.349 1.00 0.00 WT1 O ATOM 20429 H1 TIP3 6957 -7.196 -6.146 5.973 1.00 0.00 WT1 H ATOM 20430 H2 TIP3 6957 5.529 7.300 1.479 1.00 0.00 WT1 H ATOM 20431 OH2 TIP3 6958 -7.331 2.268 1.086 1.00 0.00 WT1 O ATOM 20432 H1 TIP3 6958 2.245 -8.934 -17.251 1.00 0.00 WT1 H ATOM 20433 H2 TIP3 6958 -9.355 -5.180 -15.242 1.00 0.00 WT1 H ATOM 20434 OH2 TIP3 6959 -0.769 -0.700 -0.987 1.00 0.00 WT1 O ATOM 20435 H1 TIP3 6959 40.552 -7.487 -6.002 1.00 0.00 WT1 H ATOM 20436 H2 TIP3 6959 3.247 -13.130 -18.793 1.00 0.00 WT1 H ATOM 20437 OH2 TIP3 6963 2.120 8.057 2.089 1.00 0.00 WT1 O ATOM 20438 H1 TIP3 6963 -7.628 2.749 -7.165 1.00 0.00 WT1 H ATOM 20439 H2 TIP3 6963 3.126 12.996 -4.252 1.00 0.00 WT1 H ATOM 20440 OH2 TIP3 6964 0.222 2.482 2.707 1.00 0.00 WT1 O ATOM 20441 H1 TIP3 6964 6.590 -24.021 -1.307 1.00 0.00 WT1 H ATOM 20442 H2 TIP3 6964 -4.648 -1.345 5.808 1.00 0.00 WT1 H ATOM 20443 OH2 TIP3 6965 11.718 -4.297 -1.651 1.00 0.00 WT1 O ATOM 20444 H1 TIP3 6965 15.574 -8.305 1.769 1.00 0.00 WT1 H ATOM 20445 H2 TIP3 6965 9.514 1.835 -0.837 1.00 0.00 WT1 H ATOM 20446 OH2 TIP3 6967 4.753 5.192 9.540 1.00 0.00 WT1 O ATOM 20447 H1 TIP3 6967 14.872 -3.102 25.802 1.00 0.00 WT1 H ATOM 20448 H2 TIP3 6967 3.015 -9.601 -6.024 1.00 0.00 WT1 H ATOM 20449 OH2 TIP3 6968 -3.798 2.045 -1.341 1.00 0.00 WT1 O ATOM 20450 H1 TIP3 6968 -7.474 -5.746 -8.380 1.00 0.00 WT1 H ATOM 20451 H2 TIP3 6968 3.587 -0.913 0.184 1.00 0.00 WT1 H ATOM 20452 OH2 TIP3 6969 0.749 1.178 3.434 1.00 0.00 WT1 O ATOM 20453 H1 TIP3 6969 14.734 18.765 6.705 1.00 0.00 WT1 H ATOM 20454 H2 TIP3 6969 -7.383 9.488 -5.009 1.00 0.00 WT1 H ATOM 20455 OH2 TIP3 6970 2.701 4.721 -3.112 1.00 0.00 WT1 O ATOM 20456 H1 TIP3 6970 3.835 4.913 -7.614 1.00 0.00 WT1 H ATOM 20457 H2 TIP3 6970 4.716 -14.144 9.943 1.00 0.00 WT1 H ATOM 20458 OH2 TIP3 6971 -2.318 -0.731 9.807 1.00 0.00 WT1 O ATOM 20459 H1 TIP3 6971 -15.068 -4.624 -18.581 1.00 0.00 WT1 H ATOM 20460 H2 TIP3 6971 7.128 7.962 5.942 1.00 0.00 WT1 H ATOM 20461 OH2 TIP3 6972 2.021 -3.033 1.799 1.00 0.00 WT1 O ATOM 20462 H1 TIP3 6972 13.686 3.235 15.606 1.00 0.00 WT1 H ATOM 20463 H2 TIP3 6972 4.177 5.375 25.160 1.00 0.00 WT1 H ATOM 20464 OH2 TIP3 6973 1.105 5.746 -4.770 1.00 0.00 WT1 O ATOM 20465 H1 TIP3 6973 20.553 5.183 -10.328 1.00 0.00 WT1 H ATOM 20466 H2 TIP3 6973 17.105 3.680 -10.501 1.00 0.00 WT1 H ATOM 20467 OH2 TIP3 6974 -1.494 10.354 -4.531 1.00 0.00 WT1 O ATOM 20468 H1 TIP3 6974 -22.016 -5.314 -13.532 1.00 0.00 WT1 H ATOM 20469 H2 TIP3 6974 19.717 10.528 -13.045 1.00 0.00 WT1 H ATOM 20470 OH2 TIP3 6975 -2.234 -1.498 5.657 1.00 0.00 WT1 O ATOM 20471 H1 TIP3 6975 10.385 1.386 -3.363 1.00 0.00 WT1 H ATOM 20472 H2 TIP3 6975 3.924 5.860 4.098 1.00 0.00 WT1 H ATOM 20473 OH2 TIP3 6976 -2.006 -0.555 -8.970 1.00 0.00 WT1 O ATOM 20474 H1 TIP3 6976 -2.249 0.674 -9.935 1.00 0.00 WT1 H ATOM 20475 H2 TIP3 6976 -5.647 -8.997 -5.359 1.00 0.00 WT1 H ATOM 20476 OH2 TIP3 6977 -2.905 -3.082 1.777 1.00 0.00 WT1 O ATOM 20477 H1 TIP3 6977 -8.449 3.001 -4.098 1.00 0.00 WT1 H ATOM 20478 H2 TIP3 6977 -5.679 1.597 -10.055 1.00 0.00 WT1 H ATOM 20479 OH2 TIP3 6978 6.000 -2.618 -2.284 1.00 0.00 WT1 O ATOM 20480 H1 TIP3 6978 -4.855 7.106 -12.516 1.00 0.00 WT1 H ATOM 20481 H2 TIP3 6978 4.072 6.178 -22.455 1.00 0.00 WT1 H ATOM 20482 OH2 TIP3 6979 -0.076 -1.724 -6.678 1.00 0.00 WT1 O ATOM 20483 H1 TIP3 6979 -12.285 -13.979 13.682 1.00 0.00 WT1 H ATOM 20484 H2 TIP3 6979 9.229 2.641 3.169 1.00 0.00 WT1 H ATOM 20485 OH2 TIP3 6980 0.587 4.818 -0.649 1.00 0.00 WT1 O ATOM 20486 H1 TIP3 6980 6.837 -1.294 -0.199 1.00 0.00 WT1 H ATOM 20487 H2 TIP3 6980 -2.493 -4.883 18.146 1.00 0.00 WT1 H ATOM 20488 OH2 TIP3 6983 -0.829 -0.920 -3.859 1.00 0.00 WT1 O ATOM 20489 H1 TIP3 6983 -3.530 0.886 -3.716 1.00 0.00 WT1 H ATOM 20490 H2 TIP3 6983 -10.504 7.434 -11.616 1.00 0.00 WT1 H ATOM 20491 OH2 TIP3 6985 -1.140 2.298 4.089 1.00 0.00 WT1 O ATOM 20492 H1 TIP3 6985 12.048 -16.370 -5.718 1.00 0.00 WT1 H ATOM 20493 H2 TIP3 6985 -9.121 -2.254 3.566 1.00 0.00 WT1 H ATOM 20494 OH2 TIP3 6987 -5.159 1.361 3.138 1.00 0.00 WT1 O ATOM 20495 H1 TIP3 6987 -9.903 -10.645 1.960 1.00 0.00 WT1 H ATOM 20496 H2 TIP3 6987 6.005 23.501 3.025 1.00 0.00 WT1 H ATOM 20497 OH2 TIP3 6988 0.209 -2.806 -0.594 1.00 0.00 WT1 O ATOM 20498 H1 TIP3 6988 0.204 -2.370 4.782 1.00 0.00 WT1 H ATOM 20499 H2 TIP3 6988 20.537 11.555 4.221 1.00 0.00 WT1 H ATOM 20500 OH2 TIP3 6989 0.053 3.077 5.287 1.00 0.00 WT1 O ATOM 20501 H1 TIP3 6989 4.181 6.704 12.123 1.00 0.00 WT1 H ATOM 20502 H2 TIP3 6989 -10.394 -1.734 -10.187 1.00 0.00 WT1 H ATOM 20503 OH2 TIP3 6991 -1.903 0.456 -0.327 1.00 0.00 WT1 O ATOM 20504 H1 TIP3 6991 -8.571 -13.930 -1.493 1.00 0.00 WT1 H ATOM 20505 H2 TIP3 6991 16.637 3.641 -10.953 1.00 0.00 WT1 H ATOM 20506 OH2 TIP3 6992 0.074 -7.058 -0.220 1.00 0.00 WT1 O ATOM 20507 H1 TIP3 6992 -6.670 -5.500 -0.838 1.00 0.00 WT1 H ATOM 20508 H2 TIP3 6992 -25.322 11.246 -2.079 1.00 0.00 WT1 H ATOM 20509 OH2 TIP3 6993 -2.238 0.051 0.171 1.00 0.00 WT1 O ATOM 20510 H1 TIP3 6993 -4.007 2.587 0.112 1.00 0.00 WT1 H ATOM 20511 H2 TIP3 6993 0.286 -9.322 -1.000 1.00 0.00 WT1 H ATOM 20512 OH2 TIP3 6994 4.561 -4.164 2.170 1.00 0.00 WT1 O ATOM 20513 H1 TIP3 6994 12.500 4.803 -4.540 1.00 0.00 WT1 H ATOM 20514 H2 TIP3 6994 2.582 -11.874 9.109 1.00 0.00 WT1 H ATOM 20515 OH2 TIP3 6995 -4.420 -5.438 0.405 1.00 0.00 WT1 O ATOM 20516 H1 TIP3 6995 -16.158 26.539 -1.726 1.00 0.00 WT1 H ATOM 20517 H2 TIP3 6995 11.013 -3.504 -17.895 1.00 0.00 WT1 H ATOM 20518 OH2 TIP3 6997 0.341 -4.086 -2.558 1.00 0.00 WT1 O ATOM 20519 H1 TIP3 6997 5.345 -15.353 0.336 1.00 0.00 WT1 H ATOM 20520 H2 TIP3 6997 -1.159 -11.351 -5.485 1.00 0.00 WT1 H ATOM 20521 OH2 TIP3 6998 2.978 0.200 3.507 1.00 0.00 WT1 O ATOM 20522 H1 TIP3 6998 -4.457 3.220 2.486 1.00 0.00 WT1 H ATOM 20523 H2 TIP3 6998 -0.288 5.071 7.707 1.00 0.00 WT1 H ATOM 20524 OH2 TIP3 6999 -1.186 -0.307 -1.411 1.00 0.00 WT1 O ATOM 20525 H1 TIP3 6999 1.819 -0.669 -3.927 1.00 0.00 WT1 H ATOM 20526 H2 TIP3 6999 7.313 8.962 -5.697 1.00 0.00 WT1 H ATOM 20527 OH2 TIP3 7000 5.112 -1.995 2.869 1.00 0.00 WT1 O ATOM 20528 H1 TIP3 7000 6.368 -1.932 4.519 1.00 0.00 WT1 H ATOM 20529 H2 TIP3 7000 6.430 -1.401 1.898 1.00 0.00 WT1 H ATOM 20530 OH2 TIP3 7001 5.437 -1.614 -3.865 1.00 0.00 WT1 O ATOM 20531 H1 TIP3 7001 2.180 -12.710 33.134 1.00 0.00 WT1 H ATOM 20532 H2 TIP3 7001 -9.731 4.461 -6.442 1.00 0.00 WT1 H ATOM 20533 OH2 TIP3 7002 5.372 -2.369 -0.948 1.00 0.00 WT1 O ATOM 20534 H1 TIP3 7002 3.656 -4.515 -7.911 1.00 0.00 WT1 H ATOM 20535 H2 TIP3 7002 -0.937 -5.911 -12.581 1.00 0.00 WT1 H ATOM 20536 OH2 TIP3 7003 1.758 -0.149 -1.202 1.00 0.00 WT1 O ATOM 20537 H1 TIP3 7003 -6.323 1.383 0.913 1.00 0.00 WT1 H ATOM 20538 H2 TIP3 7003 -13.632 -1.217 -16.976 1.00 0.00 WT1 H ATOM 20539 OH2 TIP3 7004 -1.424 -2.752 -3.531 1.00 0.00 WT1 O ATOM 20540 H1 TIP3 7004 -7.889 8.095 -1.382 1.00 0.00 WT1 H ATOM 20541 H2 TIP3 7004 2.703 4.470 17.256 1.00 0.00 WT1 H ATOM 20542 OH2 TIP3 7005 -7.842 5.184 0.965 1.00 0.00 WT1 O ATOM 20543 H1 TIP3 7005 -6.010 4.179 22.086 1.00 0.00 WT1 H ATOM 20544 H2 TIP3 7005 -24.058 -20.934 -9.142 1.00 0.00 WT1 H ATOM 20545 OH2 TIP3 7006 2.677 -1.711 5.401 1.00 0.00 WT1 O ATOM 20546 H1 TIP3 7006 -2.457 -12.620 -28.509 1.00 0.00 WT1 H ATOM 20547 H2 TIP3 7006 -7.308 30.239 -8.850 1.00 0.00 WT1 H ATOM 20548 OH2 TIP3 7007 -5.305 1.536 0.452 1.00 0.00 WT1 O ATOM 20549 H1 TIP3 7007 10.396 7.017 -15.360 1.00 0.00 WT1 H ATOM 20550 H2 TIP3 7007 -4.179 10.447 10.028 1.00 0.00 WT1 H ATOM 20551 OH2 TIP3 7008 2.030 -5.187 -1.854 1.00 0.00 WT1 O ATOM 20552 H1 TIP3 7008 1.349 4.950 -9.387 1.00 0.00 WT1 H ATOM 20553 H2 TIP3 7008 7.708 8.183 -5.838 1.00 0.00 WT1 H ATOM 20554 OH2 TIP3 7009 2.643 6.330 -1.233 1.00 0.00 WT1 O ATOM 20555 H1 TIP3 7009 -6.949 -5.559 13.887 1.00 0.00 WT1 H ATOM 20556 H2 TIP3 7009 -0.443 -12.336 -6.519 1.00 0.00 WT1 H ATOM 20557 OH2 TIP3 7010 4.062 4.620 2.086 1.00 0.00 WT1 O ATOM 20558 H1 TIP3 7010 -8.778 19.745 10.254 1.00 0.00 WT1 H ATOM 20559 H2 TIP3 7010 0.133 13.567 7.058 1.00 0.00 WT1 H ATOM 20560 OH2 TIP3 7011 8.806 -3.209 0.567 1.00 0.00 WT1 O ATOM 20561 H1 TIP3 7011 14.408 -2.892 -18.489 1.00 0.00 WT1 H ATOM 20562 H2 TIP3 7011 -8.108 -4.154 2.918 1.00 0.00 WT1 H ATOM 20563 OH2 TIP3 7012 6.231 1.622 2.385 1.00 0.00 WT1 O ATOM 20564 H1 TIP3 7012 -1.018 5.249 -25.178 1.00 0.00 WT1 H ATOM 20565 H2 TIP3 7012 -3.911 3.825 14.191 1.00 0.00 WT1 H ATOM 20566 OH2 TIP3 7013 -3.563 -0.034 -5.330 1.00 0.00 WT1 O ATOM 20567 H1 TIP3 7013 -2.770 -0.804 -4.072 1.00 0.00 WT1 H ATOM 20568 H2 TIP3 7013 1.439 -14.101 4.112 1.00 0.00 WT1 H ATOM 20569 OH2 TIP3 7014 -4.102 -1.237 2.192 1.00 0.00 WT1 O ATOM 20570 H1 TIP3 7014 5.803 -17.121 14.323 1.00 0.00 WT1 H ATOM 20571 H2 TIP3 7014 -8.474 7.015 -3.165 1.00 0.00 WT1 H ATOM 20572 OH2 TIP3 7015 -1.309 6.179 0.374 1.00 0.00 WT1 O ATOM 20573 H1 TIP3 7015 -11.442 11.435 -1.298 1.00 0.00 WT1 H ATOM 20574 H2 TIP3 7015 3.311 6.637 3.566 1.00 0.00 WT1 H ATOM 20575 OH2 TIP3 7016 4.741 4.366 -5.211 1.00 0.00 WT1 O ATOM 20576 H1 TIP3 7016 -3.901 -5.395 16.262 1.00 0.00 WT1 H ATOM 20577 H2 TIP3 7016 1.315 23.283 10.489 1.00 0.00 WT1 H ATOM 20578 OH2 TIP3 7017 -4.308 2.087 -4.755 1.00 0.00 WT1 O ATOM 20579 H1 TIP3 7017 -4.507 1.946 -4.219 1.00 0.00 WT1 H ATOM 20580 H2 TIP3 7017 0.614 7.911 -5.283 1.00 0.00 WT1 H ATOM 20581 OH2 TIP3 7018 0.780 3.215 0.006 1.00 0.00 WT1 O ATOM 20582 H1 TIP3 7018 1.557 14.880 1.781 1.00 0.00 WT1 H ATOM 20583 H2 TIP3 7018 -1.589 -24.500 11.583 1.00 0.00 WT1 H ATOM 20584 OH2 TIP3 7019 -2.557 -5.152 -2.460 1.00 0.00 WT1 O ATOM 20585 H1 TIP3 7019 -20.817 -1.647 -18.353 1.00 0.00 WT1 H ATOM 20586 H2 TIP3 7019 -4.889 -3.994 -7.851 1.00 0.00 WT1 H ATOM 20587 OH2 TIP3 7020 -1.349 -3.222 -0.066 1.00 0.00 WT1 O ATOM 20588 H1 TIP3 7020 -12.532 1.164 -15.499 1.00 0.00 WT1 H ATOM 20589 H2 TIP3 7020 -16.232 -3.249 -18.433 1.00 0.00 WT1 H ATOM 20590 OH2 TIP3 7021 -3.142 0.548 -2.255 1.00 0.00 WT1 O ATOM 20591 H1 TIP3 7021 -21.135 -7.010 12.165 1.00 0.00 WT1 H ATOM 20592 H2 TIP3 7021 3.393 8.015 -8.290 1.00 0.00 WT1 H ATOM 20593 OH2 TIP3 7023 2.120 -0.367 1.189 1.00 0.00 WT1 O ATOM 20594 H1 TIP3 7023 0.236 -14.284 6.572 1.00 0.00 WT1 H ATOM 20595 H2 TIP3 7023 10.099 12.020 2.113 1.00 0.00 WT1 H ATOM 20596 OH2 TIP3 7024 0.823 0.675 -0.062 1.00 0.00 WT1 O ATOM 20597 H1 TIP3 7024 -6.210 28.884 -6.851 1.00 0.00 WT1 H ATOM 20598 H2 TIP3 7024 -12.170 -13.154 -15.709 1.00 0.00 WT1 H ATOM 20599 OH2 TIP3 7025 0.630 2.195 -5.177 1.00 0.00 WT1 O ATOM 20600 H1 TIP3 7025 4.948 -16.418 -43.885 1.00 0.00 WT1 H ATOM 20601 H2 TIP3 7025 -27.623 -6.518 4.308 1.00 0.00 WT1 H ATOM 20602 OH2 TIP3 7026 4.546 4.660 1.855 1.00 0.00 WT1 O ATOM 20603 H1 TIP3 7026 -0.065 10.429 21.941 1.00 0.00 WT1 H ATOM 20604 H2 TIP3 7026 -12.517 -3.728 -6.525 1.00 0.00 WT1 H ATOM 20605 OH2 TIP3 7027 5.367 8.921 -5.114 1.00 0.00 WT1 O ATOM 20606 H1 TIP3 7027 3.071 4.659 -0.330 1.00 0.00 WT1 H ATOM 20607 H2 TIP3 7027 8.500 9.604 -4.405 1.00 0.00 WT1 H ATOM 20608 OH2 TIP3 7028 -0.996 1.897 -7.979 1.00 0.00 WT1 O ATOM 20609 H1 TIP3 7028 11.483 1.826 37.635 1.00 0.00 WT1 H ATOM 20610 H2 TIP3 7028 20.062 11.988 -30.690 1.00 0.00 WT1 H ATOM 20611 OH2 TIP3 7029 0.835 4.259 3.443 1.00 0.00 WT1 O ATOM 20612 H1 TIP3 7029 -3.111 8.426 7.518 1.00 0.00 WT1 H ATOM 20613 H2 TIP3 7029 -11.837 -5.269 14.421 1.00 0.00 WT1 H ATOM 20614 OH2 TIP3 7030 0.929 6.609 -3.672 1.00 0.00 WT1 O ATOM 20615 H1 TIP3 7030 14.408 32.730 8.011 1.00 0.00 WT1 H ATOM 20616 H2 TIP3 7030 21.441 20.268 0.182 1.00 0.00 WT1 H ATOM 20617 OH2 TIP3 7031 -3.381 -0.323 -1.424 1.00 0.00 WT1 O ATOM 20618 H1 TIP3 7031 -9.045 -19.532 -23.146 1.00 0.00 WT1 H ATOM 20619 H2 TIP3 7031 24.240 -23.006 14.873 1.00 0.00 WT1 H ATOM 20620 OH2 TIP3 7033 -5.876 3.990 4.485 1.00 0.00 WT1 O ATOM 20621 H1 TIP3 7033 -3.750 1.566 -1.638 1.00 0.00 WT1 H ATOM 20622 H2 TIP3 7033 7.238 11.650 -14.150 1.00 0.00 WT1 H ATOM 20623 OH2 TIP3 7034 -1.169 2.939 6.364 1.00 0.00 WT1 O ATOM 20624 H1 TIP3 7034 -15.672 1.444 -2.482 1.00 0.00 WT1 H ATOM 20625 H2 TIP3 7034 6.617 -5.187 14.447 1.00 0.00 WT1 H ATOM 20626 OH2 TIP3 7036 -0.438 3.406 -5.051 1.00 0.00 WT1 O ATOM 20627 H1 TIP3 7036 -5.341 1.692 -6.885 1.00 0.00 WT1 H ATOM 20628 H2 TIP3 7036 9.563 13.940 -2.509 1.00 0.00 WT1 H ATOM 20629 OH2 TIP3 7037 -0.918 -2.580 2.342 1.00 0.00 WT1 O ATOM 20630 H1 TIP3 7037 4.372 0.772 9.564 1.00 0.00 WT1 H ATOM 20631 H2 TIP3 7037 -4.277 -3.215 0.457 1.00 0.00 WT1 H ATOM 20632 OH2 TIP3 7038 3.719 0.913 -0.525 1.00 0.00 WT1 O ATOM 20633 H1 TIP3 7038 11.254 4.508 -14.520 1.00 0.00 WT1 H ATOM 20634 H2 TIP3 7038 13.571 -11.614 11.211 1.00 0.00 WT1 H ATOM 20635 OH2 TIP3 7039 1.998 3.795 1.915 1.00 0.00 WT1 O ATOM 20636 H1 TIP3 7039 2.561 20.092 3.815 1.00 0.00 WT1 H ATOM 20637 H2 TIP3 7039 -5.074 3.394 6.400 1.00 0.00 WT1 H ATOM 20638 OH2 TIP3 7040 0.005 -1.909 -2.447 1.00 0.00 WT1 O ATOM 20639 H1 TIP3 7040 2.409 -4.139 -12.598 1.00 0.00 WT1 H ATOM 20640 H2 TIP3 7040 -4.885 -9.856 -19.562 1.00 0.00 WT1 H ATOM 20641 OH2 TIP3 7041 -2.639 -4.913 -3.331 1.00 0.00 WT1 O ATOM 20642 H1 TIP3 7041 -9.040 -7.509 -5.479 1.00 0.00 WT1 H ATOM 20643 H2 TIP3 7041 -4.779 -1.405 4.826 1.00 0.00 WT1 H ATOM 20644 OH2 TIP3 7042 4.762 -0.914 -4.597 1.00 0.00 WT1 O ATOM 20645 H1 TIP3 7042 0.311 2.038 -8.327 1.00 0.00 WT1 H ATOM 20646 H2 TIP3 7042 4.594 -0.066 -8.328 1.00 0.00 WT1 H ATOM 20647 OH2 TIP3 7043 -0.110 5.548 -1.172 1.00 0.00 WT1 O ATOM 20648 H1 TIP3 7043 6.061 23.456 8.137 1.00 0.00 WT1 H ATOM 20649 H2 TIP3 7043 25.399 -25.964 -16.424 1.00 0.00 WT1 H ATOM 20650 OH2 TIP3 7044 -0.104 0.030 -2.977 1.00 0.00 WT1 O ATOM 20651 H1 TIP3 7044 -7.030 2.272 -5.011 1.00 0.00 WT1 H ATOM 20652 H2 TIP3 7044 -4.388 -9.531 -5.482 1.00 0.00 WT1 H ATOM 20653 OH2 TIP3 7045 -9.532 -2.244 -6.224 1.00 0.00 WT1 O ATOM 20654 H1 TIP3 7045 6.613 -18.784 -4.787 1.00 0.00 WT1 H ATOM 20655 H2 TIP3 7045 -14.484 -3.689 -9.415 1.00 0.00 WT1 H ATOM 20656 OH2 TIP3 7046 1.259 -3.587 -3.125 1.00 0.00 WT1 O ATOM 20657 H1 TIP3 7046 22.222 13.043 -0.386 1.00 0.00 WT1 H ATOM 20658 H2 TIP3 7046 13.017 21.446 -10.085 1.00 0.00 WT1 H ATOM 20659 OH2 TIP3 7047 1.391 -5.746 4.520 1.00 0.00 WT1 O ATOM 20660 H1 TIP3 7047 -18.801 -1.616 9.650 1.00 0.00 WT1 H ATOM 20661 H2 TIP3 7047 22.964 -8.692 0.918 1.00 0.00 WT1 H ATOM 20662 OH2 TIP3 7048 4.274 -1.455 6.396 1.00 0.00 WT1 O ATOM 20663 H1 TIP3 7048 10.894 8.747 -0.032 1.00 0.00 WT1 H ATOM 20664 H2 TIP3 7048 21.751 38.740 -18.614 1.00 0.00 WT1 H ATOM 20665 OH2 TIP3 7049 2.101 -3.321 -3.661 1.00 0.00 WT1 O ATOM 20666 H1 TIP3 7049 2.716 1.935 -13.965 1.00 0.00 WT1 H ATOM 20667 H2 TIP3 7049 2.070 4.443 -17.477 1.00 0.00 WT1 H ATOM 20668 OH2 TIP3 7050 0.789 8.927 -1.381 1.00 0.00 WT1 O ATOM 20669 H1 TIP3 7050 -7.786 -8.057 0.355 1.00 0.00 WT1 H ATOM 20670 H2 TIP3 7050 20.366 8.158 12.120 1.00 0.00 WT1 H ATOM 20671 OH2 TIP3 7051 -2.164 0.497 3.706 1.00 0.00 WT1 O ATOM 20672 H1 TIP3 7051 1.546 -4.297 13.106 1.00 0.00 WT1 H ATOM 20673 H2 TIP3 7051 -7.383 9.202 7.559 1.00 0.00 WT1 H ATOM 20674 OH2 TIP3 7053 -1.179 4.601 -1.549 1.00 0.00 WT1 O ATOM 20675 H1 TIP3 7053 11.261 4.440 9.043 1.00 0.00 WT1 H ATOM 20676 H2 TIP3 7053 -13.818 3.737 -9.781 1.00 0.00 WT1 H ATOM 20677 OH2 TIP3 7054 0.901 -5.123 -4.964 1.00 0.00 WT1 O ATOM 20678 H1 TIP3 7054 7.352 -6.746 -19.113 1.00 0.00 WT1 H ATOM 20679 H2 TIP3 7054 -0.517 -6.343 -5.151 1.00 0.00 WT1 H ATOM 20680 OH2 TIP3 7055 -1.544 0.047 2.843 1.00 0.00 WT1 O ATOM 20681 H1 TIP3 7055 4.936 -4.797 -12.353 1.00 0.00 WT1 H ATOM 20682 H2 TIP3 7055 6.365 1.414 -5.748 1.00 0.00 WT1 H ATOM 20683 OH2 TIP3 7056 -2.338 6.268 -0.215 1.00 0.00 WT1 O ATOM 20684 H1 TIP3 7056 2.608 13.792 17.343 1.00 0.00 WT1 H ATOM 20685 H2 TIP3 7056 -8.947 2.377 -3.163 1.00 0.00 WT1 H ATOM 20686 OH2 TIP3 7057 -3.355 1.853 0.822 1.00 0.00 WT1 O ATOM 20687 H1 TIP3 7057 4.806 3.517 -1.906 1.00 0.00 WT1 H ATOM 20688 H2 TIP3 7057 -2.417 -4.542 -7.324 1.00 0.00 WT1 H ATOM 20689 OH2 TIP3 7058 -4.304 -0.864 -3.399 1.00 0.00 WT1 O ATOM 20690 H1 TIP3 7058 -4.717 1.540 -1.900 1.00 0.00 WT1 H ATOM 20691 H2 TIP3 7058 13.345 9.433 13.149 1.00 0.00 WT1 H ATOM 20692 OH2 TIP3 7059 6.281 6.804 -2.139 1.00 0.00 WT1 O ATOM 20693 H1 TIP3 7059 -0.814 -10.715 -10.895 1.00 0.00 WT1 H ATOM 20694 H2 TIP3 7059 28.134 9.491 -3.002 1.00 0.00 WT1 H ATOM 20695 OH2 TIP3 7060 -0.786 1.953 -1.515 1.00 0.00 WT1 O ATOM 20696 H1 TIP3 7060 9.431 4.829 -10.025 1.00 0.00 WT1 H ATOM 20697 H2 TIP3 7060 -3.664 -7.373 -9.967 1.00 0.00 WT1 H ATOM 20698 OH2 TIP3 7061 2.482 -0.986 -3.531 1.00 0.00 WT1 O ATOM 20699 H1 TIP3 7061 -3.588 -9.073 3.871 1.00 0.00 WT1 H ATOM 20700 H2 TIP3 7061 -8.987 -7.200 16.007 1.00 0.00 WT1 H ATOM 20701 OH2 TIP3 7062 0.437 -3.117 4.119 1.00 0.00 WT1 O ATOM 20702 H1 TIP3 7062 -7.541 -14.555 4.926 1.00 0.00 WT1 H ATOM 20703 H2 TIP3 7062 12.781 2.137 9.668 1.00 0.00 WT1 H ATOM 20704 OH2 TIP3 7063 5.142 0.363 -3.389 1.00 0.00 WT1 O ATOM 20705 H1 TIP3 7063 2.095 -16.671 -10.420 1.00 0.00 WT1 H ATOM 20706 H2 TIP3 7063 -7.736 3.600 8.798 1.00 0.00 WT1 H ATOM 20707 OH2 TIP3 7064 1.315 -5.858 -1.409 1.00 0.00 WT1 O ATOM 20708 H1 TIP3 7064 5.191 18.296 31.443 1.00 0.00 WT1 H ATOM 20709 H2 TIP3 7064 16.432 -16.043 -4.590 1.00 0.00 WT1 H ATOM 20710 OH2 TIP3 7065 3.048 1.055 3.832 1.00 0.00 WT1 O ATOM 20711 H1 TIP3 7065 0.100 1.933 3.143 1.00 0.00 WT1 H ATOM 20712 H2 TIP3 7065 0.571 -7.357 5.294 1.00 0.00 WT1 H ATOM 20713 OH2 TIP3 7066 2.763 0.111 6.054 1.00 0.00 WT1 O ATOM 20714 H1 TIP3 7066 17.185 -9.509 -12.407 1.00 0.00 WT1 H ATOM 20715 H2 TIP3 7066 -4.346 35.993 16.427 1.00 0.00 WT1 H ATOM 20716 OH2 TIP3 7067 7.751 -3.029 3.680 1.00 0.00 WT1 O ATOM 20717 H1 TIP3 7067 7.097 -6.635 4.706 1.00 0.00 WT1 H ATOM 20718 H2 TIP3 7067 1.425 -14.180 0.509 1.00 0.00 WT1 H ATOM 20719 OH2 TIP3 7068 -4.076 0.760 -2.542 1.00 0.00 WT1 O ATOM 20720 H1 TIP3 7068 0.065 3.194 0.092 1.00 0.00 WT1 H ATOM 20721 H2 TIP3 7068 -9.323 5.578 -3.312 1.00 0.00 WT1 H ATOM 20722 OH2 TIP3 7069 -1.475 -9.093 0.953 1.00 0.00 WT1 O ATOM 20723 H1 TIP3 7069 -0.364 -17.881 5.006 1.00 0.00 WT1 H ATOM 20724 H2 TIP3 7069 -9.502 -3.470 -0.485 1.00 0.00 WT1 H ATOM 20725 OH2 TIP3 7071 -3.480 6.592 -2.813 1.00 0.00 WT1 O ATOM 20726 H1 TIP3 7071 -4.945 -0.721 5.138 1.00 0.00 WT1 H ATOM 20727 H2 TIP3 7071 -5.012 -0.510 0.529 1.00 0.00 WT1 H ATOM 20728 OH2 TIP3 7072 -0.770 2.929 -0.796 1.00 0.00 WT1 O ATOM 20729 H1 TIP3 7072 5.612 -11.433 2.409 1.00 0.00 WT1 H ATOM 20730 H2 TIP3 7072 -7.770 -0.400 3.889 1.00 0.00 WT1 H ATOM 20731 OH2 TIP3 7073 -2.517 -0.866 -3.297 1.00 0.00 WT1 O ATOM 20732 H1 TIP3 7073 -19.076 -0.092 -7.161 1.00 0.00 WT1 H ATOM 20733 H2 TIP3 7073 10.145 12.564 -24.260 1.00 0.00 WT1 H ATOM 20734 OH2 TIP3 7074 0.978 2.791 -1.640 1.00 0.00 WT1 O ATOM 20735 H1 TIP3 7074 6.945 3.625 2.356 1.00 0.00 WT1 H ATOM 20736 H2 TIP3 7074 -4.155 4.811 -8.881 1.00 0.00 WT1 H ATOM 20737 OH2 TIP3 7075 0.610 -3.148 1.254 1.00 0.00 WT1 O ATOM 20738 H1 TIP3 7075 6.253 2.416 -1.516 1.00 0.00 WT1 H ATOM 20739 H2 TIP3 7075 0.526 -3.571 0.991 1.00 0.00 WT1 H ATOM 20740 OH2 TIP3 7076 -4.457 -8.609 -1.942 1.00 0.00 WT1 O ATOM 20741 H1 TIP3 7076 -10.944 -9.629 8.724 1.00 0.00 WT1 H ATOM 20742 H2 TIP3 7076 -6.396 -8.831 2.166 1.00 0.00 WT1 H ATOM 20743 OH2 TIP3 7077 7.162 -3.948 6.877 1.00 0.00 WT1 O ATOM 20744 H1 TIP3 7077 6.964 11.619 23.812 1.00 0.00 WT1 H ATOM 20745 H2 TIP3 7077 -5.260 -22.436 19.998 1.00 0.00 WT1 H ATOM 20746 OH2 TIP3 7078 -2.624 -3.804 -2.223 1.00 0.00 WT1 O ATOM 20747 H1 TIP3 7078 4.854 11.055 2.335 1.00 0.00 WT1 H ATOM 20748 H2 TIP3 7078 -0.854 -8.829 16.548 1.00 0.00 WT1 H ATOM 20749 OH2 TIP3 7079 -8.379 -4.398 -2.544 1.00 0.00 WT1 O ATOM 20750 H1 TIP3 7079 0.954 -7.323 -11.968 1.00 0.00 WT1 H ATOM 20751 H2 TIP3 7079 -9.293 -20.775 4.528 1.00 0.00 WT1 H ATOM 20752 OH2 TIP3 7080 -0.285 -0.802 0.737 1.00 0.00 WT1 O ATOM 20753 H1 TIP3 7080 9.831 -12.568 2.571 1.00 0.00 WT1 H ATOM 20754 H2 TIP3 7080 7.482 -0.223 -5.627 1.00 0.00 WT1 H ATOM 20755 OH2 TIP3 7081 -2.566 4.909 -3.049 1.00 0.00 WT1 O ATOM 20756 H1 TIP3 7081 -7.330 10.661 -9.864 1.00 0.00 WT1 H ATOM 20757 H2 TIP3 7081 -7.059 6.928 3.061 1.00 0.00 WT1 H ATOM 20758 OH2 TIP3 7082 4.164 -1.362 -2.912 1.00 0.00 WT1 O ATOM 20759 H1 TIP3 7082 0.993 -27.388 2.451 1.00 0.00 WT1 H ATOM 20760 H2 TIP3 7082 -10.140 -1.247 -14.603 1.00 0.00 WT1 H ATOM 20761 OH2 TIP3 7083 -0.216 -2.300 1.058 1.00 0.00 WT1 O ATOM 20762 H1 TIP3 7083 -1.875 19.256 18.865 1.00 0.00 WT1 H ATOM 20763 H2 TIP3 7083 13.552 15.496 -32.513 1.00 0.00 WT1 H ATOM 20764 OH2 TIP3 7085 3.673 -6.870 -3.205 1.00 0.00 WT1 O ATOM 20765 H1 TIP3 7085 -9.641 -2.002 -7.630 1.00 0.00 WT1 H ATOM 20766 H2 TIP3 7085 5.023 -19.171 -10.408 1.00 0.00 WT1 H ATOM 20767 OH2 TIP3 7086 -5.042 0.462 -9.401 1.00 0.00 WT1 O ATOM 20768 H1 TIP3 7086 13.112 -7.969 24.648 1.00 0.00 WT1 H ATOM 20769 H2 TIP3 7086 0.832 24.943 -7.780 1.00 0.00 WT1 H ATOM 20770 OH2 TIP3 7088 -0.322 1.363 -0.996 1.00 0.00 WT1 O ATOM 20771 H1 TIP3 7088 10.708 0.826 19.856 1.00 0.00 WT1 H ATOM 20772 H2 TIP3 7088 -1.533 11.473 -14.728 1.00 0.00 WT1 H ATOM 20773 OH2 TIP3 7089 -2.958 -1.640 -0.351 1.00 0.00 WT1 O ATOM 20774 H1 TIP3 7089 6.879 -3.229 -7.641 1.00 0.00 WT1 H ATOM 20775 H2 TIP3 7089 -2.875 -2.597 9.166 1.00 0.00 WT1 H ATOM 20776 OH2 TIP3 7090 3.529 -3.243 -1.165 1.00 0.00 WT1 O ATOM 20777 H1 TIP3 7090 0.938 -8.800 -6.355 1.00 0.00 WT1 H ATOM 20778 H2 TIP3 7090 6.963 -3.090 -1.235 1.00 0.00 WT1 H ATOM 20779 OH2 TIP3 7091 -0.170 -5.995 0.620 1.00 0.00 WT1 O ATOM 20780 H1 TIP3 7091 -6.379 -0.995 7.784 1.00 0.00 WT1 H ATOM 20781 H2 TIP3 7091 0.277 -6.089 0.160 1.00 0.00 WT1 H ATOM 20782 OH2 TIP3 7092 1.895 -2.391 5.415 1.00 0.00 WT1 O ATOM 20783 H1 TIP3 7092 3.466 -13.523 5.715 1.00 0.00 WT1 H ATOM 20784 H2 TIP3 7092 0.261 8.692 8.295 1.00 0.00 WT1 H ATOM 20785 OH2 TIP3 7093 4.606 0.483 5.307 1.00 0.00 WT1 O ATOM 20786 H1 TIP3 7093 -0.943 -1.118 9.508 1.00 0.00 WT1 H ATOM 20787 H2 TIP3 7093 -11.266 -17.845 -12.054 1.00 0.00 WT1 H ATOM 20788 OH2 TIP3 7094 -0.968 3.599 -3.153 1.00 0.00 WT1 O ATOM 20789 H1 TIP3 7094 3.980 4.562 -6.895 1.00 0.00 WT1 H ATOM 20790 H2 TIP3 7094 1.120 25.315 -13.468 1.00 0.00 WT1 H ATOM 20791 OH2 TIP3 7095 1.946 4.477 -1.291 1.00 0.00 WT1 O ATOM 20792 H1 TIP3 7095 -3.956 12.707 3.383 1.00 0.00 WT1 H ATOM 20793 H2 TIP3 7095 6.436 -2.550 -4.614 1.00 0.00 WT1 H ATOM 20794 OH2 TIP3 7096 -1.697 -3.691 1.982 1.00 0.00 WT1 O ATOM 20795 H1 TIP3 7096 6.023 -3.359 7.265 1.00 0.00 WT1 H ATOM 20796 H2 TIP3 7096 -5.780 -5.017 -0.686 1.00 0.00 WT1 H ATOM 20797 OH2 TIP3 7097 -0.973 -2.921 -7.659 1.00 0.00 WT1 O ATOM 20798 H1 TIP3 7097 -1.071 -1.019 -10.415 1.00 0.00 WT1 H ATOM 20799 H2 TIP3 7097 -2.999 -5.383 -5.392 1.00 0.00 WT1 H ATOM 20800 OH2 TIP3 7098 3.202 -1.943 3.384 1.00 0.00 WT1 O ATOM 20801 H1 TIP3 7098 9.105 7.946 18.896 1.00 0.00 WT1 H ATOM 20802 H2 TIP3 7098 -10.942 -6.988 5.927 1.00 0.00 WT1 H ATOM 20803 OH2 TIP3 7099 1.331 -0.422 2.422 1.00 0.00 WT1 O ATOM 20804 H1 TIP3 7099 1.001 0.440 3.681 1.00 0.00 WT1 H ATOM 20805 H2 TIP3 7099 2.790 0.503 5.011 1.00 0.00 WT1 H ATOM 20806 OH2 TIP3 7101 1.529 -2.587 2.238 1.00 0.00 WT1 O ATOM 20807 H1 TIP3 7101 5.487 -8.015 10.240 1.00 0.00 WT1 H ATOM 20808 H2 TIP3 7101 -3.589 -7.756 12.776 1.00 0.00 WT1 H ATOM 20809 OH2 TIP3 7102 -6.551 -5.315 -5.316 1.00 0.00 WT1 O ATOM 20810 H1 TIP3 7102 14.606 3.212 -21.996 1.00 0.00 WT1 H ATOM 20811 H2 TIP3 7102 3.120 4.983 -13.985 1.00 0.00 WT1 H ATOM 20812 OH2 TIP3 7103 0.432 0.173 -3.443 1.00 0.00 WT1 O ATOM 20813 H1 TIP3 7103 2.671 15.560 2.100 1.00 0.00 WT1 H ATOM 20814 H2 TIP3 7103 1.517 21.205 -8.848 1.00 0.00 WT1 H ATOM 20815 OH2 TIP3 7104 1.179 -6.667 2.584 1.00 0.00 WT1 O ATOM 20816 H1 TIP3 7104 -1.004 -16.327 16.030 1.00 0.00 WT1 H ATOM 20817 H2 TIP3 7104 1.726 0.523 9.548 1.00 0.00 WT1 H ATOM 20818 OH2 TIP3 7105 3.703 -5.229 2.855 1.00 0.00 WT1 O ATOM 20819 H1 TIP3 7105 5.634 -0.091 -5.924 1.00 0.00 WT1 H ATOM 20820 H2 TIP3 7105 -1.031 -9.776 3.747 1.00 0.00 WT1 H ATOM 20821 OH2 TIP3 7106 -0.209 6.495 -4.325 1.00 0.00 WT1 O ATOM 20822 H1 TIP3 7106 -6.191 -9.573 -3.236 1.00 0.00 WT1 H ATOM 20823 H2 TIP3 7106 -16.326 8.812 9.046 1.00 0.00 WT1 H ATOM 20824 OH2 TIP3 7107 -0.948 -0.142 5.908 1.00 0.00 WT1 O ATOM 20825 H1 TIP3 7107 -15.756 6.904 -0.797 1.00 0.00 WT1 H ATOM 20826 H2 TIP3 7107 5.827 -17.769 2.251 1.00 0.00 WT1 H ATOM 20827 OH2 TIP3 7108 1.834 0.867 -1.963 1.00 0.00 WT1 O ATOM 20828 H1 TIP3 7108 2.880 2.304 -2.752 1.00 0.00 WT1 H ATOM 20829 H2 TIP3 7108 8.535 9.667 2.770 1.00 0.00 WT1 H ATOM 20830 OH2 TIP3 7109 3.116 4.889 -5.085 1.00 0.00 WT1 O ATOM 20831 H1 TIP3 7109 5.440 5.147 -2.068 1.00 0.00 WT1 H ATOM 20832 H2 TIP3 7109 2.537 -8.269 9.000 1.00 0.00 WT1 H ATOM 20833 OH2 TIP3 7110 3.553 1.977 2.824 1.00 0.00 WT1 O ATOM 20834 H1 TIP3 7110 7.871 -0.675 -5.313 1.00 0.00 WT1 H ATOM 20835 H2 TIP3 7110 7.128 3.197 -9.290 1.00 0.00 WT1 H ATOM 20836 OH2 TIP3 7111 8.897 1.210 4.538 1.00 0.00 WT1 O ATOM 20837 H1 TIP3 7111 9.695 -0.219 -9.379 1.00 0.00 WT1 H ATOM 20838 H2 TIP3 7111 -2.785 6.538 6.830 1.00 0.00 WT1 H ATOM 20839 OH2 TIP3 7113 2.644 2.889 -4.842 1.00 0.00 WT1 O ATOM 20840 H1 TIP3 7113 2.015 0.354 -5.965 1.00 0.00 WT1 H ATOM 20841 H2 TIP3 7113 3.013 -2.210 -1.941 1.00 0.00 WT1 H ATOM 20842 OH2 TIP3 7114 0.216 1.049 -0.588 1.00 0.00 WT1 O ATOM 20843 H1 TIP3 7114 -1.392 3.861 -0.964 1.00 0.00 WT1 H ATOM 20844 H2 TIP3 7114 0.643 8.640 -5.628 1.00 0.00 WT1 H ATOM 20845 OH2 TIP3 7115 -2.101 -1.521 5.510 1.00 0.00 WT1 O ATOM 20846 H1 TIP3 7115 -0.341 -14.727 3.816 1.00 0.00 WT1 H ATOM 20847 H2 TIP3 7115 4.407 0.838 7.537 1.00 0.00 WT1 H ATOM 20848 OH2 TIP3 7116 -8.131 -5.350 -0.525 1.00 0.00 WT1 O ATOM 20849 H1 TIP3 7116 -12.782 9.255 1.164 1.00 0.00 WT1 H ATOM 20850 H2 TIP3 7116 -0.107 -0.408 9.079 1.00 0.00 WT1 H ATOM 20851 OH2 TIP3 7117 2.911 0.961 -1.649 1.00 0.00 WT1 O ATOM 20852 H1 TIP3 7117 -3.383 -10.866 -4.542 1.00 0.00 WT1 H ATOM 20853 H2 TIP3 7117 2.576 6.704 1.844 1.00 0.00 WT1 H ATOM 20854 OH2 TIP3 7118 4.194 -2.702 -0.663 1.00 0.00 WT1 O ATOM 20855 H1 TIP3 7118 -0.258 11.525 3.119 1.00 0.00 WT1 H ATOM 20856 H2 TIP3 7118 -9.517 21.357 -8.243 1.00 0.00 WT1 H ATOM 20857 OH2 TIP3 7119 0.950 4.074 2.891 1.00 0.00 WT1 O ATOM 20858 H1 TIP3 7119 0.030 18.120 10.356 1.00 0.00 WT1 H ATOM 20859 H2 TIP3 7119 1.910 33.072 15.526 1.00 0.00 WT1 H ATOM 20860 OH2 TIP3 7120 -0.301 -0.136 3.918 1.00 0.00 WT1 O ATOM 20861 H1 TIP3 7120 15.563 -17.050 6.181 1.00 0.00 WT1 H ATOM 20862 H2 TIP3 7120 -7.977 19.245 13.278 1.00 0.00 WT1 H ATOM 20863 OH2 TIP3 7121 -6.487 0.482 -5.077 1.00 0.00 WT1 O ATOM 20864 H1 TIP3 7121 0.571 -23.049 -14.994 1.00 0.00 WT1 H ATOM 20865 H2 TIP3 7121 10.850 11.729 11.550 1.00 0.00 WT1 H ATOM 20866 OH2 TIP3 7122 -3.493 0.054 -3.005 1.00 0.00 WT1 O ATOM 20867 H1 TIP3 7122 -17.249 23.863 18.602 1.00 0.00 WT1 H ATOM 20868 H2 TIP3 7122 -24.470 -2.087 -31.073 1.00 0.00 WT1 H ATOM 20869 OH2 TIP3 7123 -0.484 -5.546 2.029 1.00 0.00 WT1 O ATOM 20870 H1 TIP3 7123 -2.735 -8.495 6.912 1.00 0.00 WT1 H ATOM 20871 H2 TIP3 7123 -3.196 -15.293 11.525 1.00 0.00 WT1 H ATOM 20872 OH2 TIP3 7124 -4.168 -5.803 0.582 1.00 0.00 WT1 O ATOM 20873 H1 TIP3 7124 4.357 -2.886 5.608 1.00 0.00 WT1 H ATOM 20874 H2 TIP3 7124 -7.115 9.578 0.260 1.00 0.00 WT1 H ATOM 20875 OH2 TIP3 7125 1.320 3.026 0.079 1.00 0.00 WT1 O ATOM 20876 H1 TIP3 7125 -2.312 -6.147 -22.172 1.00 0.00 WT1 H ATOM 20877 H2 TIP3 7125 -10.861 0.415 37.209 1.00 0.00 WT1 H ATOM 20878 OH2 TIP3 7126 -1.633 2.733 -0.383 1.00 0.00 WT1 O ATOM 20879 H1 TIP3 7126 -13.275 32.950 4.820 1.00 0.00 WT1 H ATOM 20880 H2 TIP3 7126 -7.865 20.413 13.386 1.00 0.00 WT1 H ATOM 20881 OH2 TIP3 7127 -1.293 -1.234 5.439 1.00 0.00 WT1 O ATOM 20882 H1 TIP3 7127 2.889 16.400 -35.360 1.00 0.00 WT1 H ATOM 20883 H2 TIP3 7127 -25.661 -4.996 17.311 1.00 0.00 WT1 H ATOM 20884 OH2 TIP3 7128 0.146 4.795 0.404 1.00 0.00 WT1 O ATOM 20885 H1 TIP3 7128 -0.864 4.439 0.622 1.00 0.00 WT1 H ATOM 20886 H2 TIP3 7128 -7.573 6.338 -10.283 1.00 0.00 WT1 H ATOM 20887 OH2 TIP3 7129 2.097 0.362 -4.307 1.00 0.00 WT1 O ATOM 20888 H1 TIP3 7129 20.513 6.992 -8.726 1.00 0.00 WT1 H ATOM 20889 H2 TIP3 7129 -10.403 -7.254 -0.120 1.00 0.00 WT1 H ATOM 20890 OH2 TIP3 7130 -3.532 -0.164 4.715 1.00 0.00 WT1 O ATOM 20891 H1 TIP3 7130 -1.797 -0.108 4.504 1.00 0.00 WT1 H ATOM 20892 H2 TIP3 7130 -24.580 11.777 -3.875 1.00 0.00 WT1 H ATOM 20893 OH2 TIP3 7131 -0.540 5.059 -0.910 1.00 0.00 WT1 O ATOM 20894 H1 TIP3 7131 38.540 -7.188 17.094 1.00 0.00 WT1 H ATOM 20895 H2 TIP3 7131 -13.447 18.262 26.176 1.00 0.00 WT1 H ATOM 20896 OH2 TIP3 7132 -2.122 5.148 6.046 1.00 0.00 WT1 O ATOM 20897 H1 TIP3 7132 7.704 -0.633 2.883 1.00 0.00 WT1 H ATOM 20898 H2 TIP3 7132 -3.436 3.242 14.685 1.00 0.00 WT1 H ATOM 20899 OH2 TIP3 7133 1.509 -2.761 5.133 1.00 0.00 WT1 O ATOM 20900 H1 TIP3 7133 12.014 0.240 -1.302 1.00 0.00 WT1 H ATOM 20901 H2 TIP3 7133 -18.036 -4.246 11.067 1.00 0.00 WT1 H ATOM 20902 OH2 TIP3 7134 2.535 -0.596 1.055 1.00 0.00 WT1 O ATOM 20903 H1 TIP3 7134 -21.813 -1.410 6.228 1.00 0.00 WT1 H ATOM 20904 H2 TIP3 7134 7.277 22.877 -3.163 1.00 0.00 WT1 H ATOM 20905 OH2 TIP3 7135 -1.163 2.983 1.609 1.00 0.00 WT1 O ATOM 20906 H1 TIP3 7135 5.533 -2.959 5.552 1.00 0.00 WT1 H ATOM 20907 H2 TIP3 7135 8.861 -13.968 4.537 1.00 0.00 WT1 H ATOM 20908 OH2 TIP3 7136 -0.432 -1.045 -2.152 1.00 0.00 WT1 O ATOM 20909 H1 TIP3 7136 -13.834 28.434 -0.277 1.00 0.00 WT1 H ATOM 20910 H2 TIP3 7136 2.131 -9.070 -11.242 1.00 0.00 WT1 H ATOM 20911 OH2 TIP3 7137 0.164 3.328 5.701 1.00 0.00 WT1 O ATOM 20912 H1 TIP3 7137 20.268 19.340 18.027 1.00 0.00 WT1 H ATOM 20913 H2 TIP3 7137 -10.257 -27.860 1.883 1.00 0.00 WT1 H ATOM 20914 OH2 TIP3 7138 -2.837 -2.106 -6.006 1.00 0.00 WT1 O ATOM 20915 H1 TIP3 7138 12.617 -16.226 -2.162 1.00 0.00 WT1 H ATOM 20916 H2 TIP3 7138 -10.096 -0.705 -4.199 1.00 0.00 WT1 H ATOM 20917 OH2 TIP3 7139 -0.336 -4.334 -0.573 1.00 0.00 WT1 O ATOM 20918 H1 TIP3 7139 13.220 -8.659 -0.612 1.00 0.00 WT1 H ATOM 20919 H2 TIP3 7139 -5.496 1.886 -13.932 1.00 0.00 WT1 H ATOM 20920 OH2 TIP3 7140 0.108 2.073 0.005 1.00 0.00 WT1 O ATOM 20921 H1 TIP3 7140 3.908 10.670 1.275 1.00 0.00 WT1 H ATOM 20922 H2 TIP3 7140 7.135 -25.757 13.170 1.00 0.00 WT1 H ATOM 20923 OH2 TIP3 7141 -5.085 1.178 2.100 1.00 0.00 WT1 O ATOM 20924 H1 TIP3 7141 5.275 -6.669 -9.172 1.00 0.00 WT1 H ATOM 20925 H2 TIP3 7141 -8.685 -1.309 13.865 1.00 0.00 WT1 H ATOM 20926 OH2 TIP3 7142 -4.225 -2.477 4.230 1.00 0.00 WT1 O ATOM 20927 H1 TIP3 7142 -3.768 5.969 24.927 1.00 0.00 WT1 H ATOM 20928 H2 TIP3 7142 -16.299 1.760 21.356 1.00 0.00 WT1 H ATOM 20929 OH2 TIP3 7143 -0.775 -0.640 -8.127 1.00 0.00 WT1 O ATOM 20930 H1 TIP3 7143 -14.790 -6.466 1.022 1.00 0.00 WT1 H ATOM 20931 H2 TIP3 7143 -2.551 -0.682 -6.305 1.00 0.00 WT1 H ATOM 20932 OH2 TIP3 7144 -3.559 3.399 3.978 1.00 0.00 WT1 O ATOM 20933 H1 TIP3 7144 -1.538 3.727 11.629 1.00 0.00 WT1 H ATOM 20934 H2 TIP3 7144 2.155 1.575 -0.156 1.00 0.00 WT1 H ATOM 20935 OH2 TIP3 7145 3.832 -1.339 -2.200 1.00 0.00 WT1 O ATOM 20936 H1 TIP3 7145 0.652 2.058 18.021 1.00 0.00 WT1 H ATOM 20937 H2 TIP3 7145 -5.316 -10.414 -0.020 1.00 0.00 WT1 H ATOM 20938 OH2 TIP3 7146 2.347 -2.014 10.331 1.00 0.00 WT1 O ATOM 20939 H1 TIP3 7146 -11.333 -19.250 2.479 1.00 0.00 WT1 H ATOM 20940 H2 TIP3 7146 17.667 2.449 -36.790 1.00 0.00 WT1 H ATOM 20941 OH2 TIP3 7147 2.144 2.889 -1.973 1.00 0.00 WT1 O ATOM 20942 H1 TIP3 7147 -3.130 2.294 15.579 1.00 0.00 WT1 H ATOM 20943 H2 TIP3 7147 -2.554 -14.423 -11.081 1.00 0.00 WT1 H ATOM 20944 OH2 TIP3 7148 4.448 3.688 4.931 1.00 0.00 WT1 O ATOM 20945 H1 TIP3 7148 5.441 2.027 2.290 1.00 0.00 WT1 H ATOM 20946 H2 TIP3 7148 3.210 2.127 4.560 1.00 0.00 WT1 H ATOM 20947 OH2 TIP3 7149 -1.688 1.233 -1.492 1.00 0.00 WT1 O ATOM 20948 H1 TIP3 7149 -9.386 -23.195 -12.582 1.00 0.00 WT1 H ATOM 20949 H2 TIP3 7149 8.159 20.400 -7.468 1.00 0.00 WT1 H ATOM 20950 OH2 TIP3 7150 4.731 2.576 3.846 1.00 0.00 WT1 O ATOM 20951 H1 TIP3 7150 2.320 3.819 -0.696 1.00 0.00 WT1 H ATOM 20952 H2 TIP3 7150 3.379 7.900 0.547 1.00 0.00 WT1 H ATOM 20953 OH2 TIP3 7151 -1.040 -0.713 6.444 1.00 0.00 WT1 O ATOM 20954 H1 TIP3 7151 17.574 -16.469 19.298 1.00 0.00 WT1 H ATOM 20955 H2 TIP3 7151 -1.262 -0.442 10.027 1.00 0.00 WT1 H ATOM 20956 OH2 TIP3 7152 5.576 -2.174 2.921 1.00 0.00 WT1 O ATOM 20957 H1 TIP3 7152 -14.745 9.571 11.976 1.00 0.00 WT1 H ATOM 20958 H2 TIP3 7152 4.459 -5.167 -3.536 1.00 0.00 WT1 H ATOM 20959 OH2 TIP3 7153 6.884 -1.580 -3.512 1.00 0.00 WT1 O ATOM 20960 H1 TIP3 7153 23.801 -16.929 2.429 1.00 0.00 WT1 H ATOM 20961 H2 TIP3 7153 20.125 0.703 16.121 1.00 0.00 WT1 H ATOM 20962 OH2 TIP3 7154 -3.877 4.009 -2.800 1.00 0.00 WT1 O ATOM 20963 H1 TIP3 7154 -1.598 4.712 -2.738 1.00 0.00 WT1 H ATOM 20964 H2 TIP3 7154 18.648 -17.260 4.924 1.00 0.00 WT1 H ATOM 20965 OH2 TIP3 7155 4.373 0.095 -0.497 1.00 0.00 WT1 O ATOM 20966 H1 TIP3 7155 -3.686 -7.347 12.779 1.00 0.00 WT1 H ATOM 20967 H2 TIP3 7155 3.626 -7.617 -13.698 1.00 0.00 WT1 H ATOM 20968 OH2 TIP3 7156 -2.337 -0.536 -3.579 1.00 0.00 WT1 O ATOM 20969 H1 TIP3 7156 -0.654 -0.956 3.004 1.00 0.00 WT1 H ATOM 20970 H2 TIP3 7156 -4.565 -7.036 -5.272 1.00 0.00 WT1 H ATOM 20971 OH2 TIP3 7157 1.853 -2.589 2.804 1.00 0.00 WT1 O ATOM 20972 H1 TIP3 7157 -24.851 -15.158 8.521 1.00 0.00 WT1 H ATOM 20973 H2 TIP3 7157 6.003 8.024 -5.931 1.00 0.00 WT1 H ATOM 20974 OH2 TIP3 7158 -8.622 1.154 0.235 1.00 0.00 WT1 O ATOM 20975 H1 TIP3 7158 -18.102 -12.963 8.030 1.00 0.00 WT1 H ATOM 20976 H2 TIP3 7158 -6.905 1.644 1.976 1.00 0.00 WT1 H ATOM 20977 OH2 TIP3 7159 0.045 7.905 -7.004 1.00 0.00 WT1 O ATOM 20978 H1 TIP3 7159 3.990 23.206 -6.303 1.00 0.00 WT1 H ATOM 20979 H2 TIP3 7159 -1.499 15.677 -1.361 1.00 0.00 WT1 H ATOM 20980 OH2 TIP3 7160 0.060 4.764 -3.470 1.00 0.00 WT1 O ATOM 20981 H1 TIP3 7160 -9.207 4.807 -5.944 1.00 0.00 WT1 H ATOM 20982 H2 TIP3 7160 3.826 3.414 -2.855 1.00 0.00 WT1 H ATOM 20983 OH2 TIP3 7161 2.356 1.442 4.372 1.00 0.00 WT1 O ATOM 20984 H1 TIP3 7161 -21.380 5.094 -15.383 1.00 0.00 WT1 H ATOM 20985 H2 TIP3 7161 -9.173 0.830 8.112 1.00 0.00 WT1 H ATOM 20986 OH2 TIP3 7162 -3.920 -4.280 -0.200 1.00 0.00 WT1 O ATOM 20987 H1 TIP3 7162 -6.255 -5.091 4.481 1.00 0.00 WT1 H ATOM 20988 H2 TIP3 7162 3.430 -5.356 -11.935 1.00 0.00 WT1 H ATOM 20989 OH2 TIP3 7163 3.465 0.759 -5.520 1.00 0.00 WT1 O ATOM 20990 H1 TIP3 7163 6.483 1.966 -0.785 1.00 0.00 WT1 H ATOM 20991 H2 TIP3 7163 5.864 7.415 17.658 1.00 0.00 WT1 H ATOM 20992 OH2 TIP3 7164 -1.234 -3.346 -6.474 1.00 0.00 WT1 O ATOM 20993 H1 TIP3 7164 -11.148 15.582 12.571 1.00 0.00 WT1 H ATOM 20994 H2 TIP3 7164 11.509 15.873 -0.218 1.00 0.00 WT1 H ATOM 20995 OH2 TIP3 7165 -0.493 -4.567 1.034 1.00 0.00 WT1 O ATOM 20996 H1 TIP3 7165 -8.336 -20.336 -0.446 1.00 0.00 WT1 H ATOM 20997 H2 TIP3 7165 15.817 -6.623 4.578 1.00 0.00 WT1 H ATOM 20998 OH2 TIP3 7166 -2.715 1.382 -1.794 1.00 0.00 WT1 O ATOM 20999 H1 TIP3 7166 -9.780 19.627 5.845 1.00 0.00 WT1 H ATOM 21000 H2 TIP3 7166 -1.557 -11.576 -4.847 1.00 0.00 WT1 H ATOM 21001 OH2 TIP3 7167 0.777 0.742 2.502 1.00 0.00 WT1 O ATOM 21002 H1 TIP3 7167 -6.916 3.310 13.710 1.00 0.00 WT1 H ATOM 21003 H2 TIP3 7167 0.171 -3.609 -2.166 1.00 0.00 WT1 H ATOM 21004 OH2 TIP3 7168 -4.100 -1.500 1.535 1.00 0.00 WT1 O ATOM 21005 H1 TIP3 7168 -3.577 -7.791 21.630 1.00 0.00 WT1 H ATOM 21006 H2 TIP3 7168 -6.394 -12.471 -10.678 1.00 0.00 WT1 H ATOM 21007 OH2 TIP3 7169 4.174 0.844 1.798 1.00 0.00 WT1 O ATOM 21008 H1 TIP3 7169 -5.991 12.909 3.518 1.00 0.00 WT1 H ATOM 21009 H2 TIP3 7169 1.794 3.260 3.139 1.00 0.00 WT1 H ATOM 21010 OH2 TIP3 7170 -2.361 1.684 1.631 1.00 0.00 WT1 O ATOM 21011 H1 TIP3 7170 -3.333 8.823 21.943 1.00 0.00 WT1 H ATOM 21012 H2 TIP3 7170 -1.047 7.383 -24.674 1.00 0.00 WT1 H ATOM 21013 OH2 TIP3 7171 -1.685 0.621 2.422 1.00 0.00 WT1 O ATOM 21014 H1 TIP3 7171 -6.329 7.441 -2.685 1.00 0.00 WT1 H ATOM 21015 H2 TIP3 7171 -2.087 -17.152 -0.506 1.00 0.00 WT1 H ATOM 21016 OH2 TIP3 7172 -8.781 -0.445 6.926 1.00 0.00 WT1 O ATOM 21017 H1 TIP3 7172 -10.867 -7.389 -11.338 1.00 0.00 WT1 H ATOM 21018 H2 TIP3 7172 -5.524 16.817 5.472 1.00 0.00 WT1 H ATOM 21019 OH2 TIP3 7173 0.421 1.097 2.556 1.00 0.00 WT1 O ATOM 21020 H1 TIP3 7173 19.268 14.976 -1.172 1.00 0.00 WT1 H ATOM 21021 H2 TIP3 7173 -10.538 -10.498 9.748 1.00 0.00 WT1 H ATOM 21022 OH2 TIP3 7174 -0.276 5.187 -3.024 1.00 0.00 WT1 O ATOM 21023 H1 TIP3 7174 13.005 1.941 3.808 1.00 0.00 WT1 H ATOM 21024 H2 TIP3 7174 -5.751 10.842 20.027 1.00 0.00 WT1 H ATOM 21025 OH2 TIP3 7175 5.220 4.531 -3.442 1.00 0.00 WT1 O ATOM 21026 H1 TIP3 7175 -14.018 -4.340 -22.345 1.00 0.00 WT1 H ATOM 21027 H2 TIP3 7175 3.099 -11.007 18.106 1.00 0.00 WT1 H ATOM 21028 OH2 TIP3 7176 2.764 -5.219 1.945 1.00 0.00 WT1 O ATOM 21029 H1 TIP3 7176 1.841 -14.718 3.871 1.00 0.00 WT1 H ATOM 21030 H2 TIP3 7176 -6.237 -9.370 5.529 1.00 0.00 WT1 H ATOM 21031 OH2 TIP3 7177 -2.362 -2.208 -2.973 1.00 0.00 WT1 O ATOM 21032 H1 TIP3 7177 -10.637 1.366 -11.754 1.00 0.00 WT1 H ATOM 21033 H2 TIP3 7177 -7.812 -6.195 -14.960 1.00 0.00 WT1 H ATOM 21034 OH2 TIP3 7178 -6.348 -1.009 6.255 1.00 0.00 WT1 O ATOM 21035 H1 TIP3 7178 -20.297 -2.075 4.164 1.00 0.00 WT1 H ATOM 21036 H2 TIP3 7178 -9.257 -5.845 10.832 1.00 0.00 WT1 H ATOM 21037 OH2 TIP3 7179 -0.690 3.100 2.775 1.00 0.00 WT1 O ATOM 21038 H1 TIP3 7179 -3.114 16.484 -6.765 1.00 0.00 WT1 H ATOM 21039 H2 TIP3 7179 17.726 -17.403 -1.138 1.00 0.00 WT1 H ATOM 21040 OH2 TIP3 7180 0.711 -1.437 -4.828 1.00 0.00 WT1 O ATOM 21041 H1 TIP3 7180 2.985 4.576 -3.079 1.00 0.00 WT1 H ATOM 21042 H2 TIP3 7180 -19.397 2.075 -15.011 1.00 0.00 WT1 H ATOM 21043 OH2 TIP3 7181 0.790 3.911 -0.476 1.00 0.00 WT1 O ATOM 21044 H1 TIP3 7181 -2.402 -34.348 12.080 1.00 0.00 WT1 H ATOM 21045 H2 TIP3 7181 -17.322 13.820 12.396 1.00 0.00 WT1 H ATOM 21046 OH2 TIP3 7182 -4.756 -1.447 1.327 1.00 0.00 WT1 O ATOM 21047 H1 TIP3 7182 8.412 8.972 1.807 1.00 0.00 WT1 H ATOM 21048 H2 TIP3 7182 -16.914 -22.419 -11.848 1.00 0.00 WT1 H ATOM 21049 OH2 TIP3 7183 -1.811 5.202 -1.228 1.00 0.00 WT1 O ATOM 21050 H1 TIP3 7183 -4.793 0.636 -2.601 1.00 0.00 WT1 H ATOM 21051 H2 TIP3 7183 11.656 1.297 0.939 1.00 0.00 WT1 H ATOM 21052 OH2 TIP3 7184 -1.849 -3.315 3.098 1.00 0.00 WT1 O ATOM 21053 H1 TIP3 7184 4.595 10.660 -9.700 1.00 0.00 WT1 H ATOM 21054 H2 TIP3 7184 3.401 9.829 -9.571 1.00 0.00 WT1 H ATOM 21055 OH2 TIP3 7185 -4.455 -0.551 -2.999 1.00 0.00 WT1 O ATOM 21056 H1 TIP3 7185 15.415 -5.915 -7.275 1.00 0.00 WT1 H ATOM 21057 H2 TIP3 7185 -26.817 -12.704 -7.188 1.00 0.00 WT1 H ATOM 21058 OH2 TIP3 7186 1.101 3.911 -0.147 1.00 0.00 WT1 O ATOM 21059 H1 TIP3 7186 18.849 17.420 0.829 1.00 0.00 WT1 H ATOM 21060 H2 TIP3 7186 11.191 12.268 -6.905 1.00 0.00 WT1 H ATOM 21061 OH2 TIP3 7187 2.782 4.570 1.677 1.00 0.00 WT1 O ATOM 21062 H1 TIP3 7187 -18.496 -4.420 -23.385 1.00 0.00 WT1 H ATOM 21063 H2 TIP3 7187 -12.387 -13.400 6.819 1.00 0.00 WT1 H ATOM 21064 OH2 TIP3 7188 -0.303 5.284 0.518 1.00 0.00 WT1 O ATOM 21065 H1 TIP3 7188 -1.693 -2.467 24.060 1.00 0.00 WT1 H ATOM 21066 H2 TIP3 7188 -21.979 12.055 16.929 1.00 0.00 WT1 H ATOM 21067 OH2 TIP3 7189 -8.184 -3.356 3.940 1.00 0.00 WT1 O ATOM 21068 H1 TIP3 7189 6.279 6.895 -9.335 1.00 0.00 WT1 H ATOM 21069 H2 TIP3 7189 -13.633 -6.612 13.618 1.00 0.00 WT1 H ATOM 21070 OH2 TIP3 7190 0.777 -0.840 6.582 1.00 0.00 WT1 O ATOM 21071 H1 TIP3 7190 6.112 10.104 12.610 1.00 0.00 WT1 H ATOM 21072 H2 TIP3 7190 -6.579 -8.380 -30.302 1.00 0.00 WT1 H ATOM 21073 OH2 TIP3 7191 3.289 5.877 -0.537 1.00 0.00 WT1 O ATOM 21074 H1 TIP3 7191 -3.473 2.385 1.906 1.00 0.00 WT1 H ATOM 21075 H2 TIP3 7191 -1.028 7.669 -2.744 1.00 0.00 WT1 H ATOM 21076 OH2 TIP3 7192 -7.775 5.220 2.026 1.00 0.00 WT1 O ATOM 21077 H1 TIP3 7192 17.922 3.011 -15.345 1.00 0.00 WT1 H ATOM 21078 H2 TIP3 7192 4.668 -18.780 0.642 1.00 0.00 WT1 H ATOM 21079 OH2 TIP3 7193 2.070 1.435 3.783 1.00 0.00 WT1 O ATOM 21080 H1 TIP3 7193 -13.092 -13.497 1.705 1.00 0.00 WT1 H ATOM 21081 H2 TIP3 7193 -9.714 -20.727 5.005 1.00 0.00 WT1 H ATOM 21082 OH2 TIP3 7194 4.079 -8.733 -1.074 1.00 0.00 WT1 O ATOM 21083 H1 TIP3 7194 -32.626 -17.452 -7.240 1.00 0.00 WT1 H ATOM 21084 H2 TIP3 7194 5.417 -17.514 11.325 1.00 0.00 WT1 H ATOM 21085 OH2 TIP3 7195 -3.024 -4.935 2.091 1.00 0.00 WT1 O ATOM 21086 H1 TIP3 7195 -5.431 -16.999 -13.053 1.00 0.00 WT1 H ATOM 21087 H2 TIP3 7195 3.393 1.222 -16.895 1.00 0.00 WT1 H ATOM 21088 OH2 TIP3 7196 -1.328 -4.759 8.597 1.00 0.00 WT1 O ATOM 21089 H1 TIP3 7196 -8.921 -10.988 15.082 1.00 0.00 WT1 H ATOM 21090 H2 TIP3 7196 -3.282 -5.027 4.727 1.00 0.00 WT1 H ATOM 21091 OH2 TIP3 7197 0.371 1.908 -3.184 1.00 0.00 WT1 O ATOM 21092 H1 TIP3 7197 1.801 17.794 1.518 1.00 0.00 WT1 H ATOM 21093 H2 TIP3 7197 11.758 -4.386 1.114 1.00 0.00 WT1 H ATOM 21094 OH2 TIP3 7198 -3.014 2.511 1.770 1.00 0.00 WT1 O ATOM 21095 H1 TIP3 7198 -7.870 8.367 14.687 1.00 0.00 WT1 H ATOM 21096 H2 TIP3 7198 8.655 11.191 -2.109 1.00 0.00 WT1 H ATOM 21097 OH2 TIP3 7199 5.100 5.721 -4.251 1.00 0.00 WT1 O ATOM 21098 H1 TIP3 7199 13.859 8.563 -2.414 1.00 0.00 WT1 H ATOM 21099 H2 TIP3 7199 14.521 14.790 -4.494 1.00 0.00 WT1 H ATOM 21100 OH2 TIP3 7200 0.281 1.510 -0.994 1.00 0.00 WT1 O ATOM 21101 H1 TIP3 7200 13.725 0.277 3.771 1.00 0.00 WT1 H ATOM 21102 H2 TIP3 7200 -2.275 3.389 1.835 1.00 0.00 WT1 H ATOM 21103 OH2 TIP3 7201 -6.798 7.416 -4.683 1.00 0.00 WT1 O ATOM 21104 H1 TIP3 7201 4.972 4.895 -15.927 1.00 0.00 WT1 H ATOM 21105 H2 TIP3 7201 -5.466 6.604 -4.977 1.00 0.00 WT1 H ATOM 21106 OH2 TIP3 7202 -2.692 0.331 1.516 1.00 0.00 WT1 O ATOM 21107 H1 TIP3 7202 -4.474 -20.966 2.027 1.00 0.00 WT1 H ATOM 21108 H2 TIP3 7202 -1.761 -16.358 1.275 1.00 0.00 WT1 H ATOM 21109 OH2 TIP3 7203 3.427 -2.374 5.890 1.00 0.00 WT1 O ATOM 21110 H1 TIP3 7203 -19.596 -28.362 7.814 1.00 0.00 WT1 H ATOM 21111 H2 TIP3 7203 2.134 -5.164 4.715 1.00 0.00 WT1 H ATOM 21112 OH2 TIP3 7204 0.633 2.360 -6.840 1.00 0.00 WT1 O ATOM 21113 H1 TIP3 7204 12.300 -2.898 -7.237 1.00 0.00 WT1 H ATOM 21114 H2 TIP3 7204 7.336 -0.691 -7.325 1.00 0.00 WT1 H ATOM 21115 OH2 TIP3 7205 2.044 2.523 3.547 1.00 0.00 WT1 O ATOM 21116 H1 TIP3 7205 11.476 -13.683 -20.963 1.00 0.00 WT1 H ATOM 21117 H2 TIP3 7205 -1.742 29.962 -9.141 1.00 0.00 WT1 H ATOM 21118 OH2 TIP3 7206 3.187 -7.624 -4.234 1.00 0.00 WT1 O ATOM 21119 H1 TIP3 7206 -1.401 -0.451 -10.775 1.00 0.00 WT1 H ATOM 21120 H2 TIP3 7206 -10.899 10.608 16.017 1.00 0.00 WT1 H ATOM 21121 OH2 TIP3 7207 0.608 0.061 3.119 1.00 0.00 WT1 O ATOM 21122 H1 TIP3 7207 -4.307 -3.243 -4.381 1.00 0.00 WT1 H ATOM 21123 H2 TIP3 7207 2.626 -4.040 0.087 1.00 0.00 WT1 H ATOM 21124 OH2 TIP3 7208 0.545 2.713 7.653 1.00 0.00 WT1 O ATOM 21125 H1 TIP3 7208 8.655 -1.421 -5.775 1.00 0.00 WT1 H ATOM 21126 H2 TIP3 7208 -2.815 12.437 6.497 1.00 0.00 WT1 H ATOM 21127 OH2 TIP3 7209 -4.189 -2.956 1.141 1.00 0.00 WT1 O ATOM 21128 H1 TIP3 7209 -11.588 -9.888 -2.937 1.00 0.00 WT1 H ATOM 21129 H2 TIP3 7209 1.317 -3.189 -24.257 1.00 0.00 WT1 H ATOM 21130 OH2 TIP3 7210 -4.384 1.689 -0.416 1.00 0.00 WT1 O ATOM 21131 H1 TIP3 7210 -7.964 -15.159 -7.364 1.00 0.00 WT1 H ATOM 21132 H2 TIP3 7210 -25.574 0.422 4.589 1.00 0.00 WT1 H ATOM 21133 OH2 TIP3 7211 3.607 -5.640 2.184 1.00 0.00 WT1 O ATOM 21134 H1 TIP3 7211 -10.879 -5.070 8.837 1.00 0.00 WT1 H ATOM 21135 H2 TIP3 7211 -0.718 -5.658 4.388 1.00 0.00 WT1 H ATOM 21136 OH2 TIP3 7212 -7.449 -0.263 0.815 1.00 0.00 WT1 O ATOM 21137 H1 TIP3 7212 -7.258 -1.860 4.651 1.00 0.00 WT1 H ATOM 21138 H2 TIP3 7212 -12.852 1.247 2.316 1.00 0.00 WT1 H ATOM 21139 OH2 TIP3 7213 0.131 4.205 4.107 1.00 0.00 WT1 O ATOM 21140 H1 TIP3 7213 -1.458 11.415 5.994 1.00 0.00 WT1 H ATOM 21141 H2 TIP3 7213 3.959 2.039 -6.445 1.00 0.00 WT1 H ATOM 21142 OH2 TIP3 7215 -0.161 -2.509 -1.211 1.00 0.00 WT1 O ATOM 21143 H1 TIP3 7215 4.313 -1.722 -1.073 1.00 0.00 WT1 H ATOM 21144 H2 TIP3 7215 2.110 -3.235 -1.607 1.00 0.00 WT1 H ATOM 21145 OH2 TIP3 7216 6.760 0.456 0.895 1.00 0.00 WT1 O ATOM 21146 H1 TIP3 7216 -4.486 4.399 -3.093 1.00 0.00 WT1 H ATOM 21147 H2 TIP3 7216 -10.697 10.873 -3.049 1.00 0.00 WT1 H ATOM 21148 OH2 TIP3 7217 -0.139 1.690 4.581 1.00 0.00 WT1 O ATOM 21149 H1 TIP3 7217 -13.824 -4.196 -0.234 1.00 0.00 WT1 H ATOM 21150 H2 TIP3 7217 -31.858 -16.163 15.253 1.00 0.00 WT1 H ATOM 21151 OH2 TIP3 7219 -1.959 -1.089 2.957 1.00 0.00 WT1 O ATOM 21152 H1 TIP3 7219 3.599 3.448 3.171 1.00 0.00 WT1 H ATOM 21153 H2 TIP3 7219 -3.597 -0.918 -3.551 1.00 0.00 WT1 H ATOM 21154 OH2 TIP3 7220 -5.331 -2.607 6.742 1.00 0.00 WT1 O ATOM 21155 H1 TIP3 7220 -2.339 -5.454 -2.558 1.00 0.00 WT1 H ATOM 21156 H2 TIP3 7220 -5.050 -1.051 9.591 1.00 0.00 WT1 H ATOM 21157 OH2 TIP3 7221 2.657 -12.749 -1.459 1.00 0.00 WT1 O ATOM 21158 H1 TIP3 7221 -10.408 -3.758 15.097 1.00 0.00 WT1 H ATOM 21159 H2 TIP3 7221 -2.150 -10.570 3.852 1.00 0.00 WT1 H ATOM 21160 OH2 TIP3 7222 -0.833 -7.819 -0.905 1.00 0.00 WT1 O ATOM 21161 H1 TIP3 7222 8.491 -14.346 -6.696 1.00 0.00 WT1 H ATOM 21162 H2 TIP3 7222 11.364 1.444 22.807 1.00 0.00 WT1 H ATOM 21163 OH2 TIP3 7223 -3.696 -6.514 3.047 1.00 0.00 WT1 O ATOM 21164 H1 TIP3 7223 0.024 -8.550 -1.319 1.00 0.00 WT1 H ATOM 21165 H2 TIP3 7223 -12.404 -4.591 3.908 1.00 0.00 WT1 H ATOM 21166 OH2 TIP3 7224 -1.583 -3.209 -0.759 1.00 0.00 WT1 O ATOM 21167 H1 TIP3 7224 -5.466 1.906 4.259 1.00 0.00 WT1 H ATOM 21168 H2 TIP3 7224 16.920 -8.805 -4.092 1.00 0.00 WT1 H ATOM 21169 OH2 TIP3 7225 -0.285 4.481 4.136 1.00 0.00 WT1 O ATOM 21170 H1 TIP3 7225 -7.749 14.923 0.770 1.00 0.00 WT1 H ATOM 21171 H2 TIP3 7225 -35.310 9.064 -1.771 1.00 0.00 WT1 H ATOM 21172 OH2 TIP3 7226 -4.074 -5.436 1.583 1.00 0.00 WT1 O ATOM 21173 H1 TIP3 7226 -5.179 -17.179 -4.953 1.00 0.00 WT1 H ATOM 21174 H2 TIP3 7226 -10.643 -3.572 14.435 1.00 0.00 WT1 H ATOM 21175 OH2 TIP3 7227 -1.556 1.524 1.154 1.00 0.00 WT1 O ATOM 21176 H1 TIP3 7227 11.291 -4.870 -14.265 1.00 0.00 WT1 H ATOM 21177 H2 TIP3 7227 4.139 5.054 -2.825 1.00 0.00 WT1 H ATOM 21178 OH2 TIP3 7228 3.947 1.427 0.814 1.00 0.00 WT1 O ATOM 21179 H1 TIP3 7228 18.005 6.892 -0.148 1.00 0.00 WT1 H ATOM 21180 H2 TIP3 7228 9.750 -1.912 7.412 1.00 0.00 WT1 H ATOM 21181 OH2 TIP3 7229 -3.841 -2.494 -1.868 1.00 0.00 WT1 O ATOM 21182 H1 TIP3 7229 13.267 -2.427 14.185 1.00 0.00 WT1 H ATOM 21183 H2 TIP3 7229 -17.312 -24.717 21.220 1.00 0.00 WT1 H ATOM 21184 OH2 TIP3 7230 0.656 3.088 1.380 1.00 0.00 WT1 O ATOM 21185 H1 TIP3 7230 9.078 0.833 -10.516 1.00 0.00 WT1 H ATOM 21186 H2 TIP3 7230 13.222 7.821 0.862 1.00 0.00 WT1 H ATOM 21187 OH2 TIP3 7231 -2.329 -1.368 0.110 1.00 0.00 WT1 O ATOM 21188 H1 TIP3 7231 6.526 -13.866 -29.170 1.00 0.00 WT1 H ATOM 21189 H2 TIP3 7231 -15.132 9.098 17.678 1.00 0.00 WT1 H ATOM 21190 OH2 TIP3 7232 3.689 4.338 -5.173 1.00 0.00 WT1 O ATOM 21191 H1 TIP3 7232 33.035 -9.415 28.243 1.00 0.00 WT1 H ATOM 21192 H2 TIP3 7232 -5.022 6.944 -17.776 1.00 0.00 WT1 H ATOM 21193 OH2 TIP3 7233 -4.711 5.697 -5.025 1.00 0.00 WT1 O ATOM 21194 H1 TIP3 7233 -19.416 14.424 -9.043 1.00 0.00 WT1 H ATOM 21195 H2 TIP3 7233 0.486 2.521 -3.954 1.00 0.00 WT1 H ATOM 21196 OH2 TIP3 7234 -2.014 5.972 2.419 1.00 0.00 WT1 O ATOM 21197 H1 TIP3 7234 -4.627 5.399 2.073 1.00 0.00 WT1 H ATOM 21198 H2 TIP3 7234 -5.616 8.540 -13.785 1.00 0.00 WT1 H ATOM 21199 OH2 TIP3 7235 -4.631 2.925 2.165 1.00 0.00 WT1 O ATOM 21200 H1 TIP3 7235 5.098 0.300 -3.548 1.00 0.00 WT1 H ATOM 21201 H2 TIP3 7235 -5.957 -4.118 -1.758 1.00 0.00 WT1 H ATOM 21202 OH2 TIP3 7236 -0.798 6.442 0.374 1.00 0.00 WT1 O ATOM 21203 H1 TIP3 7236 -0.334 -2.894 11.429 1.00 0.00 WT1 H ATOM 21204 H2 TIP3 7236 14.669 10.079 -8.789 1.00 0.00 WT1 H ATOM 21205 OH2 TIP3 7237 1.619 -0.908 -2.534 1.00 0.00 WT1 O ATOM 21206 H1 TIP3 7237 -5.283 10.853 -11.317 1.00 0.00 WT1 H ATOM 21207 H2 TIP3 7237 -1.333 8.381 -4.025 1.00 0.00 WT1 H ATOM 21208 OH2 TIP3 7238 6.307 2.716 1.254 1.00 0.00 WT1 O ATOM 21209 H1 TIP3 7238 7.240 -2.543 -6.875 1.00 0.00 WT1 H ATOM 21210 H2 TIP3 7238 3.492 1.697 -1.770 1.00 0.00 WT1 H ATOM 21211 OH2 TIP3 7239 3.353 0.375 1.399 1.00 0.00 WT1 O ATOM 21212 H1 TIP3 7239 3.430 6.024 5.855 1.00 0.00 WT1 H ATOM 21213 H2 TIP3 7239 2.261 13.406 9.554 1.00 0.00 WT1 H ATOM 21214 OH2 TIP3 7240 -0.033 2.765 -1.423 1.00 0.00 WT1 O ATOM 21215 H1 TIP3 7240 5.199 -8.276 2.308 1.00 0.00 WT1 H ATOM 21216 H2 TIP3 7240 12.910 8.318 -12.809 1.00 0.00 WT1 H ATOM 21217 OH2 TIP3 7241 4.568 3.742 2.909 1.00 0.00 WT1 O ATOM 21218 H1 TIP3 7241 8.229 6.350 8.881 1.00 0.00 WT1 H ATOM 21219 H2 TIP3 7241 -1.354 -4.444 1.643 1.00 0.00 WT1 H ATOM 21220 OH2 TIP3 7242 -0.444 -0.235 -3.904 1.00 0.00 WT1 O ATOM 21221 H1 TIP3 7242 -5.389 -19.517 -7.002 1.00 0.00 WT1 H ATOM 21222 H2 TIP3 7242 -4.104 -12.339 3.229 1.00 0.00 WT1 H ATOM 21223 OH2 TIP3 7243 2.586 1.351 -2.214 1.00 0.00 WT1 O ATOM 21224 H1 TIP3 7243 0.846 -12.573 12.089 1.00 0.00 WT1 H ATOM 21225 H2 TIP3 7243 6.910 6.034 -2.293 1.00 0.00 WT1 H ATOM 21226 OH2 TIP3 7244 1.682 0.659 1.778 1.00 0.00 WT1 O ATOM 21227 H1 TIP3 7244 -2.555 7.584 -0.368 1.00 0.00 WT1 H ATOM 21228 H2 TIP3 7244 9.412 -8.739 4.767 1.00 0.00 WT1 H ATOM 21229 OH2 TIP3 7245 -6.478 -1.387 -7.597 1.00 0.00 WT1 O ATOM 21230 H1 TIP3 7245 -23.754 30.284 -2.039 1.00 0.00 WT1 H ATOM 21231 H2 TIP3 7245 5.807 -24.037 -45.658 1.00 0.00 WT1 H ATOM 21232 OH2 TIP3 7246 -2.725 -1.450 -2.408 1.00 0.00 WT1 O ATOM 21233 H1 TIP3 7246 -0.842 10.845 9.053 1.00 0.00 WT1 H ATOM 21234 H2 TIP3 7246 -3.863 0.223 -2.175 1.00 0.00 WT1 H ATOM 21235 OH2 TIP3 7247 0.422 0.862 1.786 1.00 0.00 WT1 O ATOM 21236 H1 TIP3 7247 3.735 -5.881 0.533 1.00 0.00 WT1 H ATOM 21237 H2 TIP3 7247 0.428 9.530 1.521 1.00 0.00 WT1 H ATOM 21238 OH2 TIP3 7248 -0.570 -2.498 -2.769 1.00 0.00 WT1 O ATOM 21239 H1 TIP3 7248 -16.802 10.917 22.175 1.00 0.00 WT1 H ATOM 21240 H2 TIP3 7248 -13.097 26.872 0.027 1.00 0.00 WT1 H ATOM 21241 OH2 TIP3 7249 -5.943 -8.003 0.762 1.00 0.00 WT1 O ATOM 21242 H1 TIP3 7249 -19.939 -9.777 19.239 1.00 0.00 WT1 H ATOM 21243 H2 TIP3 7249 -18.564 21.941 -15.416 1.00 0.00 WT1 H ATOM 21244 OH2 TIP3 7250 -5.668 0.170 -3.089 1.00 0.00 WT1 O ATOM 21245 H1 TIP3 7250 -18.271 0.648 -15.714 1.00 0.00 WT1 H ATOM 21246 H2 TIP3 7250 -7.814 1.091 -4.880 1.00 0.00 WT1 H ATOM 21247 OH2 TIP3 7251 3.774 3.886 -7.564 1.00 0.00 WT1 O ATOM 21248 H1 TIP3 7251 3.428 -3.853 -0.281 1.00 0.00 WT1 H ATOM 21249 H2 TIP3 7251 3.271 -7.240 3.484 1.00 0.00 WT1 H ATOM 21250 OH2 TIP3 7252 -2.682 -1.450 -2.004 1.00 0.00 WT1 O ATOM 21251 H1 TIP3 7252 0.546 -34.626 8.841 1.00 0.00 WT1 H ATOM 21252 H2 TIP3 7252 -9.849 1.715 2.689 1.00 0.00 WT1 H ATOM 21253 OH2 TIP3 7253 -3.662 1.192 2.591 1.00 0.00 WT1 O ATOM 21254 H1 TIP3 7253 -5.782 -7.707 1.257 1.00 0.00 WT1 H ATOM 21255 H2 TIP3 7253 -7.464 -2.255 2.186 1.00 0.00 WT1 H ATOM 21256 OH2 TIP3 7254 -3.278 -1.855 4.021 1.00 0.00 WT1 O ATOM 21257 H1 TIP3 7254 8.405 7.889 7.516 1.00 0.00 WT1 H ATOM 21258 H2 TIP3 7254 14.489 -9.519 -0.733 1.00 0.00 WT1 H ATOM 21259 OH2 TIP3 7255 3.612 4.213 3.517 1.00 0.00 WT1 O ATOM 21260 H1 TIP3 7255 7.996 11.377 -6.654 1.00 0.00 WT1 H ATOM 21261 H2 TIP3 7255 -1.988 -6.799 15.003 1.00 0.00 WT1 H ATOM 21262 OH2 TIP3 7256 0.503 3.409 -3.138 1.00 0.00 WT1 O ATOM 21263 H1 TIP3 7256 -17.234 0.358 -0.958 1.00 0.00 WT1 H ATOM 21264 H2 TIP3 7256 5.714 -9.004 -11.233 1.00 0.00 WT1 H ATOM 21265 OH2 TIP3 7257 1.809 0.597 -3.910 1.00 0.00 WT1 O ATOM 21266 H1 TIP3 7257 23.871 22.326 0.023 1.00 0.00 WT1 H ATOM 21267 H2 TIP3 7257 -18.889 12.455 15.304 1.00 0.00 WT1 H ATOM 21268 OH2 TIP3 7258 -1.095 -4.095 1.839 1.00 0.00 WT1 O ATOM 21269 H1 TIP3 7258 6.931 -4.381 -11.565 1.00 0.00 WT1 H ATOM 21270 H2 TIP3 7258 -15.659 -2.686 22.860 1.00 0.00 WT1 H ATOM 21271 OH2 TIP3 7259 -0.587 -6.264 2.212 1.00 0.00 WT1 O ATOM 21272 H1 TIP3 7259 5.956 -0.917 11.627 1.00 0.00 WT1 H ATOM 21273 H2 TIP3 7259 3.278 3.313 7.035 1.00 0.00 WT1 H ATOM 21274 OH2 TIP3 7260 -5.853 7.506 -1.294 1.00 0.00 WT1 O ATOM 21275 H1 TIP3 7260 -3.239 10.475 3.060 1.00 0.00 WT1 H ATOM 21276 H2 TIP3 7260 1.385 -13.465 -21.131 1.00 0.00 WT1 H ATOM 21277 OH2 TIP3 7261 -1.907 0.850 -0.432 1.00 0.00 WT1 O ATOM 21278 H1 TIP3 7261 -3.399 -13.935 -6.199 1.00 0.00 WT1 H ATOM 21279 H2 TIP3 7261 3.505 -1.617 3.896 1.00 0.00 WT1 H ATOM 21280 OH2 TIP3 7264 -4.320 2.106 -5.969 1.00 0.00 WT1 O ATOM 21281 H1 TIP3 7264 -4.523 -1.082 3.280 1.00 0.00 WT1 H ATOM 21282 H2 TIP3 7264 -2.190 9.869 -10.595 1.00 0.00 WT1 H ATOM 21283 OH2 TIP3 7265 0.635 -0.094 0.535 1.00 0.00 WT1 O ATOM 21284 H1 TIP3 7265 22.212 -26.453 -1.958 1.00 0.00 WT1 H ATOM 21285 H2 TIP3 7265 10.321 -17.012 -3.260 1.00 0.00 WT1 H ATOM 21286 OH2 TIP3 7266 0.782 -3.834 -3.647 1.00 0.00 WT1 O ATOM 21287 H1 TIP3 7266 -23.450 15.850 19.633 1.00 0.00 WT1 H ATOM 21288 H2 TIP3 7266 -3.530 -1.022 0.044 1.00 0.00 WT1 H ATOM 21289 OH2 TIP3 7267 -0.053 -4.066 -7.763 1.00 0.00 WT1 O ATOM 21290 H1 TIP3 7267 -4.889 5.743 -10.229 1.00 0.00 WT1 H ATOM 21291 H2 TIP3 7267 -3.960 8.746 -12.052 1.00 0.00 WT1 H ATOM 21292 OH2 TIP3 7268 1.329 3.968 -5.317 1.00 0.00 WT1 O ATOM 21293 H1 TIP3 7268 -8.732 -3.093 -9.501 1.00 0.00 WT1 H ATOM 21294 H2 TIP3 7268 -4.881 4.440 -5.159 1.00 0.00 WT1 H ATOM 21295 OH2 TIP3 7269 -5.142 -6.176 -1.624 1.00 0.00 WT1 O ATOM 21296 H1 TIP3 7269 -9.936 17.238 2.071 1.00 0.00 WT1 H ATOM 21297 H2 TIP3 7269 -10.618 0.494 9.956 1.00 0.00 WT1 H ATOM 21298 OH2 TIP3 7270 3.119 -7.717 3.114 1.00 0.00 WT1 O ATOM 21299 H1 TIP3 7270 2.114 -9.141 17.007 1.00 0.00 WT1 H ATOM 21300 H2 TIP3 7270 -3.972 4.158 -15.237 1.00 0.00 WT1 H ATOM 21301 OH2 TIP3 7271 0.019 -2.540 1.863 1.00 0.00 WT1 O ATOM 21302 H1 TIP3 7271 -3.716 -10.705 2.804 1.00 0.00 WT1 H ATOM 21303 H2 TIP3 7271 -5.723 1.879 6.615 1.00 0.00 WT1 H ATOM 21304 OH2 TIP3 7272 6.932 -1.648 1.508 1.00 0.00 WT1 O ATOM 21305 H1 TIP3 7272 -9.938 -12.746 1.980 1.00 0.00 WT1 H ATOM 21306 H2 TIP3 7272 17.526 -14.344 -5.256 1.00 0.00 WT1 H ATOM 21307 OH2 TIP3 7273 -5.653 -1.763 3.203 1.00 0.00 WT1 O ATOM 21308 H1 TIP3 7273 -2.985 -7.228 1.058 1.00 0.00 WT1 H ATOM 21309 H2 TIP3 7273 -11.520 -2.097 9.726 1.00 0.00 WT1 H ATOM 21310 OH2 TIP3 7275 1.842 4.004 -4.100 1.00 0.00 WT1 O ATOM 21311 H1 TIP3 7275 -1.648 6.454 -21.944 1.00 0.00 WT1 H ATOM 21312 H2 TIP3 7275 -13.227 -1.253 5.832 1.00 0.00 WT1 H ATOM 21313 OH2 TIP3 7276 2.006 -4.739 -9.554 1.00 0.00 WT1 O ATOM 21314 H1 TIP3 7276 -0.464 -26.760 -9.968 1.00 0.00 WT1 H ATOM 21315 H2 TIP3 7276 -6.219 -4.655 -26.987 1.00 0.00 WT1 H ATOM 21316 OH2 TIP3 7277 -1.252 -3.004 -3.455 1.00 0.00 WT1 O ATOM 21317 H1 TIP3 7277 -18.666 9.779 13.568 1.00 0.00 WT1 H ATOM 21318 H2 TIP3 7277 20.630 29.238 6.935 1.00 0.00 WT1 H ATOM 21319 OH2 TIP3 7278 -5.995 5.772 -3.460 1.00 0.00 WT1 O ATOM 21320 H1 TIP3 7278 -9.140 6.089 0.036 1.00 0.00 WT1 H ATOM 21321 H2 TIP3 7278 -6.558 2.194 25.324 1.00 0.00 WT1 H ATOM 21322 OH2 TIP3 7279 -5.377 -5.068 1.560 1.00 0.00 WT1 O ATOM 21323 H1 TIP3 7279 24.401 -11.565 11.235 1.00 0.00 WT1 H ATOM 21324 H2 TIP3 7279 -25.746 -22.964 1.554 1.00 0.00 WT1 H ATOM 21325 OH2 TIP3 7280 0.036 1.395 -4.030 1.00 0.00 WT1 O ATOM 21326 H1 TIP3 7280 12.480 16.666 -3.801 1.00 0.00 WT1 H ATOM 21327 H2 TIP3 7280 0.988 10.684 -6.097 1.00 0.00 WT1 H ATOM 21328 OH2 TIP3 7281 -0.134 -2.399 -0.946 1.00 0.00 WT1 O ATOM 21329 H1 TIP3 7281 4.208 -3.038 -7.646 1.00 0.00 WT1 H ATOM 21330 H2 TIP3 7281 3.360 4.357 -39.356 1.00 0.00 WT1 H ATOM 21331 OH2 TIP3 7282 -8.481 -2.217 -6.406 1.00 0.00 WT1 O ATOM 21332 H1 TIP3 7282 -5.370 -3.314 -15.938 1.00 0.00 WT1 H ATOM 21333 H2 TIP3 7282 -5.168 -3.943 -5.943 1.00 0.00 WT1 H ATOM 21334 OH2 TIP3 7283 9.075 -1.192 -4.717 1.00 0.00 WT1 O ATOM 21335 H1 TIP3 7283 15.778 19.026 -13.909 1.00 0.00 WT1 H ATOM 21336 H2 TIP3 7283 2.618 -17.097 0.030 1.00 0.00 WT1 H ATOM 21337 OH2 TIP3 7284 3.071 3.145 0.526 1.00 0.00 WT1 O ATOM 21338 H1 TIP3 7284 -2.606 -18.859 -14.059 1.00 0.00 WT1 H ATOM 21339 H2 TIP3 7284 -27.859 6.912 12.922 1.00 0.00 WT1 H ATOM 21340 OH2 TIP3 7285 -2.492 -5.174 6.085 1.00 0.00 WT1 O ATOM 21341 H1 TIP3 7285 -5.095 -12.477 5.791 1.00 0.00 WT1 H ATOM 21342 H2 TIP3 7285 -3.473 10.811 11.765 1.00 0.00 WT1 H ATOM 21343 OH2 TIP3 7286 6.495 -0.931 -0.620 1.00 0.00 WT1 O ATOM 21344 H1 TIP3 7286 7.677 -5.339 8.835 1.00 0.00 WT1 H ATOM 21345 H2 TIP3 7286 1.214 6.331 3.821 1.00 0.00 WT1 H ATOM 21346 OH2 TIP3 7287 -1.406 0.636 5.217 1.00 0.00 WT1 O ATOM 21347 H1 TIP3 7287 -0.418 4.770 1.750 1.00 0.00 WT1 H ATOM 21348 H2 TIP3 7287 -2.583 -16.554 18.762 1.00 0.00 WT1 H ATOM 21349 OH2 TIP3 7288 1.824 -1.558 -2.474 1.00 0.00 WT1 O ATOM 21350 H1 TIP3 7288 -10.673 13.253 20.561 1.00 0.00 WT1 H ATOM 21351 H2 TIP3 7288 11.684 -14.410 -15.829 1.00 0.00 WT1 H ATOM 21352 OH2 TIP3 7289 -1.029 2.138 3.274 1.00 0.00 WT1 O ATOM 21353 H1 TIP3 7289 12.389 -5.527 11.160 1.00 0.00 WT1 H ATOM 21354 H2 TIP3 7289 4.578 3.610 6.714 1.00 0.00 WT1 H ATOM 21355 OH2 TIP3 7290 7.277 -2.709 -3.645 1.00 0.00 WT1 O ATOM 21356 H1 TIP3 7290 22.717 -8.572 -4.955 1.00 0.00 WT1 H ATOM 21357 H2 TIP3 7290 2.073 -5.463 -19.344 1.00 0.00 WT1 H ATOM 21358 OH2 TIP3 7291 5.324 -4.834 -2.478 1.00 0.00 WT1 O ATOM 21359 H1 TIP3 7291 15.997 6.711 -0.967 1.00 0.00 WT1 H ATOM 21360 H2 TIP3 7291 -3.683 -7.635 -0.371 1.00 0.00 WT1 H ATOM 21361 OH2 TIP3 7293 0.982 -1.709 1.296 1.00 0.00 WT1 O ATOM 21362 H1 TIP3 7293 -5.732 4.621 -10.884 1.00 0.00 WT1 H ATOM 21363 H2 TIP3 7293 -1.698 1.548 -15.948 1.00 0.00 WT1 H ATOM 21364 OH2 TIP3 7294 1.576 -0.770 -2.702 1.00 0.00 WT1 O ATOM 21365 H1 TIP3 7294 -22.191 -11.945 -0.944 1.00 0.00 WT1 H ATOM 21366 H2 TIP3 7294 9.869 -0.144 3.967 1.00 0.00 WT1 H ATOM 21367 OH2 TIP3 7295 8.806 -4.019 2.958 1.00 0.00 WT1 O ATOM 21368 H1 TIP3 7295 6.922 -3.032 5.296 1.00 0.00 WT1 H ATOM 21369 H2 TIP3 7295 19.867 -8.033 -1.486 1.00 0.00 WT1 H ATOM 21370 OH2 TIP3 7297 0.311 -3.275 -4.482 1.00 0.00 WT1 O ATOM 21371 H1 TIP3 7297 -4.982 -16.443 -6.122 1.00 0.00 WT1 H ATOM 21372 H2 TIP3 7297 29.698 25.282 -3.735 1.00 0.00 WT1 H ATOM 21373 OH2 TIP3 7298 1.745 5.415 -1.803 1.00 0.00 WT1 O ATOM 21374 H1 TIP3 7298 12.141 -6.763 -9.090 1.00 0.00 WT1 H ATOM 21375 H2 TIP3 7298 -20.631 3.323 0.372 1.00 0.00 WT1 H ATOM 21376 OH2 TIP3 7299 0.571 -2.725 3.922 1.00 0.00 WT1 O ATOM 21377 H1 TIP3 7299 9.143 2.604 14.635 1.00 0.00 WT1 H ATOM 21378 H2 TIP3 7299 -4.440 2.261 1.370 1.00 0.00 WT1 H ATOM 21379 OH2 TIP3 7300 -0.052 2.663 0.633 1.00 0.00 WT1 O ATOM 21380 H1 TIP3 7300 9.571 -1.528 14.676 1.00 0.00 WT1 H ATOM 21381 H2 TIP3 7300 -5.512 4.156 -7.101 1.00 0.00 WT1 H ATOM 21382 OH2 TIP3 7301 -2.027 -3.174 0.523 1.00 0.00 WT1 O ATOM 21383 H1 TIP3 7301 0.494 -18.094 0.351 1.00 0.00 WT1 H ATOM 21384 H2 TIP3 7301 -2.505 -1.783 -14.302 1.00 0.00 WT1 H ATOM 21385 OH2 TIP3 7302 3.612 -3.327 -1.423 1.00 0.00 WT1 O ATOM 21386 H1 TIP3 7302 -7.910 7.057 13.790 1.00 0.00 WT1 H ATOM 21387 H2 TIP3 7302 -14.582 -13.506 3.594 1.00 0.00 WT1 H ATOM 21388 OH2 TIP3 7304 -8.058 -2.266 2.419 1.00 0.00 WT1 O ATOM 21389 H1 TIP3 7304 12.067 6.961 -14.209 1.00 0.00 WT1 H ATOM 21390 H2 TIP3 7304 9.710 -14.750 -4.879 1.00 0.00 WT1 H ATOM 21391 OH2 TIP3 7305 -3.325 4.817 -1.017 1.00 0.00 WT1 O ATOM 21392 H1 TIP3 7305 6.550 -2.221 7.846 1.00 0.00 WT1 H ATOM 21393 H2 TIP3 7305 4.963 8.438 -4.022 1.00 0.00 WT1 H ATOM 21394 OH2 TIP3 7306 1.553 4.176 1.212 1.00 0.00 WT1 O ATOM 21395 H1 TIP3 7306 -13.310 14.104 -16.046 1.00 0.00 WT1 H ATOM 21396 H2 TIP3 7306 9.173 -9.342 5.958 1.00 0.00 WT1 H ATOM 21397 OH2 TIP3 7307 0.954 -8.765 -3.971 1.00 0.00 WT1 O ATOM 21398 H1 TIP3 7307 -12.918 -18.213 -3.210 1.00 0.00 WT1 H ATOM 21399 H2 TIP3 7307 -8.242 0.670 -10.489 1.00 0.00 WT1 H ATOM 21400 OH2 TIP3 7309 -2.912 -1.870 5.260 1.00 0.00 WT1 O ATOM 21401 H1 TIP3 7309 -2.908 -17.266 5.033 1.00 0.00 WT1 H ATOM 21402 H2 TIP3 7309 3.353 -11.826 11.734 1.00 0.00 WT1 H ATOM 21403 OH2 TIP3 7310 -4.090 0.602 0.593 1.00 0.00 WT1 O ATOM 21404 H1 TIP3 7310 0.322 -14.861 -16.663 1.00 0.00 WT1 H ATOM 21405 H2 TIP3 7310 -14.098 8.878 -4.663 1.00 0.00 WT1 H ATOM 21406 OH2 TIP3 7312 11.396 2.537 -7.791 1.00 0.00 WT1 O ATOM 21407 H1 TIP3 7312 5.980 -8.900 -3.556 1.00 0.00 WT1 H ATOM 21408 H2 TIP3 7312 -3.959 -5.511 2.370 1.00 0.00 WT1 H ATOM 21409 OH2 TIP3 7313 0.874 0.993 -0.816 1.00 0.00 WT1 O ATOM 21410 H1 TIP3 7313 2.890 16.112 7.983 1.00 0.00 WT1 H ATOM 21411 H2 TIP3 7313 24.792 -7.632 -10.587 1.00 0.00 WT1 H ATOM 21412 OH2 TIP3 7314 1.616 -4.523 1.436 1.00 0.00 WT1 O ATOM 21413 H1 TIP3 7314 -13.849 13.302 -12.858 1.00 0.00 WT1 H ATOM 21414 H2 TIP3 7314 3.262 -4.921 4.461 1.00 0.00 WT1 H ATOM 21415 OH2 TIP3 7315 -4.533 2.354 -10.501 1.00 0.00 WT1 O ATOM 21416 H1 TIP3 7315 3.884 1.617 -12.180 1.00 0.00 WT1 H ATOM 21417 H2 TIP3 7315 -9.725 4.646 -9.406 1.00 0.00 WT1 H ATOM 21418 OH2 TIP3 7318 0.885 -4.766 -6.160 1.00 0.00 WT1 O ATOM 21419 H1 TIP3 7318 -24.234 -5.927 6.547 1.00 0.00 WT1 H ATOM 21420 H2 TIP3 7318 1.650 -5.901 -5.757 1.00 0.00 WT1 H ATOM 21421 OH2 TIP3 7319 3.356 5.412 -1.029 1.00 0.00 WT1 O ATOM 21422 H1 TIP3 7319 9.828 6.584 -2.222 1.00 0.00 WT1 H ATOM 21423 H2 TIP3 7319 -4.008 0.186 -1.023 1.00 0.00 WT1 H ATOM 21424 OH2 TIP3 7320 7.471 3.392 -2.800 1.00 0.00 WT1 O ATOM 21425 H1 TIP3 7320 7.967 1.456 6.344 1.00 0.00 WT1 H ATOM 21426 H2 TIP3 7320 -0.053 -3.024 -4.952 1.00 0.00 WT1 H ATOM 21427 OH2 TIP3 7322 -0.438 -1.719 0.418 1.00 0.00 WT1 O ATOM 21428 H1 TIP3 7322 -23.153 -6.107 -1.797 1.00 0.00 WT1 H ATOM 21429 H2 TIP3 7322 9.739 1.494 1.451 1.00 0.00 WT1 H ATOM 21430 OH2 TIP3 7323 -0.060 -1.534 6.402 1.00 0.00 WT1 O ATOM 21431 H1 TIP3 7323 -9.090 2.178 6.418 1.00 0.00 WT1 H ATOM 21432 H2 TIP3 7323 0.265 7.896 8.037 1.00 0.00 WT1 H ATOM 21433 OH2 TIP3 7324 7.407 1.967 2.570 1.00 0.00 WT1 O ATOM 21434 H1 TIP3 7324 -14.197 -7.335 -2.854 1.00 0.00 WT1 H ATOM 21435 H2 TIP3 7324 3.637 25.367 1.218 1.00 0.00 WT1 H ATOM 21436 OH2 TIP3 7325 1.164 5.244 4.594 1.00 0.00 WT1 O ATOM 21437 H1 TIP3 7325 17.205 -5.094 -11.794 1.00 0.00 WT1 H ATOM 21438 H2 TIP3 7325 -6.354 -8.716 11.932 1.00 0.00 WT1 H ATOM 21439 OH2 TIP3 7326 -4.683 7.036 0.974 1.00 0.00 WT1 O ATOM 21440 H1 TIP3 7326 1.846 9.769 -1.918 1.00 0.00 WT1 H ATOM 21441 H2 TIP3 7326 14.999 15.266 -7.478 1.00 0.00 WT1 H ATOM 21442 OH2 TIP3 7328 2.588 0.098 -1.340 1.00 0.00 WT1 O ATOM 21443 H1 TIP3 7328 -8.108 -5.310 2.142 1.00 0.00 WT1 H ATOM 21444 H2 TIP3 7328 1.569 6.922 8.088 1.00 0.00 WT1 H ATOM 21445 OH2 TIP3 7329 -6.644 2.982 -1.920 1.00 0.00 WT1 O ATOM 21446 H1 TIP3 7329 5.315 5.022 5.049 1.00 0.00 WT1 H ATOM 21447 H2 TIP3 7329 -7.110 3.748 -2.388 1.00 0.00 WT1 H ATOM 21448 OH2 TIP3 7330 -4.097 -3.533 3.134 1.00 0.00 WT1 O ATOM 21449 H1 TIP3 7330 -7.618 -5.262 -3.927 1.00 0.00 WT1 H ATOM 21450 H2 TIP3 7330 -7.270 -6.844 2.746 1.00 0.00 WT1 H ATOM 21451 OH2 TIP3 7331 -1.785 3.853 5.348 1.00 0.00 WT1 O ATOM 21452 H1 TIP3 7331 6.309 -7.778 13.422 1.00 0.00 WT1 H ATOM 21453 H2 TIP3 7331 14.470 13.297 18.940 1.00 0.00 WT1 H ATOM 21454 OH2 TIP3 7332 1.263 0.304 3.240 1.00 0.00 WT1 O ATOM 21455 H1 TIP3 7332 -15.335 -8.677 -24.165 1.00 0.00 WT1 H ATOM 21456 H2 TIP3 7332 4.312 3.916 19.328 1.00 0.00 WT1 H ATOM 21457 OH2 TIP3 7333 1.799 -2.504 5.903 1.00 0.00 WT1 O ATOM 21458 H1 TIP3 7333 -0.905 -13.202 8.940 1.00 0.00 WT1 H ATOM 21459 H2 TIP3 7333 9.542 27.040 -2.237 1.00 0.00 WT1 H ATOM 21460 OH2 TIP3 7334 -0.866 1.419 3.090 1.00 0.00 WT1 O ATOM 21461 H1 TIP3 7334 4.942 -4.261 -2.094 1.00 0.00 WT1 H ATOM 21462 H2 TIP3 7334 -8.711 -6.367 6.679 1.00 0.00 WT1 H ATOM 21463 OH2 TIP3 7335 -3.320 -1.338 0.830 1.00 0.00 WT1 O ATOM 21464 H1 TIP3 7335 -7.352 10.042 1.548 1.00 0.00 WT1 H ATOM 21465 H2 TIP3 7335 -12.547 0.962 -10.762 1.00 0.00 WT1 H ATOM 21466 OH2 TIP3 7336 4.613 3.797 7.538 1.00 0.00 WT1 O ATOM 21467 H1 TIP3 7336 12.534 -3.829 -5.468 1.00 0.00 WT1 H ATOM 21468 H2 TIP3 7336 -9.022 1.881 17.242 1.00 0.00 WT1 H ATOM 21469 OH2 TIP3 7337 7.236 -2.216 -0.512 1.00 0.00 WT1 O ATOM 21470 H1 TIP3 7337 16.441 -8.483 -12.473 1.00 0.00 WT1 H ATOM 21471 H2 TIP3 7337 1.795 -0.727 6.299 1.00 0.00 WT1 H ATOM 21472 OH2 TIP3 7338 -2.029 2.642 -1.668 1.00 0.00 WT1 O ATOM 21473 H1 TIP3 7338 1.544 31.041 -38.965 1.00 0.00 WT1 H ATOM 21474 H2 TIP3 7338 21.873 6.982 -10.172 1.00 0.00 WT1 H ATOM 21475 OH2 TIP3 7339 -1.585 3.778 -5.554 1.00 0.00 WT1 O ATOM 21476 H1 TIP3 7339 -3.742 2.345 -13.400 1.00 0.00 WT1 H ATOM 21477 H2 TIP3 7339 0.682 3.632 -2.218 1.00 0.00 WT1 H ATOM 21478 OH2 TIP3 7340 -8.641 0.343 -1.142 1.00 0.00 WT1 O ATOM 21479 H1 TIP3 7340 -11.897 20.466 -15.686 1.00 0.00 WT1 H ATOM 21480 H2 TIP3 7340 -5.134 -5.671 -5.876 1.00 0.00 WT1 H ATOM 21481 OH2 TIP3 7342 -4.408 -7.872 -0.982 1.00 0.00 WT1 O ATOM 21482 H1 TIP3 7342 -5.293 -16.685 -7.593 1.00 0.00 WT1 H ATOM 21483 H2 TIP3 7342 -3.462 -10.905 -4.537 1.00 0.00 WT1 H ATOM 21484 OH2 TIP3 7343 -4.504 -0.763 4.491 1.00 0.00 WT1 O ATOM 21485 H1 TIP3 7343 -8.917 -1.514 -2.060 1.00 0.00 WT1 H ATOM 21486 H2 TIP3 7343 -3.823 0.600 7.311 1.00 0.00 WT1 H ATOM 21487 OH2 TIP3 7344 -7.868 -0.630 -2.225 1.00 0.00 WT1 O ATOM 21488 H1 TIP3 7344 -5.838 2.618 -3.929 1.00 0.00 WT1 H ATOM 21489 H2 TIP3 7344 -7.617 -0.560 1.435 1.00 0.00 WT1 H ATOM 21490 OH2 TIP3 7346 1.484 -2.676 -1.434 1.00 0.00 WT1 O ATOM 21491 H1 TIP3 7346 7.943 -15.644 -1.145 1.00 0.00 WT1 H ATOM 21492 H2 TIP3 7346 10.484 -13.600 -4.621 1.00 0.00 WT1 H ATOM 21493 OH2 TIP3 7348 -3.279 0.262 5.086 1.00 0.00 WT1 O ATOM 21494 H1 TIP3 7348 5.479 7.374 -9.333 1.00 0.00 WT1 H ATOM 21495 H2 TIP3 7348 -5.535 -0.514 8.536 1.00 0.00 WT1 H ATOM 21496 OH2 TIP3 7350 -0.079 -0.644 -2.927 1.00 0.00 WT1 O ATOM 21497 H1 TIP3 7350 -11.113 0.802 3.186 1.00 0.00 WT1 H ATOM 21498 H2 TIP3 7350 -1.760 6.517 -10.714 1.00 0.00 WT1 H ATOM 21499 OH2 TIP3 7351 -7.465 4.920 -0.533 1.00 0.00 WT1 O ATOM 21500 H1 TIP3 7351 3.125 -5.641 11.656 1.00 0.00 WT1 H ATOM 21501 H2 TIP3 7351 5.086 -6.032 -15.264 1.00 0.00 WT1 H ATOM 21502 OH2 TIP3 7352 9.855 -1.469 -1.905 1.00 0.00 WT1 O ATOM 21503 H1 TIP3 7352 3.165 -3.859 1.443 1.00 0.00 WT1 H ATOM 21504 H2 TIP3 7352 -3.665 -15.703 -14.396 1.00 0.00 WT1 H ATOM 21505 OH2 TIP3 7353 -0.542 -1.834 3.835 1.00 0.00 WT1 O ATOM 21506 H1 TIP3 7353 -2.848 -29.166 34.852 1.00 0.00 WT1 H ATOM 21507 H2 TIP3 7353 9.945 -1.185 17.843 1.00 0.00 WT1 H ATOM 21508 OH2 TIP3 7354 -6.519 1.515 -5.589 1.00 0.00 WT1 O ATOM 21509 H1 TIP3 7354 -13.638 -0.423 -1.626 1.00 0.00 WT1 H ATOM 21510 H2 TIP3 7354 15.470 5.799 -19.163 1.00 0.00 WT1 H ATOM 21511 OH2 TIP3 7355 -0.296 -12.769 -5.002 1.00 0.00 WT1 O ATOM 21512 H1 TIP3 7355 0.493 -3.681 -5.445 1.00 0.00 WT1 H ATOM 21513 H2 TIP3 7355 -5.301 6.372 -3.185 1.00 0.00 WT1 H ATOM 21514 OH2 TIP3 7356 0.814 -1.541 4.571 1.00 0.00 WT1 O ATOM 21515 H1 TIP3 7356 19.151 11.214 12.678 1.00 0.00 WT1 H ATOM 21516 H2 TIP3 7356 10.163 -17.706 -19.194 1.00 0.00 WT1 H ATOM 21517 OH2 TIP3 7357 3.123 -0.876 0.166 1.00 0.00 WT1 O ATOM 21518 H1 TIP3 7357 -25.969 -1.720 15.452 1.00 0.00 WT1 H ATOM 21519 H2 TIP3 7357 -2.922 -11.205 -29.772 1.00 0.00 WT1 H ATOM 21520 OH2 TIP3 7358 6.190 1.129 -2.370 1.00 0.00 WT1 O ATOM 21521 H1 TIP3 7358 14.637 18.576 -22.888 1.00 0.00 WT1 H ATOM 21522 H2 TIP3 7358 -9.105 -1.044 -16.037 1.00 0.00 WT1 H ATOM 21523 OH2 TIP3 7359 3.167 9.860 0.431 1.00 0.00 WT1 O ATOM 21524 H1 TIP3 7359 24.201 -3.552 4.654 1.00 0.00 WT1 H ATOM 21525 H2 TIP3 7359 34.144 -7.876 15.611 1.00 0.00 WT1 H ATOM 21526 OH2 TIP3 7360 1.643 2.683 -2.689 1.00 0.00 WT1 O ATOM 21527 H1 TIP3 7360 -7.364 4.855 -7.717 1.00 0.00 WT1 H ATOM 21528 H2 TIP3 7360 3.183 -6.592 -2.562 1.00 0.00 WT1 H ATOM 21529 OH2 TIP3 7362 -1.602 -5.627 -7.665 1.00 0.00 WT1 O ATOM 21530 H1 TIP3 7362 -0.843 -6.108 -6.405 1.00 0.00 WT1 H ATOM 21531 H2 TIP3 7362 4.176 -12.560 -8.111 1.00 0.00 WT1 H ATOM 21532 OH2 TIP3 7363 -0.951 -1.673 4.329 1.00 0.00 WT1 O ATOM 21533 H1 TIP3 7363 -9.256 -6.027 12.801 1.00 0.00 WT1 H ATOM 21534 H2 TIP3 7363 20.773 1.390 -2.330 1.00 0.00 WT1 H ATOM 21535 OH2 TIP3 7364 12.904 -8.678 -3.511 1.00 0.00 WT1 O ATOM 21536 H1 TIP3 7364 7.293 0.084 -11.656 1.00 0.00 WT1 H ATOM 21537 H2 TIP3 7364 21.439 -3.435 25.909 1.00 0.00 WT1 H ATOM 21538 OH2 TIP3 7365 3.002 1.691 1.125 1.00 0.00 WT1 O ATOM 21539 H1 TIP3 7365 -0.877 -0.619 5.519 1.00 0.00 WT1 H ATOM 21540 H2 TIP3 7365 12.053 -6.638 -0.738 1.00 0.00 WT1 H ATOM 21541 OH2 TIP3 7366 -3.573 -2.005 -4.304 1.00 0.00 WT1 O ATOM 21542 H1 TIP3 7366 0.733 -5.276 8.123 1.00 0.00 WT1 H ATOM 21543 H2 TIP3 7366 -10.145 10.484 -2.050 1.00 0.00 WT1 H ATOM 21544 OH2 TIP3 7367 -0.955 -2.630 0.219 1.00 0.00 WT1 O ATOM 21545 H1 TIP3 7367 -2.676 0.966 -4.466 1.00 0.00 WT1 H ATOM 21546 H2 TIP3 7367 1.291 -0.307 -2.909 1.00 0.00 WT1 H ATOM 21547 OH2 TIP3 7369 3.948 2.160 -3.716 1.00 0.00 WT1 O ATOM 21548 H1 TIP3 7369 -8.652 0.414 -6.829 1.00 0.00 WT1 H ATOM 21549 H2 TIP3 7369 3.750 4.477 13.121 1.00 0.00 WT1 H ATOM 21550 OH2 TIP3 7370 -0.285 4.733 5.103 1.00 0.00 WT1 O ATOM 21551 H1 TIP3 7370 7.196 -15.668 -26.677 1.00 0.00 WT1 H ATOM 21552 H2 TIP3 7370 19.987 22.573 4.748 1.00 0.00 WT1 H ATOM 21553 OH2 TIP3 7371 -6.104 1.833 -1.165 1.00 0.00 WT1 O ATOM 21554 H1 TIP3 7371 -19.751 -21.982 -10.558 1.00 0.00 WT1 H ATOM 21555 H2 TIP3 7371 2.090 -6.588 14.259 1.00 0.00 WT1 H ATOM 21556 OH2 TIP3 7372 3.278 -0.405 -0.397 1.00 0.00 WT1 O ATOM 21557 H1 TIP3 7372 -8.494 7.504 12.134 1.00 0.00 WT1 H ATOM 21558 H2 TIP3 7372 10.124 -4.784 -6.878 1.00 0.00 WT1 H ATOM 21559 OH2 TIP3 7373 2.020 1.618 -1.521 1.00 0.00 WT1 O ATOM 21560 H1 TIP3 7373 4.664 -7.308 0.258 1.00 0.00 WT1 H ATOM 21561 H2 TIP3 7373 11.083 7.970 2.287 1.00 0.00 WT1 H ATOM 21562 OH2 TIP3 7374 3.674 6.663 4.598 1.00 0.00 WT1 O ATOM 21563 H1 TIP3 7374 5.950 16.094 11.414 1.00 0.00 WT1 H ATOM 21564 H2 TIP3 7374 -3.186 11.573 -7.866 1.00 0.00 WT1 H ATOM 21565 OH2 TIP3 7376 0.203 -3.767 -0.033 1.00 0.00 WT1 O ATOM 21566 H1 TIP3 7376 -9.061 -4.765 -1.593 1.00 0.00 WT1 H ATOM 21567 H2 TIP3 7376 -18.056 -5.707 -4.080 1.00 0.00 WT1 H ATOM 21568 OH2 TIP3 7378 1.970 -3.507 -4.480 1.00 0.00 WT1 O ATOM 21569 H1 TIP3 7378 -7.322 0.477 -16.985 1.00 0.00 WT1 H ATOM 21570 H2 TIP3 7378 -1.149 5.904 -8.991 1.00 0.00 WT1 H ATOM 21571 OH2 TIP3 7379 0.214 -3.119 4.226 1.00 0.00 WT1 O ATOM 21572 H1 TIP3 7379 -12.607 -2.026 7.159 1.00 0.00 WT1 H ATOM 21573 H2 TIP3 7379 11.515 -0.692 7.152 1.00 0.00 WT1 H ATOM 21574 OH2 TIP3 7380 -8.726 0.239 6.586 1.00 0.00 WT1 O ATOM 21575 H1 TIP3 7380 -4.975 -10.707 6.493 1.00 0.00 WT1 H ATOM 21576 H2 TIP3 7380 0.656 6.586 7.009 1.00 0.00 WT1 H ATOM 21577 OH2 TIP3 7381 0.758 1.608 -3.660 1.00 0.00 WT1 O ATOM 21578 H1 TIP3 7381 -8.149 -6.755 4.663 1.00 0.00 WT1 H ATOM 21579 H2 TIP3 7381 11.766 -7.979 -9.670 1.00 0.00 WT1 H ATOM 21580 OH2 TIP3 7382 1.747 0.464 -1.557 1.00 0.00 WT1 O ATOM 21581 H1 TIP3 7382 -16.249 0.770 -24.083 1.00 0.00 WT1 H ATOM 21582 H2 TIP3 7382 -6.443 12.863 32.700 1.00 0.00 WT1 H ATOM 21583 OH2 TIP3 7383 -3.627 -0.024 2.148 1.00 0.00 WT1 O ATOM 21584 H1 TIP3 7383 4.396 4.206 12.897 1.00 0.00 WT1 H ATOM 21585 H2 TIP3 7383 -4.478 0.316 6.270 1.00 0.00 WT1 H ATOM 21586 OH2 TIP3 7384 8.545 5.029 -6.003 1.00 0.00 WT1 O ATOM 21587 H1 TIP3 7384 9.174 -4.890 -1.540 1.00 0.00 WT1 H ATOM 21588 H2 TIP3 7384 -4.555 7.983 8.785 1.00 0.00 WT1 H ATOM 21589 OH2 TIP3 7385 0.666 -1.468 1.076 1.00 0.00 WT1 O ATOM 21590 H1 TIP3 7385 7.448 10.870 -6.329 1.00 0.00 WT1 H ATOM 21591 H2 TIP3 7385 12.319 -8.879 5.897 1.00 0.00 WT1 H ATOM 21592 OH2 TIP3 7387 -0.229 -3.839 1.286 1.00 0.00 WT1 O ATOM 21593 H1 TIP3 7387 -15.837 -12.079 2.691 1.00 0.00 WT1 H ATOM 21594 H2 TIP3 7387 15.235 -12.063 22.014 1.00 0.00 WT1 H ATOM 21595 OH2 TIP3 7388 -5.438 0.334 1.960 1.00 0.00 WT1 O ATOM 21596 H1 TIP3 7388 -3.735 9.366 -6.370 1.00 0.00 WT1 H ATOM 21597 H2 TIP3 7388 -8.379 4.298 5.646 1.00 0.00 WT1 H ATOM 21598 OH2 TIP3 7389 0.271 0.212 1.793 1.00 0.00 WT1 O ATOM 21599 H1 TIP3 7389 -0.236 -5.263 -12.485 1.00 0.00 WT1 H ATOM 21600 H2 TIP3 7389 -9.135 13.176 19.421 1.00 0.00 WT1 H ATOM 21601 OH2 TIP3 7390 0.439 3.241 4.572 1.00 0.00 WT1 O ATOM 21602 H1 TIP3 7390 -11.249 14.744 13.480 1.00 0.00 WT1 H ATOM 21603 H2 TIP3 7390 7.184 -21.520 7.321 1.00 0.00 WT1 H ATOM 21604 OH2 TIP3 7391 0.168 5.119 5.455 1.00 0.00 WT1 O ATOM 21605 H1 TIP3 7391 9.085 -15.353 -8.889 1.00 0.00 WT1 H ATOM 21606 H2 TIP3 7391 5.110 -8.713 -5.674 1.00 0.00 WT1 H ATOM 21607 OH2 TIP3 7392 4.211 -2.276 -5.193 1.00 0.00 WT1 O ATOM 21608 H1 TIP3 7392 7.123 -13.795 -3.577 1.00 0.00 WT1 H ATOM 21609 H2 TIP3 7392 11.542 10.587 4.344 1.00 0.00 WT1 H ATOM 21610 OH2 TIP3 7393 2.290 -1.074 3.124 1.00 0.00 WT1 O ATOM 21611 H1 TIP3 7393 -4.323 -1.017 22.217 1.00 0.00 WT1 H ATOM 21612 H2 TIP3 7393 2.394 6.260 -26.259 1.00 0.00 WT1 H ATOM 21613 OH2 TIP3 7394 -0.936 3.280 3.933 1.00 0.00 WT1 O ATOM 21614 H1 TIP3 7394 -3.388 0.777 12.937 1.00 0.00 WT1 H ATOM 21615 H2 TIP3 7394 -2.997 -10.941 -2.138 1.00 0.00 WT1 H ATOM 21616 OH2 TIP3 7395 2.571 -5.069 4.157 1.00 0.00 WT1 O ATOM 21617 H1 TIP3 7395 3.894 -18.299 -2.945 1.00 0.00 WT1 H ATOM 21618 H2 TIP3 7395 -10.180 -6.167 -2.328 1.00 0.00 WT1 H ATOM 21619 OH2 TIP3 7396 -3.879 2.385 -2.399 1.00 0.00 WT1 O ATOM 21620 H1 TIP3 7396 35.815 -22.892 0.950 1.00 0.00 WT1 H ATOM 21621 H2 TIP3 7396 8.622 -5.770 -0.679 1.00 0.00 WT1 H ATOM 21622 OH2 TIP3 7397 -4.452 5.300 -2.058 1.00 0.00 WT1 O ATOM 21623 H1 TIP3 7397 22.548 19.159 -8.479 1.00 0.00 WT1 H ATOM 21624 H2 TIP3 7397 15.421 30.309 1.257 1.00 0.00 WT1 H ATOM 21625 OH2 TIP3 7398 -0.718 -1.560 0.687 1.00 0.00 WT1 O ATOM 21626 H1 TIP3 7398 5.737 0.470 -0.754 1.00 0.00 WT1 H ATOM 21627 H2 TIP3 7398 11.028 3.936 1.633 1.00 0.00 WT1 H ATOM 21628 OH2 TIP3 7399 0.286 1.017 0.821 1.00 0.00 WT1 O ATOM 21629 H1 TIP3 7399 -6.824 -4.168 -14.981 1.00 0.00 WT1 H ATOM 21630 H2 TIP3 7399 0.542 1.319 -1.434 1.00 0.00 WT1 H ATOM 21631 OH2 TIP3 7400 7.429 -4.366 6.300 1.00 0.00 WT1 O ATOM 21632 H1 TIP3 7400 14.278 -0.810 -1.908 1.00 0.00 WT1 H ATOM 21633 H2 TIP3 7400 23.336 6.069 -19.945 1.00 0.00 WT1 H ATOM 21634 OH2 TIP3 7401 -1.720 -3.986 2.176 1.00 0.00 WT1 O ATOM 21635 H1 TIP3 7401 -10.527 -2.736 -1.943 1.00 0.00 WT1 H ATOM 21636 H2 TIP3 7401 -5.276 -10.596 18.640 1.00 0.00 WT1 H ATOM 21637 OH2 TIP3 7403 -0.758 0.586 -5.642 1.00 0.00 WT1 O ATOM 21638 H1 TIP3 7403 8.113 17.585 -16.397 1.00 0.00 WT1 H ATOM 21639 H2 TIP3 7403 -23.452 15.952 3.259 1.00 0.00 WT1 H ATOM 21640 OH2 TIP3 7408 1.957 -3.753 -2.334 1.00 0.00 WT1 O ATOM 21641 H1 TIP3 7408 -6.300 -20.959 -16.901 1.00 0.00 WT1 H ATOM 21642 H2 TIP3 7408 1.517 27.978 -5.203 1.00 0.00 WT1 H ATOM 21643 OH2 TIP3 7409 5.045 3.596 -3.219 1.00 0.00 WT1 O ATOM 21644 H1 TIP3 7409 16.404 -10.716 -27.428 1.00 0.00 WT1 H ATOM 21645 H2 TIP3 7409 -19.591 10.351 -6.968 1.00 0.00 WT1 H ATOM 21646 OH2 TIP3 7410 -1.373 -1.305 -4.569 1.00 0.00 WT1 O ATOM 21647 H1 TIP3 7410 -2.850 -0.634 -4.139 1.00 0.00 WT1 H ATOM 21648 H2 TIP3 7410 1.547 -9.191 -8.935 1.00 0.00 WT1 H ATOM 21649 OH2 TIP3 7411 6.829 -2.133 0.093 1.00 0.00 WT1 O ATOM 21650 H1 TIP3 7411 13.652 -1.306 0.016 1.00 0.00 WT1 H ATOM 21651 H2 TIP3 7411 -0.345 8.038 -12.324 1.00 0.00 WT1 H ATOM 21652 OH2 TIP3 7412 -0.957 -2.007 3.174 1.00 0.00 WT1 O ATOM 21653 H1 TIP3 7412 -5.524 7.682 0.134 1.00 0.00 WT1 H ATOM 21654 H2 TIP3 7412 0.224 -5.042 -0.468 1.00 0.00 WT1 H ATOM 21655 OH2 TIP3 7413 0.684 3.340 3.039 1.00 0.00 WT1 O ATOM 21656 H1 TIP3 7413 12.533 40.352 7.213 1.00 0.00 WT1 H ATOM 21657 H2 TIP3 7413 -31.938 -7.252 23.965 1.00 0.00 WT1 H ATOM 21658 OH2 TIP3 7414 -7.802 2.282 -4.191 1.00 0.00 WT1 O ATOM 21659 H1 TIP3 7414 1.657 9.968 0.322 1.00 0.00 WT1 H ATOM 21660 H2 TIP3 7414 -0.801 -4.746 -8.607 1.00 0.00 WT1 H ATOM 21661 OH2 TIP3 7415 -7.230 -2.209 3.077 1.00 0.00 WT1 O ATOM 21662 H1 TIP3 7415 -5.076 -2.862 3.604 1.00 0.00 WT1 H ATOM 21663 H2 TIP3 7415 -26.079 17.667 -9.861 1.00 0.00 WT1 H ATOM 21664 OH2 TIP3 7416 -3.068 0.218 1.940 1.00 0.00 WT1 O ATOM 21665 H1 TIP3 7416 -2.550 -5.908 -31.798 1.00 0.00 WT1 H ATOM 21666 H2 TIP3 7416 9.021 -18.674 -10.952 1.00 0.00 WT1 H ATOM 21667 OH2 TIP3 7417 2.540 -5.143 0.545 1.00 0.00 WT1 O ATOM 21668 H1 TIP3 7417 -1.321 -0.914 -6.060 1.00 0.00 WT1 H ATOM 21669 H2 TIP3 7417 -3.336 -7.126 -2.804 1.00 0.00 WT1 H ATOM 21670 OH2 TIP3 7418 2.349 -6.895 -2.945 1.00 0.00 WT1 O ATOM 21671 H1 TIP3 7418 -6.469 -18.561 -12.873 1.00 0.00 WT1 H ATOM 21672 H2 TIP3 7418 -14.766 0.145 3.626 1.00 0.00 WT1 H ATOM 21673 OH2 TIP3 7419 -2.361 -5.429 3.595 1.00 0.00 WT1 O ATOM 21674 H1 TIP3 7419 5.211 -17.389 4.386 1.00 0.00 WT1 H ATOM 21675 H2 TIP3 7419 -2.659 -3.559 1.732 1.00 0.00 WT1 H ATOM 21676 OH2 TIP3 7420 -2.360 -1.707 -0.183 1.00 0.00 WT1 O ATOM 21677 H1 TIP3 7420 9.916 -6.973 -4.019 1.00 0.00 WT1 H ATOM 21678 H2 TIP3 7420 15.988 -14.901 -0.532 1.00 0.00 WT1 H ATOM 21679 OH2 TIP3 7421 -1.531 -0.991 -0.551 1.00 0.00 WT1 O ATOM 21680 H1 TIP3 7421 -5.613 -4.142 -12.636 1.00 0.00 WT1 H ATOM 21681 H2 TIP3 7421 -21.915 -25.372 35.405 1.00 0.00 WT1 H ATOM 21682 OH2 TIP3 7422 -1.396 1.803 11.779 1.00 0.00 WT1 O ATOM 21683 H1 TIP3 7422 18.327 -0.932 0.268 1.00 0.00 WT1 H ATOM 21684 H2 TIP3 7422 -13.621 -9.102 2.731 1.00 0.00 WT1 H ATOM 21685 OH2 TIP3 7423 -2.796 -5.282 -3.528 1.00 0.00 WT1 O ATOM 21686 H1 TIP3 7423 19.895 -12.464 2.339 1.00 0.00 WT1 H ATOM 21687 H2 TIP3 7423 7.116 -18.330 -2.383 1.00 0.00 WT1 H ATOM 21688 OH2 TIP3 7424 -1.088 0.074 -0.368 1.00 0.00 WT1 O ATOM 21689 H1 TIP3 7424 -1.496 -8.531 8.732 1.00 0.00 WT1 H ATOM 21690 H2 TIP3 7424 11.493 -4.080 -12.081 1.00 0.00 WT1 H ATOM 21691 OH2 TIP3 7426 -2.740 -0.195 -1.236 1.00 0.00 WT1 O ATOM 21692 H1 TIP3 7426 -13.448 2.739 7.033 1.00 0.00 WT1 H ATOM 21693 H2 TIP3 7426 3.431 4.814 -10.258 1.00 0.00 WT1 H ATOM 21694 OH2 TIP3 7427 2.972 1.019 1.897 1.00 0.00 WT1 O ATOM 21695 H1 TIP3 7427 -2.804 6.041 18.263 1.00 0.00 WT1 H ATOM 21696 H2 TIP3 7427 7.767 -11.414 3.151 1.00 0.00 WT1 H ATOM 21697 OH2 TIP3 7428 -3.745 0.311 -0.903 1.00 0.00 WT1 O ATOM 21698 H1 TIP3 7428 1.237 16.724 17.528 1.00 0.00 WT1 H ATOM 21699 H2 TIP3 7428 0.537 12.147 -20.420 1.00 0.00 WT1 H ATOM 21700 OH2 TIP3 7429 -0.496 0.373 -3.953 1.00 0.00 WT1 O ATOM 21701 H1 TIP3 7429 10.922 -7.892 2.252 1.00 0.00 WT1 H ATOM 21702 H2 TIP3 7429 -9.187 -23.894 7.321 1.00 0.00 WT1 H ATOM 21703 OH2 TIP3 7430 -3.705 5.552 -9.446 1.00 0.00 WT1 O ATOM 21704 H1 TIP3 7430 -1.362 -0.849 -6.864 1.00 0.00 WT1 H ATOM 21705 H2 TIP3 7430 -0.868 6.463 -16.453 1.00 0.00 WT1 H ATOM 21706 OH2 TIP3 7431 -6.647 -4.195 -3.691 1.00 0.00 WT1 O ATOM 21707 H1 TIP3 7431 10.814 -7.725 0.344 1.00 0.00 WT1 H ATOM 21708 H2 TIP3 7431 -24.121 -3.870 -11.700 1.00 0.00 WT1 H ATOM 21709 OH2 TIP3 7432 -3.030 -5.301 -6.657 1.00 0.00 WT1 O ATOM 21710 H1 TIP3 7432 -3.024 -15.682 -34.060 1.00 0.00 WT1 H ATOM 21711 H2 TIP3 7432 -3.803 25.710 -16.805 1.00 0.00 WT1 H ATOM 21712 OH2 TIP3 7433 -0.280 -4.322 -2.204 1.00 0.00 WT1 O ATOM 21713 H1 TIP3 7433 8.943 -4.022 -5.702 1.00 0.00 WT1 H ATOM 21714 H2 TIP3 7433 7.130 -2.054 9.722 1.00 0.00 WT1 H ATOM 21715 OH2 TIP3 7434 3.509 5.225 4.459 1.00 0.00 WT1 O ATOM 21716 H1 TIP3 7434 4.158 3.369 1.079 1.00 0.00 WT1 H ATOM 21717 H2 TIP3 7434 -7.166 0.934 -3.143 1.00 0.00 WT1 H ATOM 21718 OH2 TIP3 7435 -4.685 0.432 -2.938 1.00 0.00 WT1 O ATOM 21719 H1 TIP3 7435 -4.810 0.040 -1.471 1.00 0.00 WT1 H ATOM 21720 H2 TIP3 7435 -21.424 -2.507 -0.185 1.00 0.00 WT1 H ATOM 21721 OH2 TIP3 7436 -4.622 -3.767 2.782 1.00 0.00 WT1 O ATOM 21722 H1 TIP3 7436 4.825 -13.589 -7.289 1.00 0.00 WT1 H ATOM 21723 H2 TIP3 7436 -13.174 0.322 -30.480 1.00 0.00 WT1 H ATOM 21724 OH2 TIP3 7437 2.833 -2.271 0.748 1.00 0.00 WT1 O ATOM 21725 H1 TIP3 7437 -6.176 10.519 -17.756 1.00 0.00 WT1 H ATOM 21726 H2 TIP3 7437 -4.074 10.534 15.428 1.00 0.00 WT1 H ATOM 21727 OH2 TIP3 7439 -1.314 -5.363 -0.578 1.00 0.00 WT1 O ATOM 21728 H1 TIP3 7439 -4.015 3.812 -8.455 1.00 0.00 WT1 H ATOM 21729 H2 TIP3 7439 -1.636 -0.616 -3.558 1.00 0.00 WT1 H ATOM 21730 OH2 TIP3 7440 -1.348 0.317 2.347 1.00 0.00 WT1 O ATOM 21731 H1 TIP3 7440 -2.850 -7.424 -9.126 1.00 0.00 WT1 H ATOM 21732 H2 TIP3 7440 0.854 13.600 17.142 1.00 0.00 WT1 H ATOM 21733 OH2 TIP3 7441 2.505 0.671 1.728 1.00 0.00 WT1 O ATOM 21734 H1 TIP3 7441 -1.642 -3.775 -7.174 1.00 0.00 WT1 H ATOM 21735 H2 TIP3 7441 0.501 -1.897 3.463 1.00 0.00 WT1 H ATOM 21736 OH2 TIP3 7442 1.228 2.999 -3.055 1.00 0.00 WT1 O ATOM 21737 H1 TIP3 7442 -1.066 7.462 -7.501 1.00 0.00 WT1 H ATOM 21738 H2 TIP3 7442 2.188 5.438 -5.461 1.00 0.00 WT1 H ATOM 21739 OH2 TIP3 7443 0.812 1.154 -1.348 1.00 0.00 WT1 O ATOM 21740 H1 TIP3 7443 -14.108 10.748 -6.491 1.00 0.00 WT1 H ATOM 21741 H2 TIP3 7443 3.535 10.366 12.489 1.00 0.00 WT1 H ATOM 21742 OH2 TIP3 7445 -3.811 1.723 3.960 1.00 0.00 WT1 O ATOM 21743 H1 TIP3 7445 20.847 6.584 5.501 1.00 0.00 WT1 H ATOM 21744 H2 TIP3 7445 22.249 12.987 25.864 1.00 0.00 WT1 H ATOM 21745 OH2 TIP3 7447 -1.183 3.007 1.746 1.00 0.00 WT1 O ATOM 21746 H1 TIP3 7447 9.324 -0.531 -1.310 1.00 0.00 WT1 H ATOM 21747 H2 TIP3 7447 -12.672 7.893 15.519 1.00 0.00 WT1 H ATOM 21748 OH2 TIP3 7448 -6.767 4.312 0.592 1.00 0.00 WT1 O ATOM 21749 H1 TIP3 7448 -6.077 4.950 -1.754 1.00 0.00 WT1 H ATOM 21750 H2 TIP3 7448 -6.685 1.947 2.672 1.00 0.00 WT1 H ATOM 21751 OH2 TIP3 7450 -1.394 6.304 -0.311 1.00 0.00 WT1 O ATOM 21752 H1 TIP3 7450 5.836 17.215 -2.174 1.00 0.00 WT1 H ATOM 21753 H2 TIP3 7450 6.816 10.830 -12.059 1.00 0.00 WT1 H ATOM 21754 OH2 TIP3 7451 -3.899 -4.329 2.936 1.00 0.00 WT1 O ATOM 21755 H1 TIP3 7451 0.723 -4.506 5.167 1.00 0.00 WT1 H ATOM 21756 H2 TIP3 7451 -23.471 -3.669 -10.339 1.00 0.00 WT1 H ATOM 21757 OH2 TIP3 7452 2.329 -2.500 0.373 1.00 0.00 WT1 O ATOM 21758 H1 TIP3 7452 7.345 -2.359 2.221 1.00 0.00 WT1 H ATOM 21759 H2 TIP3 7452 -0.939 -1.408 -5.020 1.00 0.00 WT1 H ATOM 21760 OH2 TIP3 7454 -8.926 1.106 -1.064 1.00 0.00 WT1 O ATOM 21761 H1 TIP3 7454 2.546 -8.186 9.204 1.00 0.00 WT1 H ATOM 21762 H2 TIP3 7454 12.383 -11.826 8.080 1.00 0.00 WT1 H ATOM 21763 OH2 TIP3 7455 6.363 3.955 2.108 1.00 0.00 WT1 O ATOM 21764 H1 TIP3 7455 2.751 -24.430 -19.754 1.00 0.00 WT1 H ATOM 21765 H2 TIP3 7455 -23.548 5.739 5.810 1.00 0.00 WT1 H ATOM 21766 OH2 TIP3 7456 4.138 -1.928 0.956 1.00 0.00 WT1 O ATOM 21767 H1 TIP3 7456 6.496 -4.912 -5.502 1.00 0.00 WT1 H ATOM 21768 H2 TIP3 7456 -2.176 4.572 0.271 1.00 0.00 WT1 H ATOM 21769 OH2 TIP3 7457 6.019 1.105 4.270 1.00 0.00 WT1 O ATOM 21770 H1 TIP3 7457 -16.365 -16.046 17.651 1.00 0.00 WT1 H ATOM 21771 H2 TIP3 7457 -8.825 -12.319 0.568 1.00 0.00 WT1 H ATOM 21772 OH2 TIP3 7458 2.845 2.854 -8.136 1.00 0.00 WT1 O ATOM 21773 H1 TIP3 7458 4.387 2.033 -7.030 1.00 0.00 WT1 H ATOM 21774 H2 TIP3 7458 4.603 2.796 -6.756 1.00 0.00 WT1 H ATOM 21775 OH2 TIP3 7459 2.351 0.237 2.625 1.00 0.00 WT1 O ATOM 21776 H1 TIP3 7459 0.192 -13.199 -14.673 1.00 0.00 WT1 H ATOM 21777 H2 TIP3 7459 5.136 3.225 7.814 1.00 0.00 WT1 H ATOM 21778 OH2 TIP3 7461 2.401 0.930 -2.661 1.00 0.00 WT1 O ATOM 21779 H1 TIP3 7461 9.898 -15.934 2.634 1.00 0.00 WT1 H ATOM 21780 H2 TIP3 7461 -3.212 6.174 13.288 1.00 0.00 WT1 H ATOM 21781 OH2 TIP3 7462 2.426 -1.329 -0.492 1.00 0.00 WT1 O ATOM 21782 H1 TIP3 7462 4.362 -2.486 -1.606 1.00 0.00 WT1 H ATOM 21783 H2 TIP3 7462 11.540 -0.755 1.110 1.00 0.00 WT1 H ATOM 21784 OH2 TIP3 7463 -4.702 -4.668 1.906 1.00 0.00 WT1 O ATOM 21785 H1 TIP3 7463 14.790 -17.843 23.910 1.00 0.00 WT1 H ATOM 21786 H2 TIP3 7463 -20.138 -3.947 9.971 1.00 0.00 WT1 H ATOM 21787 OH2 TIP3 7464 -3.867 -2.214 1.869 1.00 0.00 WT1 O ATOM 21788 H1 TIP3 7464 15.955 1.806 -7.027 1.00 0.00 WT1 H ATOM 21789 H2 TIP3 7464 5.945 -2.899 -8.881 1.00 0.00 WT1 H ATOM 21790 OH2 TIP3 7465 1.778 0.225 4.169 1.00 0.00 WT1 O ATOM 21791 H1 TIP3 7465 11.795 -8.830 4.905 1.00 0.00 WT1 H ATOM 21792 H2 TIP3 7465 12.385 -7.437 3.602 1.00 0.00 WT1 H ATOM 21793 OH2 TIP3 7466 3.422 -3.525 -0.141 1.00 0.00 WT1 O ATOM 21794 H1 TIP3 7466 -6.969 24.537 4.527 1.00 0.00 WT1 H ATOM 21795 H2 TIP3 7466 5.130 17.334 11.805 1.00 0.00 WT1 H ATOM 21796 OH2 TIP3 7467 4.827 0.764 3.559 1.00 0.00 WT1 O ATOM 21797 H1 TIP3 7467 15.458 10.959 -1.851 1.00 0.00 WT1 H ATOM 21798 H2 TIP3 7467 -7.755 9.612 12.376 1.00 0.00 WT1 H ATOM 21799 OH2 TIP3 7468 -4.825 -1.422 2.308 1.00 0.00 WT1 O ATOM 21800 H1 TIP3 7468 12.064 17.086 -16.785 1.00 0.00 WT1 H ATOM 21801 H2 TIP3 7468 -9.100 -21.155 1.238 1.00 0.00 WT1 H ATOM 21802 OH2 TIP3 7469 8.130 -4.640 5.312 1.00 0.00 WT1 O ATOM 21803 H1 TIP3 7469 24.167 0.274 -40.298 1.00 0.00 WT1 H ATOM 21804 H2 TIP3 7469 13.703 -13.206 48.173 1.00 0.00 WT1 H ATOM 21805 OH2 TIP3 7470 -0.910 -3.798 5.471 1.00 0.00 WT1 O ATOM 21806 H1 TIP3 7470 14.037 -0.581 8.886 1.00 0.00 WT1 H ATOM 21807 H2 TIP3 7470 -12.951 -15.565 3.183 1.00 0.00 WT1 H ATOM 21808 OH2 TIP3 7471 -2.090 -4.148 -0.926 1.00 0.00 WT1 O ATOM 21809 H1 TIP3 7471 -5.731 -0.943 10.363 1.00 0.00 WT1 H ATOM 21810 H2 TIP3 7471 6.229 -10.112 -5.320 1.00 0.00 WT1 H ATOM 21811 OH2 TIP3 7472 -2.669 3.835 -5.907 1.00 0.00 WT1 O ATOM 21812 H1 TIP3 7472 -0.977 -2.733 -7.733 1.00 0.00 WT1 H ATOM 21813 H2 TIP3 7472 7.007 -1.511 -9.735 1.00 0.00 WT1 H ATOM 21814 OH2 TIP3 7473 1.087 -1.904 3.549 1.00 0.00 WT1 O ATOM 21815 H1 TIP3 7473 -2.221 6.743 -6.138 1.00 0.00 WT1 H ATOM 21816 H2 TIP3 7473 -3.415 -21.539 1.280 1.00 0.00 WT1 H ATOM 21817 OH2 TIP3 7474 -0.604 -0.350 -5.647 1.00 0.00 WT1 O ATOM 21818 H1 TIP3 7474 12.895 -4.215 -15.875 1.00 0.00 WT1 H ATOM 21819 H2 TIP3 7474 -12.545 6.376 -16.780 1.00 0.00 WT1 H ATOM 21820 OH2 TIP3 7475 -0.711 -2.928 4.510 1.00 0.00 WT1 O ATOM 21821 H1 TIP3 7475 16.380 15.323 -5.766 1.00 0.00 WT1 H ATOM 21822 H2 TIP3 7475 -3.371 21.478 -4.432 1.00 0.00 WT1 H ATOM 21823 OH2 TIP3 7476 -5.623 3.277 0.273 1.00 0.00 WT1 O ATOM 21824 H1 TIP3 7476 -15.322 -23.267 -24.327 1.00 0.00 WT1 H ATOM 21825 H2 TIP3 7476 -11.394 -2.208 -1.704 1.00 0.00 WT1 H ATOM 21826 OH2 TIP3 7477 -0.030 -0.313 3.229 1.00 0.00 WT1 O ATOM 21827 H1 TIP3 7477 0.789 -7.350 -7.641 1.00 0.00 WT1 H ATOM 21828 H2 TIP3 7477 3.389 15.391 4.623 1.00 0.00 WT1 H ATOM 21829 OH2 TIP3 7478 -0.525 7.443 5.678 1.00 0.00 WT1 O ATOM 21830 H1 TIP3 7478 9.203 2.064 15.275 1.00 0.00 WT1 H ATOM 21831 H2 TIP3 7478 -2.136 7.309 5.096 1.00 0.00 WT1 H ATOM 21832 OH2 TIP3 7479 -5.282 -2.077 4.393 1.00 0.00 WT1 O ATOM 21833 H1 TIP3 7479 -6.865 -4.651 3.174 1.00 0.00 WT1 H ATOM 21834 H2 TIP3 7479 -15.516 -25.310 -1.467 1.00 0.00 WT1 H ATOM 21835 OH2 TIP3 7480 1.882 2.756 -1.791 1.00 0.00 WT1 O ATOM 21836 H1 TIP3 7480 -2.088 -1.583 6.528 1.00 0.00 WT1 H ATOM 21837 H2 TIP3 7480 -0.518 4.473 -8.352 1.00 0.00 WT1 H ATOM 21838 OH2 TIP3 7481 7.114 -3.650 -0.224 1.00 0.00 WT1 O ATOM 21839 H1 TIP3 7481 5.843 -2.812 0.042 1.00 0.00 WT1 H ATOM 21840 H2 TIP3 7481 13.239 -0.450 -8.389 1.00 0.00 WT1 H ATOM 21841 OH2 TIP3 7483 -0.025 -1.714 -1.627 1.00 0.00 WT1 O ATOM 21842 H1 TIP3 7483 26.512 11.076 5.805 1.00 0.00 WT1 H ATOM 21843 H2 TIP3 7483 -1.462 -4.107 -5.064 1.00 0.00 WT1 H ATOM 21844 OH2 TIP3 7485 1.555 3.838 3.926 1.00 0.00 WT1 O ATOM 21845 H1 TIP3 7485 -9.296 19.384 5.564 1.00 0.00 WT1 H ATOM 21846 H2 TIP3 7485 14.669 8.274 -8.510 1.00 0.00 WT1 H ATOM 21847 OH2 TIP3 7486 -1.173 3.969 1.158 1.00 0.00 WT1 O ATOM 21848 H1 TIP3 7486 -11.899 0.475 0.464 1.00 0.00 WT1 H ATOM 21849 H2 TIP3 7486 -14.692 -3.275 25.754 1.00 0.00 WT1 H ATOM 21850 OH2 TIP3 7487 1.104 -3.968 -2.437 1.00 0.00 WT1 O ATOM 21851 H1 TIP3 7487 9.893 2.703 -5.963 1.00 0.00 WT1 H ATOM 21852 H2 TIP3 7487 5.571 -13.557 7.554 1.00 0.00 WT1 H ATOM 21853 OH2 TIP3 7489 2.190 4.151 -2.838 1.00 0.00 WT1 O ATOM 21854 H1 TIP3 7489 9.707 8.510 -1.220 1.00 0.00 WT1 H ATOM 21855 H2 TIP3 7489 -7.167 8.731 -22.456 1.00 0.00 WT1 H ATOM 21856 OH2 TIP3 7490 5.784 1.639 -1.994 1.00 0.00 WT1 O ATOM 21857 H1 TIP3 7490 6.956 -5.826 -2.281 1.00 0.00 WT1 H ATOM 21858 H2 TIP3 7490 -7.616 19.776 22.740 1.00 0.00 WT1 H ATOM 21859 OH2 TIP3 7491 6.498 0.841 -1.672 1.00 0.00 WT1 O ATOM 21860 H1 TIP3 7491 5.794 12.310 17.228 1.00 0.00 WT1 H ATOM 21861 H2 TIP3 7491 -2.366 -6.967 6.884 1.00 0.00 WT1 H ATOM 21862 OH2 TIP3 7492 2.534 -0.193 5.701 1.00 0.00 WT1 O ATOM 21863 H1 TIP3 7492 12.769 -6.206 9.050 1.00 0.00 WT1 H ATOM 21864 H2 TIP3 7492 1.555 -1.136 7.265 1.00 0.00 WT1 H ATOM 21865 OH2 TIP3 7493 -1.924 -0.845 -0.331 1.00 0.00 WT1 O ATOM 21866 H1 TIP3 7493 -3.256 9.925 -25.387 1.00 0.00 WT1 H ATOM 21867 H2 TIP3 7493 -2.323 -4.602 1.610 1.00 0.00 WT1 H ATOM 21868 OH2 TIP3 7494 1.445 1.376 2.021 1.00 0.00 WT1 O ATOM 21869 H1 TIP3 7494 -1.809 -4.752 -0.799 1.00 0.00 WT1 H ATOM 21870 H2 TIP3 7494 -1.043 8.184 -4.994 1.00 0.00 WT1 H ATOM 21871 OH2 TIP3 7495 -0.712 -1.907 3.743 1.00 0.00 WT1 O ATOM 21872 H1 TIP3 7495 -17.498 26.700 -26.276 1.00 0.00 WT1 H ATOM 21873 H2 TIP3 7495 -13.993 -1.151 -1.116 1.00 0.00 WT1 H ATOM 21874 OH2 TIP3 7496 5.320 3.783 0.150 1.00 0.00 WT1 O ATOM 21875 H1 TIP3 7496 1.295 -1.574 -0.359 1.00 0.00 WT1 H ATOM 21876 H2 TIP3 7496 8.007 6.995 0.162 1.00 0.00 WT1 H ATOM 21877 OH2 TIP3 7497 -3.510 2.275 -3.386 1.00 0.00 WT1 O ATOM 21878 H1 TIP3 7497 1.588 -23.867 8.072 1.00 0.00 WT1 H ATOM 21879 H2 TIP3 7497 -15.307 3.614 23.420 1.00 0.00 WT1 H ATOM 21880 OH2 TIP3 7498 -2.775 4.163 -2.135 1.00 0.00 WT1 O ATOM 21881 H1 TIP3 7498 -6.882 3.257 -1.948 1.00 0.00 WT1 H ATOM 21882 H2 TIP3 7498 -3.755 9.058 -1.155 1.00 0.00 WT1 H ATOM 21883 OH2 TIP3 7499 1.180 -2.440 4.571 1.00 0.00 WT1 O ATOM 21884 H1 TIP3 7499 15.695 -3.555 8.755 1.00 0.00 WT1 H ATOM 21885 H2 TIP3 7499 3.830 -9.597 4.695 1.00 0.00 WT1 H ATOM 21886 OH2 TIP3 7500 12.125 -3.480 3.259 1.00 0.00 WT1 O ATOM 21887 H1 TIP3 7500 9.709 16.985 13.119 1.00 0.00 WT1 H ATOM 21888 H2 TIP3 7500 -9.026 -11.891 -1.118 1.00 0.00 WT1 H ATOM 21889 OH2 TIP3 7501 -4.684 -2.874 -5.028 1.00 0.00 WT1 O ATOM 21890 H1 TIP3 7501 -15.178 -0.052 -8.340 1.00 0.00 WT1 H ATOM 21891 H2 TIP3 7501 -13.715 2.163 -4.384 1.00 0.00 WT1 H ATOM 21892 OH2 TIP3 7502 -2.757 5.764 2.016 1.00 0.00 WT1 O ATOM 21893 H1 TIP3 7502 5.319 8.900 7.576 1.00 0.00 WT1 H ATOM 21894 H2 TIP3 7502 -0.583 6.431 -5.029 1.00 0.00 WT1 H ATOM 21895 OH2 TIP3 7503 15.994 1.701 -3.851 1.00 0.00 WT1 O ATOM 21896 H1 TIP3 7503 20.066 -1.887 -14.806 1.00 0.00 WT1 H ATOM 21897 H2 TIP3 7503 25.985 -18.309 -11.216 1.00 0.00 WT1 H ATOM 21898 OH2 TIP3 7504 -2.485 -1.176 -0.542 1.00 0.00 WT1 O ATOM 21899 H1 TIP3 7504 3.760 7.507 -7.896 1.00 0.00 WT1 H ATOM 21900 H2 TIP3 7504 -16.710 -0.735 -0.940 1.00 0.00 WT1 H ATOM 21901 OH2 TIP3 7505 -0.137 1.136 -3.046 1.00 0.00 WT1 O ATOM 21902 H1 TIP3 7505 11.891 11.326 -8.207 1.00 0.00 WT1 H ATOM 21903 H2 TIP3 7505 -25.299 2.246 0.065 1.00 0.00 WT1 H ATOM 21904 OH2 TIP3 7506 -1.169 4.021 -5.645 1.00 0.00 WT1 O ATOM 21905 H1 TIP3 7506 17.071 11.775 -26.897 1.00 0.00 WT1 H ATOM 21906 H2 TIP3 7506 17.693 13.224 15.761 1.00 0.00 WT1 H ATOM 21907 OH2 TIP3 7507 -2.445 -6.864 -2.423 1.00 0.00 WT1 O ATOM 21908 H1 TIP3 7507 -6.501 -4.478 -20.334 1.00 0.00 WT1 H ATOM 21909 H2 TIP3 7507 -3.096 3.139 -17.961 1.00 0.00 WT1 H ATOM 21910 OH2 TIP3 7508 -1.461 6.553 -1.952 1.00 0.00 WT1 O ATOM 21911 H1 TIP3 7508 -2.946 -2.208 1.018 1.00 0.00 WT1 H ATOM 21912 H2 TIP3 7508 5.605 6.763 -9.452 1.00 0.00 WT1 H ATOM 21913 OH2 TIP3 7509 2.754 -0.834 7.484 1.00 0.00 WT1 O ATOM 21914 H1 TIP3 7509 -17.712 7.966 -2.208 1.00 0.00 WT1 H ATOM 21915 H2 TIP3 7509 13.902 0.478 6.806 1.00 0.00 WT1 H ATOM 21916 OH2 TIP3 7510 5.005 -3.616 4.497 1.00 0.00 WT1 O ATOM 21917 H1 TIP3 7510 -17.908 21.302 24.684 1.00 0.00 WT1 H ATOM 21918 H2 TIP3 7510 3.137 8.300 9.481 1.00 0.00 WT1 H ATOM 21919 OH2 TIP3 7511 1.715 6.132 7.801 1.00 0.00 WT1 O ATOM 21920 H1 TIP3 7511 1.200 6.724 6.456 1.00 0.00 WT1 H ATOM 21921 H2 TIP3 7511 2.337 7.257 8.551 1.00 0.00 WT1 H ATOM 21922 OH2 TIP3 7512 -6.941 4.727 4.547 1.00 0.00 WT1 O ATOM 21923 H1 TIP3 7512 0.459 -0.963 1.955 1.00 0.00 WT1 H ATOM 21924 H2 TIP3 7512 -14.186 7.713 4.222 1.00 0.00 WT1 H ATOM 21925 OH2 TIP3 7513 -2.370 4.805 1.343 1.00 0.00 WT1 O ATOM 21926 H1 TIP3 7513 -9.971 4.561 5.834 1.00 0.00 WT1 H ATOM 21927 H2 TIP3 7513 -5.428 8.072 -7.192 1.00 0.00 WT1 H ATOM 21928 OH2 TIP3 7514 0.186 1.857 4.123 1.00 0.00 WT1 O ATOM 21929 H1 TIP3 7514 6.084 -0.508 -3.236 1.00 0.00 WT1 H ATOM 21930 H2 TIP3 7514 -6.612 26.310 11.144 1.00 0.00 WT1 H ATOM 21931 OH2 TIP3 7515 2.633 -1.237 -2.289 1.00 0.00 WT1 O ATOM 21932 H1 TIP3 7515 -0.921 6.664 -10.327 1.00 0.00 WT1 H ATOM 21933 H2 TIP3 7515 7.480 18.693 11.524 1.00 0.00 WT1 H ATOM 21934 OH2 TIP3 7516 -2.158 -4.873 3.690 1.00 0.00 WT1 O ATOM 21935 H1 TIP3 7516 0.137 -14.831 14.007 1.00 0.00 WT1 H ATOM 21936 H2 TIP3 7516 -23.356 -12.227 8.627 1.00 0.00 WT1 H ATOM 21937 OH2 TIP3 7517 0.567 3.052 -4.712 1.00 0.00 WT1 O ATOM 21938 H1 TIP3 7517 -2.218 -1.904 17.970 1.00 0.00 WT1 H ATOM 21939 H2 TIP3 7517 22.715 -33.430 9.105 1.00 0.00 WT1 H ATOM 21940 OH2 TIP3 7518 0.188 4.346 -0.344 1.00 0.00 WT1 O ATOM 21941 H1 TIP3 7518 0.971 4.541 -1.605 1.00 0.00 WT1 H ATOM 21942 H2 TIP3 7518 6.449 9.695 5.528 1.00 0.00 WT1 H ATOM 21943 OH2 TIP3 7519 -1.670 -1.699 0.952 1.00 0.00 WT1 O ATOM 21944 H1 TIP3 7519 -9.479 18.026 -12.590 1.00 0.00 WT1 H ATOM 21945 H2 TIP3 7519 -1.092 -8.411 2.778 1.00 0.00 WT1 H ATOM 21946 OH2 TIP3 7520 -5.527 0.914 0.535 1.00 0.00 WT1 O ATOM 21947 H1 TIP3 7520 -6.376 15.158 7.890 1.00 0.00 WT1 H ATOM 21948 H2 TIP3 7520 -14.784 18.534 1.542 1.00 0.00 WT1 H ATOM 21949 OH2 TIP3 7521 0.079 0.894 3.061 1.00 0.00 WT1 O ATOM 21950 H1 TIP3 7521 2.241 1.086 10.447 1.00 0.00 WT1 H ATOM 21951 H2 TIP3 7521 -9.357 5.585 10.211 1.00 0.00 WT1 H ATOM 21952 OH2 TIP3 7522 -6.212 -3.352 -7.714 1.00 0.00 WT1 O ATOM 21953 H1 TIP3 7522 -1.210 -14.808 -13.725 1.00 0.00 WT1 H ATOM 21954 H2 TIP3 7522 2.493 0.787 -2.902 1.00 0.00 WT1 H ATOM 21955 OH2 TIP3 7523 -3.558 -1.765 -2.023 1.00 0.00 WT1 O ATOM 21956 H1 TIP3 7523 -8.246 -0.254 4.598 1.00 0.00 WT1 H ATOM 21957 H2 TIP3 7523 -7.541 2.550 -8.414 1.00 0.00 WT1 H ATOM 21958 OH2 TIP3 7524 -3.562 3.865 0.308 1.00 0.00 WT1 O ATOM 21959 H1 TIP3 7524 -4.137 3.605 -0.335 1.00 0.00 WT1 H ATOM 21960 H2 TIP3 7524 1.970 0.304 3.813 1.00 0.00 WT1 H ATOM 21961 OH2 TIP3 7525 -0.328 3.100 6.888 1.00 0.00 WT1 O ATOM 21962 H1 TIP3 7525 1.821 6.552 6.909 1.00 0.00 WT1 H ATOM 21963 H2 TIP3 7525 -7.948 12.070 11.424 1.00 0.00 WT1 H ATOM 21964 OH2 TIP3 7526 2.663 4.642 -0.323 1.00 0.00 WT1 O ATOM 21965 H1 TIP3 7526 0.500 4.162 4.901 1.00 0.00 WT1 H ATOM 21966 H2 TIP3 7526 -2.578 2.568 9.314 1.00 0.00 WT1 H ATOM 21967 OH2 TIP3 7527 0.775 -0.171 3.798 1.00 0.00 WT1 O ATOM 21968 H1 TIP3 7527 -5.172 -9.498 -14.574 1.00 0.00 WT1 H ATOM 21969 H2 TIP3 7527 -7.823 -2.638 -4.714 1.00 0.00 WT1 H ATOM 21970 OH2 TIP3 7529 0.134 2.525 -1.017 1.00 0.00 WT1 O ATOM 21971 H1 TIP3 7529 6.048 6.065 24.265 1.00 0.00 WT1 H ATOM 21972 H2 TIP3 7529 -4.630 0.729 6.584 1.00 0.00 WT1 H ATOM 21973 OH2 TIP3 7530 4.740 -1.355 0.551 1.00 0.00 WT1 O ATOM 21974 H1 TIP3 7530 1.792 -31.176 3.317 1.00 0.00 WT1 H ATOM 21975 H2 TIP3 7530 20.702 9.137 15.335 1.00 0.00 WT1 H ATOM 21976 OH2 TIP3 7531 -5.850 -1.262 -0.634 1.00 0.00 WT1 O ATOM 21977 H1 TIP3 7531 0.575 -2.971 -6.809 1.00 0.00 WT1 H ATOM 21978 H2 TIP3 7531 -11.670 -1.468 11.491 1.00 0.00 WT1 H ATOM 21979 OH2 TIP3 7532 5.632 0.987 4.931 1.00 0.00 WT1 O ATOM 21980 H1 TIP3 7532 15.155 10.250 -2.284 1.00 0.00 WT1 H ATOM 21981 H2 TIP3 7532 0.825 2.333 9.550 1.00 0.00 WT1 H ATOM 21982 OH2 TIP3 7534 7.400 -0.150 -3.373 1.00 0.00 WT1 O ATOM 21983 H1 TIP3 7534 -26.584 -24.670 4.557 1.00 0.00 WT1 H ATOM 21984 H2 TIP3 7534 -1.426 6.984 12.777 1.00 0.00 WT1 H ATOM 21985 OH2 TIP3 7535 -7.499 -2.112 0.184 1.00 0.00 WT1 O ATOM 21986 H1 TIP3 7535 -14.740 5.988 0.512 1.00 0.00 WT1 H ATOM 21987 H2 TIP3 7535 -3.953 -11.333 -5.622 1.00 0.00 WT1 H ATOM 21988 OH2 TIP3 7536 0.613 -0.357 3.564 1.00 0.00 WT1 O ATOM 21989 H1 TIP3 7536 19.525 -9.377 -8.030 1.00 0.00 WT1 H ATOM 21990 H2 TIP3 7536 11.219 2.635 0.135 1.00 0.00 WT1 H ATOM 21991 OH2 TIP3 7537 2.302 -0.303 1.852 1.00 0.00 WT1 O ATOM 21992 H1 TIP3 7537 -0.933 5.414 19.891 1.00 0.00 WT1 H ATOM 21993 H2 TIP3 7537 -0.132 4.601 -24.733 1.00 0.00 WT1 H ATOM 21994 OH2 TIP3 7538 1.769 3.791 -7.366 1.00 0.00 WT1 O ATOM 21995 H1 TIP3 7538 2.167 4.812 -3.857 1.00 0.00 WT1 H ATOM 21996 H2 TIP3 7538 1.316 4.358 -13.846 1.00 0.00 WT1 H ATOM 21997 OH2 TIP3 7539 2.721 -2.226 0.875 1.00 0.00 WT1 O ATOM 21998 H1 TIP3 7539 -1.410 -12.480 -3.767 1.00 0.00 WT1 H ATOM 21999 H2 TIP3 7539 7.928 -5.800 3.233 1.00 0.00 WT1 H ATOM 22000 OH2 TIP3 7540 1.914 -1.425 -6.905 1.00 0.00 WT1 O ATOM 22001 H1 TIP3 7540 11.400 -1.388 4.652 1.00 0.00 WT1 H ATOM 22002 H2 TIP3 7540 -8.339 2.726 -20.173 1.00 0.00 WT1 H ATOM 22003 OH2 TIP3 7541 1.113 -5.402 1.307 1.00 0.00 WT1 O ATOM 22004 H1 TIP3 7541 -12.037 33.728 13.064 1.00 0.00 WT1 H ATOM 22005 H2 TIP3 7541 -13.087 29.472 12.089 1.00 0.00 WT1 H ATOM 22006 OH2 TIP3 7542 -1.484 0.511 1.389 1.00 0.00 WT1 O ATOM 22007 H1 TIP3 7542 -1.549 -1.499 -0.784 1.00 0.00 WT1 H ATOM 22008 H2 TIP3 7542 -2.245 5.687 6.660 1.00 0.00 WT1 H ATOM 22009 OH2 TIP3 7543 -1.982 0.427 3.227 1.00 0.00 WT1 O ATOM 22010 H1 TIP3 7543 -12.342 -3.861 17.091 1.00 0.00 WT1 H ATOM 22011 H2 TIP3 7543 0.384 5.422 -3.656 1.00 0.00 WT1 H ATOM 22012 OH2 TIP3 7544 1.241 1.100 0.061 1.00 0.00 WT1 O ATOM 22013 H1 TIP3 7544 -2.253 2.389 5.243 1.00 0.00 WT1 H ATOM 22014 H2 TIP3 7544 3.953 -4.123 2.548 1.00 0.00 WT1 H ATOM 22015 OH2 TIP3 7545 0.803 1.146 1.621 1.00 0.00 WT1 O ATOM 22016 H1 TIP3 7545 1.651 6.053 0.627 1.00 0.00 WT1 H ATOM 22017 H2 TIP3 7545 9.073 14.344 3.484 1.00 0.00 WT1 H ATOM 22018 OH2 TIP3 7546 1.787 -3.362 1.232 1.00 0.00 WT1 O ATOM 22019 H1 TIP3 7546 12.844 8.189 -11.430 1.00 0.00 WT1 H ATOM 22020 H2 TIP3 7546 -14.746 3.828 0.354 1.00 0.00 WT1 H ATOM 22021 OH2 TIP3 7547 -8.721 0.856 -2.304 1.00 0.00 WT1 O ATOM 22022 H1 TIP3 7547 -16.136 -0.482 2.475 1.00 0.00 WT1 H ATOM 22023 H2 TIP3 7547 -6.440 4.112 -23.866 1.00 0.00 WT1 H ATOM 22024 OH2 TIP3 7548 12.671 -2.797 -1.377 1.00 0.00 WT1 O ATOM 22025 H1 TIP3 7548 5.900 8.704 16.700 1.00 0.00 WT1 H ATOM 22026 H2 TIP3 7548 11.435 1.005 3.732 1.00 0.00 WT1 H ATOM 22027 OH2 TIP3 7549 2.666 0.263 1.022 1.00 0.00 WT1 O ATOM 22028 H1 TIP3 7549 0.394 1.934 1.121 1.00 0.00 WT1 H ATOM 22029 H2 TIP3 7549 -18.874 -21.392 -8.685 1.00 0.00 WT1 H ATOM 22030 OH2 TIP3 7550 -0.560 -1.103 4.476 1.00 0.00 WT1 O ATOM 22031 H1 TIP3 7550 -5.432 -5.191 -0.079 1.00 0.00 WT1 H ATOM 22032 H2 TIP3 7550 10.600 7.962 24.559 1.00 0.00 WT1 H ATOM 22033 OH2 TIP3 7551 4.221 -3.503 -6.849 1.00 0.00 WT1 O ATOM 22034 H1 TIP3 7551 14.572 -7.421 -24.229 1.00 0.00 WT1 H ATOM 22035 H2 TIP3 7551 -2.446 1.617 -4.614 1.00 0.00 WT1 H ATOM 22036 OH2 TIP3 7552 3.053 1.194 2.022 1.00 0.00 WT1 O ATOM 22037 H1 TIP3 7552 8.846 -37.095 14.064 1.00 0.00 WT1 H ATOM 22038 H2 TIP3 7552 2.992 -6.500 -6.343 1.00 0.00 WT1 H ATOM 22039 OH2 TIP3 7553 -4.710 -1.686 2.492 1.00 0.00 WT1 O ATOM 22040 H1 TIP3 7553 0.653 -16.256 -2.950 1.00 0.00 WT1 H ATOM 22041 H2 TIP3 7553 18.966 2.993 -4.336 1.00 0.00 WT1 H ATOM 22042 OH2 TIP3 7554 -3.280 -2.006 3.563 1.00 0.00 WT1 O ATOM 22043 H1 TIP3 7554 6.351 12.097 0.326 1.00 0.00 WT1 H ATOM 22044 H2 TIP3 7554 -7.973 -8.485 8.481 1.00 0.00 WT1 H ATOM 22045 OH2 TIP3 7555 0.596 -1.639 -2.961 1.00 0.00 WT1 O ATOM 22046 H1 TIP3 7555 0.108 15.761 5.942 1.00 0.00 WT1 H ATOM 22047 H2 TIP3 7555 -24.748 3.893 17.052 1.00 0.00 WT1 H ATOM 22048 OH2 TIP3 7556 1.649 0.713 -2.982 1.00 0.00 WT1 O ATOM 22049 H1 TIP3 7556 2.442 -13.953 -7.299 1.00 0.00 WT1 H ATOM 22050 H2 TIP3 7556 1.718 -1.221 -2.675 1.00 0.00 WT1 H ATOM 22051 OH2 TIP3 7557 -3.857 1.748 5.014 1.00 0.00 WT1 O ATOM 22052 H1 TIP3 7557 -6.269 8.675 -2.458 1.00 0.00 WT1 H ATOM 22053 H2 TIP3 7557 8.716 -17.588 31.993 1.00 0.00 WT1 H ATOM 22054 OH2 TIP3 7558 -0.435 -4.485 -8.961 1.00 0.00 WT1 O ATOM 22055 H1 TIP3 7558 -11.163 2.299 -10.450 1.00 0.00 WT1 H ATOM 22056 H2 TIP3 7558 8.886 15.951 3.004 1.00 0.00 WT1 H ATOM 22057 OH2 TIP3 7559 -3.621 -3.682 -2.150 1.00 0.00 WT1 O ATOM 22058 H1 TIP3 7559 7.204 -10.533 3.832 1.00 0.00 WT1 H ATOM 22059 H2 TIP3 7559 0.943 -1.434 -15.151 1.00 0.00 WT1 H ATOM 22060 OH2 TIP3 7560 -5.093 3.055 2.466 1.00 0.00 WT1 O ATOM 22061 H1 TIP3 7560 -5.948 -0.218 -0.663 1.00 0.00 WT1 H ATOM 22062 H2 TIP3 7560 -4.357 20.395 19.760 1.00 0.00 WT1 H ATOM 22063 OH2 TIP3 7561 -0.470 -3.673 4.451 1.00 0.00 WT1 O ATOM 22064 H1 TIP3 7561 30.145 -15.651 -0.918 1.00 0.00 WT1 H ATOM 22065 H2 TIP3 7561 8.710 17.354 10.086 1.00 0.00 WT1 H ATOM 22066 OH2 TIP3 7562 -3.562 -4.520 -3.492 1.00 0.00 WT1 O ATOM 22067 H1 TIP3 7562 -2.607 -0.546 0.296 1.00 0.00 WT1 H ATOM 22068 H2 TIP3 7562 -5.665 -11.100 -2.030 1.00 0.00 WT1 H ATOM 22069 OH2 TIP3 7563 -1.104 8.958 2.510 1.00 0.00 WT1 O ATOM 22070 H1 TIP3 7563 -7.085 6.258 5.351 1.00 0.00 WT1 H ATOM 22071 H2 TIP3 7563 -1.881 11.095 -5.206 1.00 0.00 WT1 H ATOM 22072 OH2 TIP3 7564 -2.402 3.731 3.408 1.00 0.00 WT1 O ATOM 22073 H1 TIP3 7564 -16.781 -11.413 23.203 1.00 0.00 WT1 H ATOM 22074 H2 TIP3 7564 7.338 -17.489 -18.294 1.00 0.00 WT1 H ATOM 22075 OH2 TIP3 7565 -3.917 1.407 5.525 1.00 0.00 WT1 O ATOM 22076 H1 TIP3 7565 -11.176 -2.816 2.168 1.00 0.00 WT1 H ATOM 22077 H2 TIP3 7565 5.099 4.634 3.010 1.00 0.00 WT1 H ATOM 22078 OH2 TIP3 7566 3.841 -2.137 0.759 1.00 0.00 WT1 O ATOM 22079 H1 TIP3 7566 -8.919 -9.818 -15.554 1.00 0.00 WT1 H ATOM 22080 H2 TIP3 7566 -7.046 11.296 3.609 1.00 0.00 WT1 H ATOM 22081 OH2 TIP3 7567 -0.279 12.303 -2.475 1.00 0.00 WT1 O ATOM 22082 H1 TIP3 7567 2.526 21.003 0.195 1.00 0.00 WT1 H ATOM 22083 H2 TIP3 7567 11.066 -6.644 15.486 1.00 0.00 WT1 H ATOM 22084 OH2 TIP3 7568 1.863 -5.531 -5.771 1.00 0.00 WT1 O ATOM 22085 H1 TIP3 7568 7.810 -11.789 -8.810 1.00 0.00 WT1 H ATOM 22086 H2 TIP3 7568 6.518 -1.871 1.437 1.00 0.00 WT1 H ATOM 22087 OH2 TIP3 7569 1.216 -2.877 4.416 1.00 0.00 WT1 O ATOM 22088 H1 TIP3 7569 -2.223 -3.053 14.128 1.00 0.00 WT1 H ATOM 22089 H2 TIP3 7569 -10.531 23.410 -6.004 1.00 0.00 WT1 H ATOM 22090 OH2 TIP3 7570 0.573 3.140 6.273 1.00 0.00 WT1 O ATOM 22091 H1 TIP3 7570 32.372 27.721 17.644 1.00 0.00 WT1 H ATOM 22092 H2 TIP3 7570 10.790 7.421 10.558 1.00 0.00 WT1 H ATOM 22093 OH2 TIP3 7571 -3.519 -1.659 -5.220 1.00 0.00 WT1 O ATOM 22094 H1 TIP3 7571 -5.972 -5.523 18.523 1.00 0.00 WT1 H ATOM 22095 H2 TIP3 7571 15.817 -18.363 -3.323 1.00 0.00 WT1 H ATOM 22096 OH2 TIP3 7572 -4.697 -5.548 -2.965 1.00 0.00 WT1 O ATOM 22097 H1 TIP3 7572 -16.193 -9.688 -6.344 1.00 0.00 WT1 H ATOM 22098 H2 TIP3 7572 3.382 4.493 -12.941 1.00 0.00 WT1 H ATOM 22099 OH2 TIP3 7573 3.047 0.949 -3.058 1.00 0.00 WT1 O ATOM 22100 H1 TIP3 7573 16.356 5.251 16.722 1.00 0.00 WT1 H ATOM 22101 H2 TIP3 7573 8.813 2.569 5.760 1.00 0.00 WT1 H ATOM 22102 OH2 TIP3 7574 -4.254 -0.885 -0.475 1.00 0.00 WT1 O ATOM 22103 H1 TIP3 7574 -2.543 23.050 13.613 1.00 0.00 WT1 H ATOM 22104 H2 TIP3 7574 3.560 15.340 29.204 1.00 0.00 WT1 H ATOM 22105 OH2 TIP3 7575 -1.221 5.698 -3.990 1.00 0.00 WT1 O ATOM 22106 H1 TIP3 7575 -5.035 -5.928 4.035 1.00 0.00 WT1 H ATOM 22107 H2 TIP3 7575 10.304 10.699 4.806 1.00 0.00 WT1 H ATOM 22108 OH2 TIP3 7576 -2.360 5.792 -0.620 1.00 0.00 WT1 O ATOM 22109 H1 TIP3 7576 -5.334 10.160 2.852 1.00 0.00 WT1 H ATOM 22110 H2 TIP3 7576 17.385 -4.851 -10.441 1.00 0.00 WT1 H ATOM 22111 OH2 TIP3 7577 2.469 2.328 3.563 1.00 0.00 WT1 O ATOM 22112 H1 TIP3 7577 2.447 6.679 11.677 1.00 0.00 WT1 H ATOM 22113 H2 TIP3 7577 -5.243 -0.326 -0.014 1.00 0.00 WT1 H ATOM 22114 OH2 TIP3 7578 -0.898 7.206 -0.976 1.00 0.00 WT1 O ATOM 22115 H1 TIP3 7578 -2.146 19.591 -2.136 1.00 0.00 WT1 H ATOM 22116 H2 TIP3 7578 1.002 6.874 -1.190 1.00 0.00 WT1 H ATOM 22117 OH2 TIP3 7579 -2.345 -4.979 -3.945 1.00 0.00 WT1 O ATOM 22118 H1 TIP3 7579 3.331 -10.498 -2.393 1.00 0.00 WT1 H ATOM 22119 H2 TIP3 7579 -21.152 11.735 -12.896 1.00 0.00 WT1 H ATOM 22120 OH2 TIP3 7580 -2.428 5.908 -1.707 1.00 0.00 WT1 O ATOM 22121 H1 TIP3 7580 -6.856 -0.599 17.702 1.00 0.00 WT1 H ATOM 22122 H2 TIP3 7580 15.707 -2.483 -6.084 1.00 0.00 WT1 H ATOM 22123 OH2 TIP3 7581 3.858 1.283 -6.747 1.00 0.00 WT1 O ATOM 22124 H1 TIP3 7581 -9.163 13.211 1.650 1.00 0.00 WT1 H ATOM 22125 H2 TIP3 7581 -17.248 18.767 -11.815 1.00 0.00 WT1 H ATOM 22126 OH2 TIP3 7582 5.231 1.978 1.045 1.00 0.00 WT1 O ATOM 22127 H1 TIP3 7582 -12.545 21.913 10.860 1.00 0.00 WT1 H ATOM 22128 H2 TIP3 7582 8.840 -1.141 -1.492 1.00 0.00 WT1 H ATOM 22129 OH2 TIP3 7584 0.696 0.207 0.640 1.00 0.00 WT1 O ATOM 22130 H1 TIP3 7584 -0.388 4.419 11.344 1.00 0.00 WT1 H ATOM 22131 H2 TIP3 7584 -3.938 15.083 7.039 1.00 0.00 WT1 H ATOM 22132 OH2 TIP3 7585 1.991 0.728 3.777 1.00 0.00 WT1 O ATOM 22133 H1 TIP3 7585 -18.548 -10.918 16.333 1.00 0.00 WT1 H ATOM 22134 H2 TIP3 7585 22.960 19.366 14.006 1.00 0.00 WT1 H ATOM 22135 OH2 TIP3 7586 -1.362 3.456 4.759 1.00 0.00 WT1 O ATOM 22136 H1 TIP3 7586 -12.517 9.019 -15.942 1.00 0.00 WT1 H ATOM 22137 H2 TIP3 7586 -4.384 -14.963 9.081 1.00 0.00 WT1 H ATOM 22138 OH2 TIP3 7587 6.152 2.593 -4.138 1.00 0.00 WT1 O ATOM 22139 H1 TIP3 7587 12.579 11.255 -9.840 1.00 0.00 WT1 H ATOM 22140 H2 TIP3 7587 -3.822 1.277 -2.712 1.00 0.00 WT1 H ATOM 22141 OH2 TIP3 7588 -2.293 -0.193 1.107 1.00 0.00 WT1 O ATOM 22142 H1 TIP3 7588 9.946 16.641 -0.821 1.00 0.00 WT1 H ATOM 22143 H2 TIP3 7588 -3.763 -9.255 6.016 1.00 0.00 WT1 H ATOM 22144 OH2 TIP3 7589 7.726 1.649 -3.960 1.00 0.00 WT1 O ATOM 22145 H1 TIP3 7589 -2.742 -5.535 -6.121 1.00 0.00 WT1 H ATOM 22146 H2 TIP3 7589 7.732 1.635 7.123 1.00 0.00 WT1 H ATOM 22147 OH2 TIP3 7590 -3.283 -2.772 2.196 1.00 0.00 WT1 O ATOM 22148 H1 TIP3 7590 7.603 -5.492 -1.840 1.00 0.00 WT1 H ATOM 22149 H2 TIP3 7590 12.727 -20.906 33.157 1.00 0.00 WT1 H ATOM 22150 OH2 TIP3 7591 3.636 -4.199 -1.418 1.00 0.00 WT1 O ATOM 22151 H1 TIP3 7591 -32.172 25.988 -27.630 1.00 0.00 WT1 H ATOM 22152 H2 TIP3 7591 -5.926 11.208 1.944 1.00 0.00 WT1 H ATOM 22153 OH2 TIP3 7592 6.728 -0.449 1.805 1.00 0.00 WT1 O ATOM 22154 H1 TIP3 7592 7.680 -20.362 19.276 1.00 0.00 WT1 H ATOM 22155 H2 TIP3 7592 6.160 0.738 -7.013 1.00 0.00 WT1 H ATOM 22156 OH2 TIP3 7593 4.511 2.743 4.550 1.00 0.00 WT1 O ATOM 22157 H1 TIP3 7593 12.576 8.399 -1.554 1.00 0.00 WT1 H ATOM 22158 H2 TIP3 7593 -5.270 -2.463 -5.502 1.00 0.00 WT1 H ATOM 22159 OH2 TIP3 7594 -7.324 8.545 -5.074 1.00 0.00 WT1 O ATOM 22160 H1 TIP3 7594 -9.539 -6.505 -26.451 1.00 0.00 WT1 H ATOM 22161 H2 TIP3 7594 -6.990 2.680 -13.820 1.00 0.00 WT1 H ATOM 22162 OH2 TIP3 7595 -4.977 0.267 -3.913 1.00 0.00 WT1 O ATOM 22163 H1 TIP3 7595 -27.453 -2.716 -4.323 1.00 0.00 WT1 H ATOM 22164 H2 TIP3 7595 -5.316 10.171 12.311 1.00 0.00 WT1 H ATOM 22165 OH2 TIP3 7596 2.767 3.780 3.270 1.00 0.00 WT1 O ATOM 22166 H1 TIP3 7596 5.089 -9.731 -5.985 1.00 0.00 WT1 H ATOM 22167 H2 TIP3 7596 3.796 5.048 2.054 1.00 0.00 WT1 H ATOM 22168 OH2 TIP3 7597 0.131 -3.016 4.098 1.00 0.00 WT1 O ATOM 22169 H1 TIP3 7597 7.828 -1.601 7.284 1.00 0.00 WT1 H ATOM 22170 H2 TIP3 7597 5.551 -8.819 3.331 1.00 0.00 WT1 H ATOM 22171 OH2 TIP3 7598 6.318 5.586 1.733 1.00 0.00 WT1 O ATOM 22172 H1 TIP3 7598 3.633 -2.405 27.716 1.00 0.00 WT1 H ATOM 22173 H2 TIP3 7598 3.987 4.399 13.472 1.00 0.00 WT1 H ATOM 22174 OH2 TIP3 7599 -4.427 0.433 -2.959 1.00 0.00 WT1 O ATOM 22175 H1 TIP3 7599 1.190 15.454 22.187 1.00 0.00 WT1 H ATOM 22176 H2 TIP3 7599 -2.074 4.374 5.359 1.00 0.00 WT1 H ATOM 22177 OH2 TIP3 7600 -0.219 6.401 6.179 1.00 0.00 WT1 O ATOM 22178 H1 TIP3 7600 6.804 8.264 17.222 1.00 0.00 WT1 H ATOM 22179 H2 TIP3 7600 -15.779 1.821 15.312 1.00 0.00 WT1 H ATOM 22180 OH2 TIP3 7601 0.384 4.614 -0.276 1.00 0.00 WT1 O ATOM 22181 H1 TIP3 7601 15.449 12.796 4.705 1.00 0.00 WT1 H ATOM 22182 H2 TIP3 7601 -4.606 1.850 17.263 1.00 0.00 WT1 H ATOM 22183 OH2 TIP3 7602 -0.950 1.461 -2.631 1.00 0.00 WT1 O ATOM 22184 H1 TIP3 7602 12.833 6.481 10.922 1.00 0.00 WT1 H ATOM 22185 H2 TIP3 7602 -13.651 -9.538 13.308 1.00 0.00 WT1 H ATOM 22186 OH2 TIP3 7603 -11.614 2.418 0.439 1.00 0.00 WT1 O ATOM 22187 H1 TIP3 7603 -14.887 -0.134 -6.563 1.00 0.00 WT1 H ATOM 22188 H2 TIP3 7603 -17.012 -0.275 12.500 1.00 0.00 WT1 H ATOM 22189 OH2 TIP3 7604 -2.367 -0.898 -2.073 1.00 0.00 WT1 O ATOM 22190 H1 TIP3 7604 12.589 13.682 -2.113 1.00 0.00 WT1 H ATOM 22191 H2 TIP3 7604 -19.971 7.145 -10.380 1.00 0.00 WT1 H ATOM 22192 OH2 TIP3 7605 -2.953 -4.056 -1.783 1.00 0.00 WT1 O ATOM 22193 H1 TIP3 7605 12.500 -10.625 5.118 1.00 0.00 WT1 H ATOM 22194 H2 TIP3 7605 -1.113 -7.191 -6.054 1.00 0.00 WT1 H ATOM 22195 OH2 TIP3 7606 1.670 -0.428 1.701 1.00 0.00 WT1 O ATOM 22196 H1 TIP3 7606 -2.110 1.449 -9.610 1.00 0.00 WT1 H ATOM 22197 H2 TIP3 7606 -14.442 -14.274 -1.618 1.00 0.00 WT1 H ATOM 22198 OH2 TIP3 7608 -10.238 -6.625 0.681 1.00 0.00 WT1 O ATOM 22199 H1 TIP3 7608 -8.306 -18.474 8.820 1.00 0.00 WT1 H ATOM 22200 H2 TIP3 7608 1.973 10.119 -2.462 1.00 0.00 WT1 H ATOM 22201 OH2 TIP3 7609 1.272 -2.736 7.170 1.00 0.00 WT1 O ATOM 22202 H1 TIP3 7609 -4.063 -11.542 11.187 1.00 0.00 WT1 H ATOM 22203 H2 TIP3 7609 -10.012 31.791 19.114 1.00 0.00 WT1 H ATOM 22204 OH2 TIP3 7610 3.083 -7.170 2.289 1.00 0.00 WT1 O ATOM 22205 H1 TIP3 7610 0.587 -15.715 15.237 1.00 0.00 WT1 H ATOM 22206 H2 TIP3 7610 0.299 -16.087 -20.137 1.00 0.00 WT1 H ATOM 22207 OH2 TIP3 7611 0.121 -0.339 1.491 1.00 0.00 WT1 O ATOM 22208 H1 TIP3 7611 9.921 -7.561 12.198 1.00 0.00 WT1 H ATOM 22209 H2 TIP3 7611 6.900 9.161 2.727 1.00 0.00 WT1 H ATOM 22210 OH2 TIP3 7612 -2.391 6.882 -3.440 1.00 0.00 WT1 O ATOM 22211 H1 TIP3 7612 0.831 1.668 -2.012 1.00 0.00 WT1 H ATOM 22212 H2 TIP3 7612 5.428 -7.522 2.823 1.00 0.00 WT1 H ATOM 22213 OH2 TIP3 7613 -6.391 1.203 -1.343 1.00 0.00 WT1 O ATOM 22214 H1 TIP3 7613 -8.393 25.844 -1.041 1.00 0.00 WT1 H ATOM 22215 H2 TIP3 7613 -5.218 -2.453 0.924 1.00 0.00 WT1 H ATOM 22216 OH2 TIP3 7614 0.541 3.124 -3.217 1.00 0.00 WT1 O ATOM 22217 H1 TIP3 7614 18.287 9.275 8.934 1.00 0.00 WT1 H ATOM 22218 H2 TIP3 7614 12.911 -15.336 -21.409 1.00 0.00 WT1 H ATOM 22219 OH2 TIP3 7615 7.540 3.837 -8.721 1.00 0.00 WT1 O ATOM 22220 H1 TIP3 7615 -27.301 -5.941 11.307 1.00 0.00 WT1 H ATOM 22221 H2 TIP3 7615 4.518 16.804 -2.344 1.00 0.00 WT1 H ATOM 22222 OH2 TIP3 7616 -0.915 -1.412 -0.504 1.00 0.00 WT1 O ATOM 22223 H1 TIP3 7616 8.096 0.289 -4.123 1.00 0.00 WT1 H ATOM 22224 H2 TIP3 7616 -10.333 11.381 -2.727 1.00 0.00 WT1 H ATOM 22225 OH2 TIP3 7617 -4.732 2.262 2.371 1.00 0.00 WT1 O ATOM 22226 H1 TIP3 7617 -7.201 6.149 -7.213 1.00 0.00 WT1 H ATOM 22227 H2 TIP3 7617 -2.100 -6.553 5.339 1.00 0.00 WT1 H ATOM 22228 OH2 TIP3 7618 -2.372 0.796 5.233 1.00 0.00 WT1 O ATOM 22229 H1 TIP3 7618 -7.527 11.881 8.506 1.00 0.00 WT1 H ATOM 22230 H2 TIP3 7618 -13.452 -4.739 0.030 1.00 0.00 WT1 H ATOM 22231 OH2 TIP3 7619 2.963 -1.661 3.281 1.00 0.00 WT1 O ATOM 22232 H1 TIP3 7619 -8.261 0.709 -15.102 1.00 0.00 WT1 H ATOM 22233 H2 TIP3 7619 -1.472 10.844 8.336 1.00 0.00 WT1 H ATOM 22234 OH2 TIP3 7620 -2.570 1.918 -4.985 1.00 0.00 WT1 O ATOM 22235 H1 TIP3 7620 6.116 -10.688 3.065 1.00 0.00 WT1 H ATOM 22236 H2 TIP3 7620 -5.528 -1.186 -7.190 1.00 0.00 WT1 H ATOM 22237 OH2 TIP3 7621 8.471 1.643 0.125 1.00 0.00 WT1 O ATOM 22238 H1 TIP3 7621 12.152 20.915 7.766 1.00 0.00 WT1 H ATOM 22239 H2 TIP3 7621 1.969 -5.000 -19.753 1.00 0.00 WT1 H ATOM 22240 OH2 TIP3 7622 3.611 -0.156 0.197 1.00 0.00 WT1 O ATOM 22241 H1 TIP3 7622 3.815 -6.127 -5.642 1.00 0.00 WT1 H ATOM 22242 H2 TIP3 7622 -3.108 10.711 13.204 1.00 0.00 WT1 H ATOM 22243 OH2 TIP3 7623 -3.124 -2.282 -1.954 1.00 0.00 WT1 O ATOM 22244 H1 TIP3 7623 -2.513 13.639 6.297 1.00 0.00 WT1 H ATOM 22245 H2 TIP3 7623 5.207 -2.722 9.139 1.00 0.00 WT1 H ATOM 22246 OH2 TIP3 7624 -2.385 0.417 2.148 1.00 0.00 WT1 O ATOM 22247 H1 TIP3 7624 -10.183 0.108 13.364 1.00 0.00 WT1 H ATOM 22248 H2 TIP3 7624 -3.486 -0.479 -10.291 1.00 0.00 WT1 H ATOM 22249 OH2 TIP3 7625 -1.545 1.035 -4.309 1.00 0.00 WT1 O ATOM 22250 H1 TIP3 7625 -8.785 -2.247 -12.179 1.00 0.00 WT1 H ATOM 22251 H2 TIP3 7625 15.114 4.942 15.129 1.00 0.00 WT1 H ATOM 22252 OH2 TIP3 7626 1.734 1.461 1.485 1.00 0.00 WT1 O ATOM 22253 H1 TIP3 7626 -1.129 -13.989 -20.898 1.00 0.00 WT1 H ATOM 22254 H2 TIP3 7626 3.037 21.870 -8.946 1.00 0.00 WT1 H ATOM 22255 OH2 TIP3 7627 -8.361 -6.551 -6.241 1.00 0.00 WT1 O ATOM 22256 H1 TIP3 7627 1.612 -28.200 -10.732 1.00 0.00 WT1 H ATOM 22257 H2 TIP3 7627 -4.143 8.307 -17.805 1.00 0.00 WT1 H ATOM 22258 OH2 TIP3 7628 -1.691 -9.716 -1.749 1.00 0.00 WT1 O ATOM 22259 H1 TIP3 7628 1.829 -0.149 -13.863 1.00 0.00 WT1 H ATOM 22260 H2 TIP3 7628 -17.518 -2.708 5.627 1.00 0.00 WT1 H ATOM 22261 OH2 TIP3 7630 -3.999 -3.307 4.677 1.00 0.00 WT1 O ATOM 22262 H1 TIP3 7630 -9.501 17.787 -0.698 1.00 0.00 WT1 H ATOM 22263 H2 TIP3 7630 15.139 0.061 10.533 1.00 0.00 WT1 H ATOM 22264 OH2 TIP3 7631 2.169 -2.891 -6.142 1.00 0.00 WT1 O ATOM 22265 H1 TIP3 7631 -5.474 2.497 -14.519 1.00 0.00 WT1 H ATOM 22266 H2 TIP3 7631 0.631 -12.574 -9.952 1.00 0.00 WT1 H ATOM 22267 OH2 TIP3 7632 -1.762 -4.797 2.067 1.00 0.00 WT1 O ATOM 22268 H1 TIP3 7632 -8.315 17.112 15.963 1.00 0.00 WT1 H ATOM 22269 H2 TIP3 7632 -21.906 9.875 -2.626 1.00 0.00 WT1 H ATOM 22270 OH2 TIP3 7633 -1.798 0.855 1.948 1.00 0.00 WT1 O ATOM 22271 H1 TIP3 7633 0.801 19.455 -1.952 1.00 0.00 WT1 H ATOM 22272 H2 TIP3 7633 -8.008 -0.609 0.082 1.00 0.00 WT1 H ATOM 22273 OH2 TIP3 7634 0.735 -4.528 -3.838 1.00 0.00 WT1 O ATOM 22274 H1 TIP3 7634 8.340 -4.689 6.436 1.00 0.00 WT1 H ATOM 22275 H2 TIP3 7634 0.933 -4.312 -4.427 1.00 0.00 WT1 H ATOM 22276 OH2 TIP3 7635 -3.490 -2.997 -0.587 1.00 0.00 WT1 O ATOM 22277 H1 TIP3 7635 -0.278 4.623 -28.497 1.00 0.00 WT1 H ATOM 22278 H2 TIP3 7635 2.059 -2.946 -2.820 1.00 0.00 WT1 H ATOM 22279 OH2 TIP3 7636 -2.023 8.265 -4.184 1.00 0.00 WT1 O ATOM 22280 H1 TIP3 7636 -16.603 12.959 3.615 1.00 0.00 WT1 H ATOM 22281 H2 TIP3 7636 -12.916 2.293 12.378 1.00 0.00 WT1 H ATOM 22282 OH2 TIP3 7637 -11.071 -4.259 -2.692 1.00 0.00 WT1 O ATOM 22283 H1 TIP3 7637 22.442 -4.305 -2.647 1.00 0.00 WT1 H ATOM 22284 H2 TIP3 7637 -12.218 4.195 -14.937 1.00 0.00 WT1 H ATOM 22285 OH2 TIP3 7638 -5.632 -0.137 1.305 1.00 0.00 WT1 O ATOM 22286 H1 TIP3 7638 -8.972 3.763 7.130 1.00 0.00 WT1 H ATOM 22287 H2 TIP3 7638 -7.465 12.653 10.165 1.00 0.00 WT1 H ATOM 22288 OH2 TIP3 7639 2.707 3.486 2.022 1.00 0.00 WT1 O ATOM 22289 H1 TIP3 7639 -6.247 29.154 -0.893 1.00 0.00 WT1 H ATOM 22290 H2 TIP3 7639 -15.492 -7.865 16.403 1.00 0.00 WT1 H ATOM 22291 OH2 TIP3 7640 1.284 -0.711 3.086 1.00 0.00 WT1 O ATOM 22292 H1 TIP3 7640 5.688 26.258 -10.200 1.00 0.00 WT1 H ATOM 22293 H2 TIP3 7640 30.191 -11.666 12.107 1.00 0.00 WT1 H ATOM 22294 OH2 TIP3 7641 -2.328 1.740 -1.998 1.00 0.00 WT1 O ATOM 22295 H1 TIP3 7641 14.894 -4.234 24.013 1.00 0.00 WT1 H ATOM 22296 H2 TIP3 7641 -13.806 10.585 -21.261 1.00 0.00 WT1 H ATOM 22297 OH2 TIP3 7642 -4.917 4.787 0.310 1.00 0.00 WT1 O ATOM 22298 H1 TIP3 7642 3.490 8.822 0.174 1.00 0.00 WT1 H ATOM 22299 H2 TIP3 7642 -12.313 10.238 3.774 1.00 0.00 WT1 H ATOM 22300 OH2 TIP3 7643 -1.496 -2.354 2.627 1.00 0.00 WT1 O ATOM 22301 H1 TIP3 7643 -14.370 -12.447 -28.790 1.00 0.00 WT1 H ATOM 22302 H2 TIP3 7643 2.474 -3.539 -3.037 1.00 0.00 WT1 H ATOM 22303 OH2 TIP3 7644 -7.276 1.583 -5.006 1.00 0.00 WT1 O ATOM 22304 H1 TIP3 7644 -7.631 2.068 -6.999 1.00 0.00 WT1 H ATOM 22305 H2 TIP3 7644 -2.717 1.221 -3.323 1.00 0.00 WT1 H ATOM 22306 OH2 TIP3 7645 1.562 3.302 -2.387 1.00 0.00 WT1 O ATOM 22307 H1 TIP3 7645 -0.976 10.754 13.670 1.00 0.00 WT1 H ATOM 22308 H2 TIP3 7645 -11.081 -12.655 -2.983 1.00 0.00 WT1 H ATOM 22309 OH2 TIP3 7646 1.997 4.039 2.094 1.00 0.00 WT1 O ATOM 22310 H1 TIP3 7646 -6.026 1.780 -19.173 1.00 0.00 WT1 H ATOM 22311 H2 TIP3 7646 -4.381 -22.579 -10.897 1.00 0.00 WT1 H ATOM 22312 OH2 TIP3 7647 5.844 -8.226 0.091 1.00 0.00 WT1 O ATOM 22313 H1 TIP3 7647 -4.420 1.186 7.649 1.00 0.00 WT1 H ATOM 22314 H2 TIP3 7647 27.953 -13.948 5.400 1.00 0.00 WT1 H ATOM 22315 OH2 TIP3 7648 -1.933 -4.716 2.534 1.00 0.00 WT1 O ATOM 22316 H1 TIP3 7648 -2.534 7.838 8.174 1.00 0.00 WT1 H ATOM 22317 H2 TIP3 7648 -1.683 -11.061 -1.184 1.00 0.00 WT1 H ATOM 22318 OH2 TIP3 7649 1.574 5.441 2.813 1.00 0.00 WT1 O ATOM 22319 H1 TIP3 7649 -3.171 -13.607 12.065 1.00 0.00 WT1 H ATOM 22320 H2 TIP3 7649 -20.801 9.662 -13.346 1.00 0.00 WT1 H ATOM 22321 OH2 TIP3 7650 4.007 0.853 1.119 1.00 0.00 WT1 O ATOM 22322 H1 TIP3 7650 -14.014 -12.769 -13.959 1.00 0.00 WT1 H ATOM 22323 H2 TIP3 7650 -10.028 -14.601 -19.159 1.00 0.00 WT1 H ATOM 22324 OH2 TIP3 7651 2.105 -2.896 9.020 1.00 0.00 WT1 O ATOM 22325 H1 TIP3 7651 -0.832 0.907 8.999 1.00 0.00 WT1 H ATOM 22326 H2 TIP3 7651 0.749 -1.300 8.957 1.00 0.00 WT1 H ATOM 22327 OH2 TIP3 7652 -4.342 0.914 1.798 1.00 0.00 WT1 O ATOM 22328 H1 TIP3 7652 -23.758 11.757 9.152 1.00 0.00 WT1 H ATOM 22329 H2 TIP3 7652 8.162 -4.190 19.718 1.00 0.00 WT1 H ATOM 22330 OH2 TIP3 7653 2.983 0.168 -0.612 1.00 0.00 WT1 O ATOM 22331 H1 TIP3 7653 -3.228 5.874 5.690 1.00 0.00 WT1 H ATOM 22332 H2 TIP3 7653 10.461 -2.682 5.514 1.00 0.00 WT1 H ATOM 22333 OH2 TIP3 7654 3.244 -2.236 -11.149 1.00 0.00 WT1 O ATOM 22334 H1 TIP3 7654 -3.808 6.516 -31.952 1.00 0.00 WT1 H ATOM 22335 H2 TIP3 7654 -37.412 36.097 -0.573 1.00 0.00 WT1 H ATOM 22336 OH2 TIP3 7655 1.728 -3.996 3.139 1.00 0.00 WT1 O ATOM 22337 H1 TIP3 7655 1.110 -22.422 6.932 1.00 0.00 WT1 H ATOM 22338 H2 TIP3 7655 0.705 21.375 -1.013 1.00 0.00 WT1 H ATOM 22339 OH2 TIP3 7656 -3.221 -4.470 2.562 1.00 0.00 WT1 O ATOM 22340 H1 TIP3 7656 8.348 5.606 -15.234 1.00 0.00 WT1 H ATOM 22341 H2 TIP3 7656 -18.853 -2.318 -7.500 1.00 0.00 WT1 H ATOM 22342 OH2 TIP3 7657 0.507 1.567 -0.427 1.00 0.00 WT1 O ATOM 22343 H1 TIP3 7657 -6.371 7.957 11.682 1.00 0.00 WT1 H ATOM 22344 H2 TIP3 7657 -11.249 -28.645 -21.258 1.00 0.00 WT1 H ATOM 22345 OH2 TIP3 7658 8.419 -1.528 3.813 1.00 0.00 WT1 O ATOM 22346 H1 TIP3 7658 15.643 -17.573 17.062 1.00 0.00 WT1 H ATOM 22347 H2 TIP3 7658 0.376 -11.911 -13.309 1.00 0.00 WT1 H ATOM 22348 OH2 TIP3 7659 4.648 -7.372 -3.149 1.00 0.00 WT1 O ATOM 22349 H1 TIP3 7659 -0.121 -16.998 14.946 1.00 0.00 WT1 H ATOM 22350 H2 TIP3 7659 -0.404 -4.037 14.288 1.00 0.00 WT1 H ATOM 22351 OH2 TIP3 7660 2.061 0.484 -0.349 1.00 0.00 WT1 O ATOM 22352 H1 TIP3 7660 27.721 -5.444 8.037 1.00 0.00 WT1 H ATOM 22353 H2 TIP3 7660 10.690 1.062 4.523 1.00 0.00 WT1 H ATOM 22354 OH2 TIP3 7661 -2.415 4.487 -0.605 1.00 0.00 WT1 O ATOM 22355 H1 TIP3 7661 -0.152 26.172 13.766 1.00 0.00 WT1 H ATOM 22356 H2 TIP3 7661 11.137 -5.681 -6.697 1.00 0.00 WT1 H ATOM 22357 OH2 TIP3 7662 4.198 3.989 -1.370 1.00 0.00 WT1 O ATOM 22358 H1 TIP3 7662 -14.426 -4.867 1.202 1.00 0.00 WT1 H ATOM 22359 H2 TIP3 7662 -11.947 10.990 5.727 1.00 0.00 WT1 H ATOM 22360 OH2 TIP3 7663 -0.221 1.664 -3.813 1.00 0.00 WT1 O ATOM 22361 H1 TIP3 7663 0.131 -16.375 -18.185 1.00 0.00 WT1 H ATOM 22362 H2 TIP3 7663 -13.502 -3.870 11.515 1.00 0.00 WT1 H ATOM 22363 OH2 TIP3 7664 -1.589 2.362 -6.966 1.00 0.00 WT1 O ATOM 22364 H1 TIP3 7664 21.896 14.845 5.279 1.00 0.00 WT1 H ATOM 22365 H2 TIP3 7664 -11.813 -3.393 -5.017 1.00 0.00 WT1 H ATOM 22366 OH2 TIP3 7665 2.158 -8.104 -0.038 1.00 0.00 WT1 O ATOM 22367 H1 TIP3 7665 -1.720 -13.651 6.524 1.00 0.00 WT1 H ATOM 22368 H2 TIP3 7665 4.664 -11.829 0.393 1.00 0.00 WT1 H ATOM 22369 OH2 TIP3 7666 -1.328 -1.148 1.298 1.00 0.00 WT1 O ATOM 22370 H1 TIP3 7666 7.399 -0.379 1.718 1.00 0.00 WT1 H ATOM 22371 H2 TIP3 7666 -2.142 1.984 2.193 1.00 0.00 WT1 H ATOM 22372 OH2 TIP3 7667 0.488 -2.017 4.639 1.00 0.00 WT1 O ATOM 22373 H1 TIP3 7667 2.475 -6.178 -2.835 1.00 0.00 WT1 H ATOM 22374 H2 TIP3 7667 1.352 11.642 13.173 1.00 0.00 WT1 H ATOM 22375 OH2 TIP3 7668 -0.377 -0.782 5.699 1.00 0.00 WT1 O ATOM 22376 H1 TIP3 7668 1.494 11.119 10.405 1.00 0.00 WT1 H ATOM 22377 H2 TIP3 7668 6.838 -3.640 7.580 1.00 0.00 WT1 H ATOM 22378 OH2 TIP3 7669 -2.821 -1.972 4.502 1.00 0.00 WT1 O ATOM 22379 H1 TIP3 7669 6.762 11.658 16.584 1.00 0.00 WT1 H ATOM 22380 H2 TIP3 7669 -17.360 -3.479 4.697 1.00 0.00 WT1 H ATOM 22381 OH2 TIP3 7670 0.830 0.879 4.174 1.00 0.00 WT1 O ATOM 22382 H1 TIP3 7670 16.888 14.549 -4.382 1.00 0.00 WT1 H ATOM 22383 H2 TIP3 7670 9.182 -20.910 1.170 1.00 0.00 WT1 H ATOM 22384 OH2 TIP3 7671 -7.927 0.340 -1.145 1.00 0.00 WT1 O ATOM 22385 H1 TIP3 7671 -9.869 -4.659 -24.146 1.00 0.00 WT1 H ATOM 22386 H2 TIP3 7671 -2.417 5.762 0.869 1.00 0.00 WT1 H ATOM 22387 OH2 TIP3 7672 -3.036 -4.030 4.935 1.00 0.00 WT1 O ATOM 22388 H1 TIP3 7672 20.341 12.034 1.204 1.00 0.00 WT1 H ATOM 22389 H2 TIP3 7672 -4.714 -9.048 9.807 1.00 0.00 WT1 H ATOM 22390 OH2 TIP3 7673 -1.987 -4.827 7.984 1.00 0.00 WT1 O ATOM 22391 H1 TIP3 7673 -22.344 12.284 16.960 1.00 0.00 WT1 H ATOM 22392 H2 TIP3 7673 4.646 3.632 -12.488 1.00 0.00 WT1 H ATOM 22393 OH2 TIP3 7674 -4.985 -0.118 0.508 1.00 0.00 WT1 O ATOM 22394 H1 TIP3 7674 -4.469 -10.488 -26.255 1.00 0.00 WT1 H ATOM 22395 H2 TIP3 7674 7.946 8.932 13.984 1.00 0.00 WT1 H ATOM 22396 OH2 TIP3 7675 0.781 4.352 0.592 1.00 0.00 WT1 O ATOM 22397 H1 TIP3 7675 -17.780 -0.357 -16.138 1.00 0.00 WT1 H ATOM 22398 H2 TIP3 7675 5.538 35.222 -10.790 1.00 0.00 WT1 H ATOM 22399 OH2 TIP3 7676 6.193 -4.242 -1.881 1.00 0.00 WT1 O ATOM 22400 H1 TIP3 7676 2.726 3.045 17.738 1.00 0.00 WT1 H ATOM 22401 H2 TIP3 7676 10.085 10.344 -14.483 1.00 0.00 WT1 H ATOM 22402 OH2 TIP3 7677 -0.943 3.127 -0.811 1.00 0.00 WT1 O ATOM 22403 H1 TIP3 7677 1.456 4.246 -4.591 1.00 0.00 WT1 H ATOM 22404 H2 TIP3 7677 -2.135 0.494 -0.244 1.00 0.00 WT1 H ATOM 22405 OH2 TIP3 7678 4.288 -6.527 0.296 1.00 0.00 WT1 O ATOM 22406 H1 TIP3 7678 13.029 -18.303 -9.296 1.00 0.00 WT1 H ATOM 22407 H2 TIP3 7678 -4.337 4.044 -15.389 1.00 0.00 WT1 H ATOM 22408 OH2 TIP3 7679 2.207 1.099 -8.422 1.00 0.00 WT1 O ATOM 22409 H1 TIP3 7679 -1.571 -1.717 -5.581 1.00 0.00 WT1 H ATOM 22410 H2 TIP3 7679 6.051 -1.575 -6.121 1.00 0.00 WT1 H ATOM 22411 OH2 TIP3 7680 3.105 -0.452 1.955 1.00 0.00 WT1 O ATOM 22412 H1 TIP3 7680 -3.190 -11.413 6.501 1.00 0.00 WT1 H ATOM 22413 H2 TIP3 7680 -4.016 1.281 -9.356 1.00 0.00 WT1 H ATOM 22414 OH2 TIP3 7681 1.534 -3.755 2.494 1.00 0.00 WT1 O ATOM 22415 H1 TIP3 7681 6.038 -3.467 6.967 1.00 0.00 WT1 H ATOM 22416 H2 TIP3 7681 3.237 -10.726 11.049 1.00 0.00 WT1 H ATOM 22417 OH2 TIP3 7682 -0.788 0.922 7.680 1.00 0.00 WT1 O ATOM 22418 H1 TIP3 7682 0.963 -2.269 4.924 1.00 0.00 WT1 H ATOM 22419 H2 TIP3 7682 6.337 -8.219 -13.714 1.00 0.00 WT1 H ATOM 22420 OH2 TIP3 7683 4.813 -2.282 -2.155 1.00 0.00 WT1 O ATOM 22421 H1 TIP3 7683 -21.284 -2.091 -1.128 1.00 0.00 WT1 H ATOM 22422 H2 TIP3 7683 10.174 -4.184 -38.965 1.00 0.00 WT1 H ATOM 22423 OH2 TIP3 7684 -4.927 2.002 8.916 1.00 0.00 WT1 O ATOM 22424 H1 TIP3 7684 -0.730 -8.889 -6.480 1.00 0.00 WT1 H ATOM 22425 H2 TIP3 7684 -0.949 1.254 -24.340 1.00 0.00 WT1 H ATOM 22426 OH2 TIP3 7685 0.706 0.327 1.144 1.00 0.00 WT1 O ATOM 22427 H1 TIP3 7685 6.429 -13.592 5.055 1.00 0.00 WT1 H ATOM 22428 H2 TIP3 7685 -6.497 -1.691 -3.237 1.00 0.00 WT1 H ATOM 22429 OH2 TIP3 7686 -0.772 -1.578 -2.145 1.00 0.00 WT1 O ATOM 22430 H1 TIP3 7686 5.528 -5.073 -15.379 1.00 0.00 WT1 H ATOM 22431 H2 TIP3 7686 -2.442 -2.777 -14.068 1.00 0.00 WT1 H ATOM 22432 OH2 TIP3 7687 7.307 0.853 4.639 1.00 0.00 WT1 O ATOM 22433 H1 TIP3 7687 -8.165 2.028 6.253 1.00 0.00 WT1 H ATOM 22434 H2 TIP3 7687 -4.687 20.160 10.820 1.00 0.00 WT1 H ATOM 22435 OH2 TIP3 7688 -0.841 2.136 -2.756 1.00 0.00 WT1 O ATOM 22436 H1 TIP3 7688 9.809 7.596 15.747 1.00 0.00 WT1 H ATOM 22437 H2 TIP3 7688 -2.039 5.128 2.315 1.00 0.00 WT1 H ATOM 22438 OH2 TIP3 7689 8.039 1.943 4.171 1.00 0.00 WT1 O ATOM 22439 H1 TIP3 7689 13.127 0.319 9.976 1.00 0.00 WT1 H ATOM 22440 H2 TIP3 7689 -1.118 14.716 3.150 1.00 0.00 WT1 H ATOM 22441 OH2 TIP3 7690 1.783 -3.264 -4.973 1.00 0.00 WT1 O ATOM 22442 H1 TIP3 7690 12.281 6.661 -11.291 1.00 0.00 WT1 H ATOM 22443 H2 TIP3 7690 1.383 -25.248 -2.240 1.00 0.00 WT1 H ATOM 22444 OH2 TIP3 7691 2.633 0.528 -1.261 1.00 0.00 WT1 O ATOM 22445 H1 TIP3 7691 6.507 -0.791 -15.910 1.00 0.00 WT1 H ATOM 22446 H2 TIP3 7691 -4.781 -6.750 -3.182 1.00 0.00 WT1 H ATOM 22447 OH2 TIP3 7692 8.977 -5.062 -3.647 1.00 0.00 WT1 O ATOM 22448 H1 TIP3 7692 -5.182 -3.626 0.076 1.00 0.00 WT1 H ATOM 22449 H2 TIP3 7692 1.178 -10.965 -6.186 1.00 0.00 WT1 H ATOM 22450 OH2 TIP3 7693 0.898 -5.366 -3.817 1.00 0.00 WT1 O ATOM 22451 H1 TIP3 7693 4.926 -20.219 23.366 1.00 0.00 WT1 H ATOM 22452 H2 TIP3 7693 -11.206 30.916 14.770 1.00 0.00 WT1 H ATOM 22453 OH2 TIP3 7694 2.705 -0.461 0.094 1.00 0.00 WT1 O ATOM 22454 H1 TIP3 7694 -1.445 0.840 3.970 1.00 0.00 WT1 H ATOM 22455 H2 TIP3 7694 6.174 -6.041 -18.484 1.00 0.00 WT1 H ATOM 22456 OH2 TIP3 7695 0.466 1.566 0.026 1.00 0.00 WT1 O ATOM 22457 H1 TIP3 7695 -0.999 2.161 4.268 1.00 0.00 WT1 H ATOM 22458 H2 TIP3 7695 15.621 13.534 -2.109 1.00 0.00 WT1 H ATOM 22459 OH2 TIP3 7696 0.651 -1.979 -2.820 1.00 0.00 WT1 O ATOM 22460 H1 TIP3 7696 3.292 0.195 -10.569 1.00 0.00 WT1 H ATOM 22461 H2 TIP3 7696 3.000 -17.374 -10.886 1.00 0.00 WT1 H ATOM 22462 OH2 TIP3 7697 -7.035 7.755 -1.436 1.00 0.00 WT1 O ATOM 22463 H1 TIP3 7697 -5.025 9.383 1.385 1.00 0.00 WT1 H ATOM 22464 H2 TIP3 7697 -10.134 8.306 -6.791 1.00 0.00 WT1 H ATOM 22465 OH2 TIP3 7698 -2.848 1.978 -2.212 1.00 0.00 WT1 O ATOM 22466 H1 TIP3 7698 1.053 -4.287 -9.370 1.00 0.00 WT1 H ATOM 22467 H2 TIP3 7698 -2.740 -4.007 6.416 1.00 0.00 WT1 H ATOM 22468 OH2 TIP3 7699 -2.840 0.083 6.495 1.00 0.00 WT1 O ATOM 22469 H1 TIP3 7699 -7.160 3.636 3.639 1.00 0.00 WT1 H ATOM 22470 H2 TIP3 7699 -3.565 -1.020 1.087 1.00 0.00 WT1 H ATOM 22471 OH2 TIP3 7700 1.996 2.195 3.099 1.00 0.00 WT1 O ATOM 22472 H1 TIP3 7700 -12.780 -3.829 0.066 1.00 0.00 WT1 H ATOM 22473 H2 TIP3 7700 -9.321 10.632 12.676 1.00 0.00 WT1 H ATOM 22474 OH2 TIP3 7701 -4.507 -6.376 -4.396 1.00 0.00 WT1 O ATOM 22475 H1 TIP3 7701 -3.640 -5.819 -4.948 1.00 0.00 WT1 H ATOM 22476 H2 TIP3 7701 -19.215 -2.693 8.735 1.00 0.00 WT1 H ATOM 22477 OH2 TIP3 7703 -5.313 -2.278 2.096 1.00 0.00 WT1 O ATOM 22478 H1 TIP3 7703 -7.734 3.086 3.630 1.00 0.00 WT1 H ATOM 22479 H2 TIP3 7703 -7.838 6.116 4.006 1.00 0.00 WT1 H ATOM 22480 OH2 TIP3 7704 3.415 1.568 -7.239 1.00 0.00 WT1 O ATOM 22481 H1 TIP3 7704 15.371 -4.225 -9.665 1.00 0.00 WT1 H ATOM 22482 H2 TIP3 7704 0.318 4.603 0.058 1.00 0.00 WT1 H ATOM 22483 OH2 TIP3 7705 2.058 1.233 -4.070 1.00 0.00 WT1 O ATOM 22484 H1 TIP3 7705 -9.007 -11.423 25.824 1.00 0.00 WT1 H ATOM 22485 H2 TIP3 7705 -13.968 1.876 6.425 1.00 0.00 WT1 H ATOM 22486 OH2 TIP3 7706 -6.294 -3.273 -4.446 1.00 0.00 WT1 O ATOM 22487 H1 TIP3 7706 9.448 14.338 23.702 1.00 0.00 WT1 H ATOM 22488 H2 TIP3 7706 -1.077 12.978 -0.598 1.00 0.00 WT1 H ATOM 22489 OH2 TIP3 7707 -0.065 0.784 8.796 1.00 0.00 WT1 O ATOM 22490 H1 TIP3 7707 20.755 0.131 1.974 1.00 0.00 WT1 H ATOM 22491 H2 TIP3 7707 -24.401 4.941 8.504 1.00 0.00 WT1 H ATOM 22492 OH2 TIP3 7708 6.277 0.650 0.656 1.00 0.00 WT1 O ATOM 22493 H1 TIP3 7708 13.877 2.211 2.897 1.00 0.00 WT1 H ATOM 22494 H2 TIP3 7708 -16.296 -0.171 -0.486 1.00 0.00 WT1 H ATOM 22495 OH2 TIP3 7709 4.493 2.577 -1.140 1.00 0.00 WT1 O ATOM 22496 H1 TIP3 7709 2.251 0.081 -0.986 1.00 0.00 WT1 H ATOM 22497 H2 TIP3 7709 -6.038 -3.254 13.610 1.00 0.00 WT1 H ATOM 22498 OH2 TIP3 7710 -0.335 0.193 -3.057 1.00 0.00 WT1 O ATOM 22499 H1 TIP3 7710 24.065 -4.348 -3.366 1.00 0.00 WT1 H ATOM 22500 H2 TIP3 7710 -6.997 -0.498 4.619 1.00 0.00 WT1 H ATOM 22501 OH2 TIP3 7711 -6.515 -0.026 -8.167 1.00 0.00 WT1 O ATOM 22502 H1 TIP3 7711 -15.028 5.240 -29.869 1.00 0.00 WT1 H ATOM 22503 H2 TIP3 7711 4.966 8.322 -8.365 1.00 0.00 WT1 H ATOM 22504 OH2 TIP3 7712 0.226 2.720 0.391 1.00 0.00 WT1 O ATOM 22505 H1 TIP3 7712 -7.227 -17.542 2.882 1.00 0.00 WT1 H ATOM 22506 H2 TIP3 7712 -3.808 -12.988 -2.053 1.00 0.00 WT1 H ATOM 22507 OH2 TIP3 7713 -2.165 -2.200 -1.501 1.00 0.00 WT1 O ATOM 22508 H1 TIP3 7713 -7.662 -15.214 -12.076 1.00 0.00 WT1 H ATOM 22509 H2 TIP3 7713 -27.763 -1.616 18.968 1.00 0.00 WT1 H ATOM 22510 OH2 TIP3 7714 0.389 0.798 1.963 1.00 0.00 WT1 O ATOM 22511 H1 TIP3 7714 3.408 -2.931 2.274 1.00 0.00 WT1 H ATOM 22512 H2 TIP3 7714 6.346 -1.287 2.501 1.00 0.00 WT1 H ATOM 22513 OH2 TIP3 7715 -3.364 1.269 6.093 1.00 0.00 WT1 O ATOM 22514 H1 TIP3 7715 20.420 -0.570 0.296 1.00 0.00 WT1 H ATOM 22515 H2 TIP3 7715 -11.242 10.616 28.647 1.00 0.00 WT1 H ATOM 22516 OH2 TIP3 7716 3.942 -6.645 -0.793 1.00 0.00 WT1 O ATOM 22517 H1 TIP3 7716 20.217 -8.061 14.139 1.00 0.00 WT1 H ATOM 22518 H2 TIP3 7716 -12.530 -0.048 12.050 1.00 0.00 WT1 H ATOM 22519 OH2 TIP3 7717 0.855 -0.060 0.729 1.00 0.00 WT1 O ATOM 22520 H1 TIP3 7717 -7.711 -14.260 3.519 1.00 0.00 WT1 H ATOM 22521 H2 TIP3 7717 -5.893 -14.859 4.810 1.00 0.00 WT1 H ATOM 22522 OH2 TIP3 7718 -6.662 -3.590 -1.068 1.00 0.00 WT1 O ATOM 22523 H1 TIP3 7718 0.257 -1.858 -0.668 1.00 0.00 WT1 H ATOM 22524 H2 TIP3 7718 1.063 10.843 -14.537 1.00 0.00 WT1 H ATOM 22525 OH2 TIP3 7719 11.980 3.782 4.685 1.00 0.00 WT1 O ATOM 22526 H1 TIP3 7719 13.106 -3.105 -4.254 1.00 0.00 WT1 H ATOM 22527 H2 TIP3 7719 12.550 -3.653 12.956 1.00 0.00 WT1 H ATOM 22528 OH2 TIP3 7720 2.768 -6.407 0.670 1.00 0.00 WT1 O ATOM 22529 H1 TIP3 7720 -0.457 -2.432 2.197 1.00 0.00 WT1 H ATOM 22530 H2 TIP3 7720 4.368 -14.543 4.357 1.00 0.00 WT1 H ATOM 22531 OH2 TIP3 7721 1.444 7.691 6.471 1.00 0.00 WT1 O ATOM 22532 H1 TIP3 7721 4.768 -1.632 4.356 1.00 0.00 WT1 H ATOM 22533 H2 TIP3 7721 20.953 -1.594 -8.272 1.00 0.00 WT1 H ATOM 22534 OH2 TIP3 7722 -3.742 -3.195 -6.358 1.00 0.00 WT1 O ATOM 22535 H1 TIP3 7722 -18.090 6.142 -1.295 1.00 0.00 WT1 H ATOM 22536 H2 TIP3 7722 -13.288 -9.462 -8.723 1.00 0.00 WT1 H ATOM 22537 OH2 TIP3 7723 3.908 -5.230 2.988 1.00 0.00 WT1 O ATOM 22538 H1 TIP3 7723 3.043 7.460 0.162 1.00 0.00 WT1 H ATOM 22539 H2 TIP3 7723 -6.064 18.608 -19.567 1.00 0.00 WT1 H ATOM 22540 OH2 TIP3 7724 2.913 -1.486 -6.301 1.00 0.00 WT1 O ATOM 22541 H1 TIP3 7724 -10.390 -19.987 3.189 1.00 0.00 WT1 H ATOM 22542 H2 TIP3 7724 8.855 10.190 -7.534 1.00 0.00 WT1 H ATOM 22543 OH2 TIP3 7725 4.092 -2.002 4.732 1.00 0.00 WT1 O ATOM 22544 H1 TIP3 7725 7.759 3.154 -2.680 1.00 0.00 WT1 H ATOM 22545 H2 TIP3 7725 12.013 16.105 -4.787 1.00 0.00 WT1 H ATOM 22546 OH2 TIP3 7726 -0.118 9.929 -5.108 1.00 0.00 WT1 O ATOM 22547 H1 TIP3 7726 2.935 -1.953 -14.666 1.00 0.00 WT1 H ATOM 22548 H2 TIP3 7726 10.276 9.946 4.997 1.00 0.00 WT1 H ATOM 22549 OH2 TIP3 7727 4.165 7.108 4.392 1.00 0.00 WT1 O ATOM 22550 H1 TIP3 7727 5.389 3.766 20.086 1.00 0.00 WT1 H ATOM 22551 H2 TIP3 7727 -7.315 -1.790 8.427 1.00 0.00 WT1 H ATOM 22552 OH2 TIP3 7728 -1.126 5.445 -3.973 1.00 0.00 WT1 O ATOM 22553 H1 TIP3 7728 -18.942 -1.116 9.135 1.00 0.00 WT1 H ATOM 22554 H2 TIP3 7728 -5.295 -6.705 -36.316 1.00 0.00 WT1 H ATOM 22555 OH2 TIP3 7729 7.047 4.214 -0.873 1.00 0.00 WT1 O ATOM 22556 H1 TIP3 7729 -6.516 9.041 8.454 1.00 0.00 WT1 H ATOM 22557 H2 TIP3 7729 0.941 -5.948 -8.753 1.00 0.00 WT1 H ATOM 22558 OH2 TIP3 7730 0.108 -5.124 -2.972 1.00 0.00 WT1 O ATOM 22559 H1 TIP3 7730 -8.986 -0.190 2.630 1.00 0.00 WT1 H ATOM 22560 H2 TIP3 7730 -1.239 -10.071 1.130 1.00 0.00 WT1 H ATOM 22561 OH2 TIP3 7731 2.369 -5.645 5.663 1.00 0.00 WT1 O ATOM 22562 H1 TIP3 7731 10.427 0.563 16.117 1.00 0.00 WT1 H ATOM 22563 H2 TIP3 7731 -6.283 -7.862 1.639 1.00 0.00 WT1 H ATOM 22564 OH2 TIP3 7732 0.008 -1.916 -2.694 1.00 0.00 WT1 O ATOM 22565 H1 TIP3 7732 -12.503 7.419 13.947 1.00 0.00 WT1 H ATOM 22566 H2 TIP3 7732 -13.332 -23.077 -3.117 1.00 0.00 WT1 H ATOM 22567 OH2 TIP3 7733 3.816 0.930 4.492 1.00 0.00 WT1 O ATOM 22568 H1 TIP3 7733 -6.234 5.631 0.955 1.00 0.00 WT1 H ATOM 22569 H2 TIP3 7733 3.131 4.180 -12.938 1.00 0.00 WT1 H ATOM 22570 OH2 TIP3 7734 2.336 6.009 -7.935 1.00 0.00 WT1 O ATOM 22571 H1 TIP3 7734 -3.156 10.034 3.250 1.00 0.00 WT1 H ATOM 22572 H2 TIP3 7734 4.016 -18.129 6.461 1.00 0.00 WT1 H ATOM 22573 OH2 TIP3 7735 1.005 5.289 4.373 1.00 0.00 WT1 O ATOM 22574 H1 TIP3 7735 -4.116 1.704 13.901 1.00 0.00 WT1 H ATOM 22575 H2 TIP3 7735 -8.847 13.425 -19.956 1.00 0.00 WT1 H ATOM 22576 OH2 TIP3 7736 3.827 -4.070 0.046 1.00 0.00 WT1 O ATOM 22577 H1 TIP3 7736 -4.568 -13.738 7.738 1.00 0.00 WT1 H ATOM 22578 H2 TIP3 7736 14.451 10.074 -17.194 1.00 0.00 WT1 H ATOM 22579 OH2 TIP3 7737 -5.994 3.313 -2.823 1.00 0.00 WT1 O ATOM 22580 H1 TIP3 7737 1.647 14.572 14.058 1.00 0.00 WT1 H ATOM 22581 H2 TIP3 7737 0.493 2.450 1.533 1.00 0.00 WT1 H ATOM 22582 OH2 TIP3 7738 0.788 -7.849 4.476 1.00 0.00 WT1 O ATOM 22583 H1 TIP3 7738 8.003 15.479 -9.833 1.00 0.00 WT1 H ATOM 22584 H2 TIP3 7738 11.576 -4.340 -9.785 1.00 0.00 WT1 H ATOM 22585 OH2 TIP3 7739 -3.986 4.172 -4.347 1.00 0.00 WT1 O ATOM 22586 H1 TIP3 7739 4.917 11.867 5.721 1.00 0.00 WT1 H ATOM 22587 H2 TIP3 7739 2.024 -14.846 -1.049 1.00 0.00 WT1 H ATOM 22588 OH2 TIP3 7740 0.764 4.476 3.475 1.00 0.00 WT1 O ATOM 22589 H1 TIP3 7740 0.561 -6.393 6.966 1.00 0.00 WT1 H ATOM 22590 H2 TIP3 7740 -0.056 12.166 -10.859 1.00 0.00 WT1 H ATOM 22591 OH2 TIP3 7741 -0.379 0.866 2.180 1.00 0.00 WT1 O ATOM 22592 H1 TIP3 7741 -0.732 1.569 6.625 1.00 0.00 WT1 H ATOM 22593 H2 TIP3 7741 -9.384 5.454 12.679 1.00 0.00 WT1 H ATOM 22594 OH2 TIP3 7742 -2.986 -4.322 -9.371 1.00 0.00 WT1 O ATOM 22595 H1 TIP3 7742 -13.518 3.278 -13.733 1.00 0.00 WT1 H ATOM 22596 H2 TIP3 7742 -1.555 4.568 2.929 1.00 0.00 WT1 H ATOM 22597 OH2 TIP3 7743 -5.432 -0.068 -2.048 1.00 0.00 WT1 O ATOM 22598 H1 TIP3 7743 -13.150 21.810 -22.747 1.00 0.00 WT1 H ATOM 22599 H2 TIP3 7743 29.884 -27.611 -22.604 1.00 0.00 WT1 H ATOM 22600 OH2 TIP3 7744 -0.373 -0.446 -4.540 1.00 0.00 WT1 O ATOM 22601 H1 TIP3 7744 -0.206 11.590 1.843 1.00 0.00 WT1 H ATOM 22602 H2 TIP3 7744 18.748 0.797 4.372 1.00 0.00 WT1 H ATOM 22603 OH2 TIP3 7745 -3.655 -4.521 -2.482 1.00 0.00 WT1 O ATOM 22604 H1 TIP3 7745 -7.529 -14.114 0.746 1.00 0.00 WT1 H ATOM 22605 H2 TIP3 7745 -4.950 1.354 -0.116 1.00 0.00 WT1 H ATOM 22606 OH2 TIP3 7746 2.889 -8.667 -6.949 1.00 0.00 WT1 O ATOM 22607 H1 TIP3 7746 -0.761 2.269 3.646 1.00 0.00 WT1 H ATOM 22608 H2 TIP3 7746 11.693 -18.715 -8.852 1.00 0.00 WT1 H ATOM 22609 OH2 TIP3 7747 0.314 -1.049 -9.965 1.00 0.00 WT1 O ATOM 22610 H1 TIP3 7747 -9.588 8.232 -22.605 1.00 0.00 WT1 H ATOM 22611 H2 TIP3 7747 -6.242 2.225 2.745 1.00 0.00 WT1 H ATOM 22612 OH2 TIP3 7748 6.697 -0.735 -5.986 1.00 0.00 WT1 O ATOM 22613 H1 TIP3 7748 -2.669 4.393 -5.226 1.00 0.00 WT1 H ATOM 22614 H2 TIP3 7748 4.351 -8.500 -10.152 1.00 0.00 WT1 H ATOM 22615 OH2 TIP3 7750 4.084 -2.949 5.290 1.00 0.00 WT1 O ATOM 22616 H1 TIP3 7750 11.037 -11.351 3.672 1.00 0.00 WT1 H ATOM 22617 H2 TIP3 7750 7.656 -2.966 -4.565 1.00 0.00 WT1 H ATOM 22618 OH2 TIP3 7751 5.590 -10.318 2.054 1.00 0.00 WT1 O ATOM 22619 H1 TIP3 7751 0.085 -6.256 -4.576 1.00 0.00 WT1 H ATOM 22620 H2 TIP3 7751 0.196 -6.659 -2.422 1.00 0.00 WT1 H ATOM 22621 OH2 TIP3 7752 5.722 3.390 -1.341 1.00 0.00 WT1 O ATOM 22622 H1 TIP3 7752 7.326 3.471 -0.659 1.00 0.00 WT1 H ATOM 22623 H2 TIP3 7752 3.789 -0.058 -8.132 1.00 0.00 WT1 H ATOM 22624 OH2 TIP3 7753 -3.584 0.443 -0.506 1.00 0.00 WT1 O ATOM 22625 H1 TIP3 7753 -8.412 0.956 10.751 1.00 0.00 WT1 H ATOM 22626 H2 TIP3 7753 -7.242 5.005 17.499 1.00 0.00 WT1 H ATOM 22627 OH2 TIP3 7754 -3.419 5.437 3.552 1.00 0.00 WT1 O ATOM 22628 H1 TIP3 7754 -10.967 6.732 0.404 1.00 0.00 WT1 H ATOM 22629 H2 TIP3 7754 -4.719 -1.458 8.955 1.00 0.00 WT1 H ATOM 22630 OH2 TIP3 7755 -5.251 1.791 2.679 1.00 0.00 WT1 O ATOM 22631 H1 TIP3 7755 5.000 17.331 -16.518 1.00 0.00 WT1 H ATOM 22632 H2 TIP3 7755 -13.292 4.653 -5.794 1.00 0.00 WT1 H ATOM 22633 OH2 TIP3 7757 5.049 7.049 -1.019 1.00 0.00 WT1 O ATOM 22634 H1 TIP3 7757 6.694 -5.492 -13.045 1.00 0.00 WT1 H ATOM 22635 H2 TIP3 7757 -2.727 1.040 -0.450 1.00 0.00 WT1 H ATOM 22636 OH2 TIP3 7758 -3.375 -5.180 -0.126 1.00 0.00 WT1 O ATOM 22637 H1 TIP3 7758 1.803 -9.258 4.910 1.00 0.00 WT1 H ATOM 22638 H2 TIP3 7758 1.890 -9.241 18.410 1.00 0.00 WT1 H ATOM 22639 OH2 TIP3 7759 -3.177 -1.533 2.762 1.00 0.00 WT1 O ATOM 22640 H1 TIP3 7759 -22.192 -7.233 -14.571 1.00 0.00 WT1 H ATOM 22641 H2 TIP3 7759 0.581 14.238 1.104 1.00 0.00 WT1 H ATOM 22642 OH2 TIP3 7760 -2.321 2.227 -0.363 1.00 0.00 WT1 O ATOM 22643 H1 TIP3 7760 2.752 5.477 3.764 1.00 0.00 WT1 H ATOM 22644 H2 TIP3 7760 -5.698 8.699 0.404 1.00 0.00 WT1 H ATOM 22645 OH2 TIP3 7761 3.398 -2.713 0.220 1.00 0.00 WT1 O ATOM 22646 H1 TIP3 7761 12.770 7.654 13.247 1.00 0.00 WT1 H ATOM 22647 H2 TIP3 7761 3.240 12.940 20.362 1.00 0.00 WT1 H ATOM 22648 OH2 TIP3 7763 -3.487 0.752 -6.118 1.00 0.00 WT1 O ATOM 22649 H1 TIP3 7763 -13.555 -10.593 -19.732 1.00 0.00 WT1 H ATOM 22650 H2 TIP3 7763 -30.313 5.093 27.313 1.00 0.00 WT1 H ATOM 22651 OH2 TIP3 7764 5.643 -3.564 1.745 1.00 0.00 WT1 O ATOM 22652 H1 TIP3 7764 5.357 2.056 0.460 1.00 0.00 WT1 H ATOM 22653 H2 TIP3 7764 5.499 -1.166 0.929 1.00 0.00 WT1 H ATOM 22654 OH2 TIP3 7765 -8.505 -0.039 -3.228 1.00 0.00 WT1 O ATOM 22655 H1 TIP3 7765 9.253 -12.983 11.050 1.00 0.00 WT1 H ATOM 22656 H2 TIP3 7765 17.435 33.519 5.257 1.00 0.00 WT1 H ATOM 22657 OH2 TIP3 7767 0.268 1.030 5.645 1.00 0.00 WT1 O ATOM 22658 H1 TIP3 7767 1.969 11.995 -31.351 1.00 0.00 WT1 H ATOM 22659 H2 TIP3 7767 -1.779 48.527 26.328 1.00 0.00 WT1 H ATOM 22660 OH2 TIP3 7768 3.461 10.325 0.165 1.00 0.00 WT1 O ATOM 22661 H1 TIP3 7768 0.689 3.400 -11.790 1.00 0.00 WT1 H ATOM 22662 H2 TIP3 7768 26.936 3.275 -13.507 1.00 0.00 WT1 H ATOM 22663 OH2 TIP3 7769 -1.815 0.705 -5.828 1.00 0.00 WT1 O ATOM 22664 H1 TIP3 7769 -10.094 -1.291 -18.140 1.00 0.00 WT1 H ATOM 22665 H2 TIP3 7769 2.342 -9.394 -6.231 1.00 0.00 WT1 H ATOM 22666 OH2 TIP3 7770 1.966 -2.105 1.688 1.00 0.00 WT1 O ATOM 22667 H1 TIP3 7770 -8.727 -7.711 5.393 1.00 0.00 WT1 H ATOM 22668 H2 TIP3 7770 7.577 -2.109 -31.510 1.00 0.00 WT1 H ATOM 22669 OH2 TIP3 7771 0.181 1.891 -4.587 1.00 0.00 WT1 O ATOM 22670 H1 TIP3 7771 -12.371 4.203 -19.387 1.00 0.00 WT1 H ATOM 22671 H2 TIP3 7771 -8.347 -1.286 4.342 1.00 0.00 WT1 H ATOM 22672 OH2 TIP3 7772 -3.894 0.073 3.855 1.00 0.00 WT1 O ATOM 22673 H1 TIP3 7772 -2.826 5.555 7.178 1.00 0.00 WT1 H ATOM 22674 H2 TIP3 7772 -5.602 -2.193 2.638 1.00 0.00 WT1 H ATOM 22675 OH2 TIP3 7773 1.792 1.599 -0.371 1.00 0.00 WT1 O ATOM 22676 H1 TIP3 7773 -1.835 -6.405 -1.991 1.00 0.00 WT1 H ATOM 22677 H2 TIP3 7773 -1.333 5.159 6.382 1.00 0.00 WT1 H ATOM 22678 OH2 TIP3 7774 -8.224 -2.337 10.261 1.00 0.00 WT1 O ATOM 22679 H1 TIP3 7774 -18.539 12.493 9.286 1.00 0.00 WT1 H ATOM 22680 H2 TIP3 7774 0.927 10.127 -12.529 1.00 0.00 WT1 H ATOM 22681 OH2 TIP3 7775 4.627 -4.367 -9.517 1.00 0.00 WT1 O ATOM 22682 H1 TIP3 7775 22.911 -3.242 -20.651 1.00 0.00 WT1 H ATOM 22683 H2 TIP3 7775 16.368 -9.207 -0.823 1.00 0.00 WT1 H ATOM 22684 OH2 TIP3 7776 0.763 0.050 -0.229 1.00 0.00 WT1 O ATOM 22685 H1 TIP3 7776 -8.746 -30.273 -4.628 1.00 0.00 WT1 H ATOM 22686 H2 TIP3 7776 24.805 -6.253 40.142 1.00 0.00 WT1 H ATOM 22687 OH2 TIP3 7777 -6.225 -1.084 3.846 1.00 0.00 WT1 O ATOM 22688 H1 TIP3 7777 -5.704 -9.103 -9.503 1.00 0.00 WT1 H ATOM 22689 H2 TIP3 7777 0.489 2.735 17.064 1.00 0.00 WT1 H ATOM 22690 OH2 TIP3 7778 -0.240 3.860 6.895 1.00 0.00 WT1 O ATOM 22691 H1 TIP3 7778 -24.217 4.299 -12.023 1.00 0.00 WT1 H ATOM 22692 H2 TIP3 7778 -1.858 4.185 5.474 1.00 0.00 WT1 H ATOM 22693 OH2 TIP3 7779 -3.923 -2.619 -0.913 1.00 0.00 WT1 O ATOM 22694 H1 TIP3 7779 1.209 -7.950 -10.305 1.00 0.00 WT1 H ATOM 22695 H2 TIP3 7779 4.685 1.741 3.433 1.00 0.00 WT1 H ATOM 22696 OH2 TIP3 7780 7.283 -3.862 5.872 1.00 0.00 WT1 O ATOM 22697 H1 TIP3 7780 -12.866 -12.760 -1.383 1.00 0.00 WT1 H ATOM 22698 H2 TIP3 7780 -3.920 -8.879 -1.046 1.00 0.00 WT1 H ATOM 22699 OH2 TIP3 7781 -4.317 -0.331 2.175 1.00 0.00 WT1 O ATOM 22700 H1 TIP3 7781 19.000 -5.301 10.884 1.00 0.00 WT1 H ATOM 22701 H2 TIP3 7781 2.452 -3.634 7.256 1.00 0.00 WT1 H ATOM 22702 OH2 TIP3 7782 6.980 5.497 -0.370 1.00 0.00 WT1 O ATOM 22703 H1 TIP3 7782 14.019 -13.361 4.623 1.00 0.00 WT1 H ATOM 22704 H2 TIP3 7782 5.361 -1.088 4.961 1.00 0.00 WT1 H ATOM 22705 OH2 TIP3 7783 2.896 1.883 -2.603 1.00 0.00 WT1 O ATOM 22706 H1 TIP3 7783 7.255 -1.032 0.471 1.00 0.00 WT1 H ATOM 22707 H2 TIP3 7783 -5.123 0.098 -3.274 1.00 0.00 WT1 H ATOM 22708 OH2 TIP3 7784 -0.752 -2.274 2.748 1.00 0.00 WT1 O ATOM 22709 H1 TIP3 7784 -8.030 23.054 -21.109 1.00 0.00 WT1 H ATOM 22710 H2 TIP3 7784 0.070 -3.859 -1.306 1.00 0.00 WT1 H ATOM 22711 OH2 TIP3 7785 -0.030 2.846 -0.521 1.00 0.00 WT1 O ATOM 22712 H1 TIP3 7785 -1.457 0.499 5.849 1.00 0.00 WT1 H ATOM 22713 H2 TIP3 7785 -7.346 5.508 -2.925 1.00 0.00 WT1 H ATOM 22714 OH2 TIP3 7787 -6.376 -0.032 -2.407 1.00 0.00 WT1 O ATOM 22715 H1 TIP3 7787 -17.729 11.891 -12.942 1.00 0.00 WT1 H ATOM 22716 H2 TIP3 7787 -0.376 4.752 11.058 1.00 0.00 WT1 H ATOM 22717 OH2 TIP3 7788 0.341 -0.998 -5.673 1.00 0.00 WT1 O ATOM 22718 H1 TIP3 7788 -8.630 11.633 -19.411 1.00 0.00 WT1 H ATOM 22719 H2 TIP3 7788 2.542 -4.106 -2.711 1.00 0.00 WT1 H ATOM 22720 OH2 TIP3 7789 -1.385 4.414 -2.069 1.00 0.00 WT1 O ATOM 22721 H1 TIP3 7789 10.567 -1.343 -19.419 1.00 0.00 WT1 H ATOM 22722 H2 TIP3 7789 -4.210 4.492 0.751 1.00 0.00 WT1 H ATOM 22723 OH2 TIP3 7790 -0.657 -4.356 0.647 1.00 0.00 WT1 O ATOM 22724 H1 TIP3 7790 18.529 16.352 16.599 1.00 0.00 WT1 H ATOM 22725 H2 TIP3 7790 -12.669 22.647 7.226 1.00 0.00 WT1 H ATOM 22726 OH2 TIP3 7791 2.138 -0.574 1.507 1.00 0.00 WT1 O ATOM 22727 H1 TIP3 7791 10.454 4.733 -2.500 1.00 0.00 WT1 H ATOM 22728 H2 TIP3 7791 -10.247 -5.072 -5.818 1.00 0.00 WT1 H ATOM 22729 OH2 TIP3 7792 4.841 -3.613 5.188 1.00 0.00 WT1 O ATOM 22730 H1 TIP3 7792 6.703 0.457 0.144 1.00 0.00 WT1 H ATOM 22731 H2 TIP3 7792 -0.220 -2.059 5.524 1.00 0.00 WT1 H ATOM 22732 OH2 TIP3 7793 -8.018 3.557 1.550 1.00 0.00 WT1 O ATOM 22733 H1 TIP3 7793 -12.419 -0.447 7.649 1.00 0.00 WT1 H ATOM 22734 H2 TIP3 7793 -5.064 12.094 3.891 1.00 0.00 WT1 H ATOM 22735 OH2 TIP3 7794 -1.293 -2.951 -9.715 1.00 0.00 WT1 O ATOM 22736 H1 TIP3 7794 -7.685 -11.478 -15.700 1.00 0.00 WT1 H ATOM 22737 H2 TIP3 7794 -10.238 0.324 8.027 1.00 0.00 WT1 H ATOM 22738 OH2 TIP3 7796 2.410 8.808 4.303 1.00 0.00 WT1 O ATOM 22739 H1 TIP3 7796 -1.722 -6.087 14.330 1.00 0.00 WT1 H ATOM 22740 H2 TIP3 7796 -8.410 5.403 -12.851 1.00 0.00 WT1 H ATOM 22741 OH2 TIP3 7797 0.796 5.306 -2.728 1.00 0.00 WT1 O ATOM 22742 H1 TIP3 7797 7.500 12.437 -5.220 1.00 0.00 WT1 H ATOM 22743 H2 TIP3 7797 -7.210 -2.654 1.669 1.00 0.00 WT1 H ATOM 22744 OH2 TIP3 7798 -3.734 2.316 -0.524 1.00 0.00 WT1 O ATOM 22745 H1 TIP3 7798 -6.862 22.368 -4.355 1.00 0.00 WT1 H ATOM 22746 H2 TIP3 7798 1.204 -5.806 25.321 1.00 0.00 WT1 H ATOM 22747 OH2 TIP3 7799 -0.349 -8.837 -1.700 1.00 0.00 WT1 O ATOM 22748 H1 TIP3 7799 1.741 -4.316 8.512 1.00 0.00 WT1 H ATOM 22749 H2 TIP3 7799 -1.984 -0.335 8.455 1.00 0.00 WT1 H ATOM 22750 OH2 TIP3 7800 -6.978 -3.032 -2.116 1.00 0.00 WT1 O ATOM 22751 H1 TIP3 7800 -4.687 -1.157 -6.314 1.00 0.00 WT1 H ATOM 22752 H2 TIP3 7800 -5.578 -3.414 -5.711 1.00 0.00 WT1 H ATOM 22753 OH2 TIP3 7801 4.519 -2.987 2.453 1.00 0.00 WT1 O ATOM 22754 H1 TIP3 7801 8.149 -8.832 0.104 1.00 0.00 WT1 H ATOM 22755 H2 TIP3 7801 20.512 -21.780 2.712 1.00 0.00 WT1 H ATOM 22756 OH2 TIP3 7803 7.562 -7.985 -2.490 1.00 0.00 WT1 O ATOM 22757 H1 TIP3 7803 14.223 -5.081 2.201 1.00 0.00 WT1 H ATOM 22758 H2 TIP3 7803 3.775 -12.973 4.314 1.00 0.00 WT1 H ATOM 22759 OH2 TIP3 7804 -0.226 12.138 -1.063 1.00 0.00 WT1 O ATOM 22760 H1 TIP3 7804 2.249 9.079 6.359 1.00 0.00 WT1 H ATOM 22761 H2 TIP3 7804 -2.297 14.552 -16.956 1.00 0.00 WT1 H ATOM 22762 OH2 TIP3 7805 0.751 -2.706 3.420 1.00 0.00 WT1 O ATOM 22763 H1 TIP3 7805 23.433 -2.808 -6.908 1.00 0.00 WT1 H ATOM 22764 H2 TIP3 7805 -19.686 -12.359 13.864 1.00 0.00 WT1 H ATOM 22765 OH2 TIP3 7807 0.323 0.034 -0.448 1.00 0.00 WT1 O ATOM 22766 H1 TIP3 7807 -0.603 -0.785 -0.066 1.00 0.00 WT1 H ATOM 22767 H2 TIP3 7807 5.534 7.038 -2.547 1.00 0.00 WT1 H ATOM 22768 OH2 TIP3 7808 -3.595 -3.950 4.034 1.00 0.00 WT1 O ATOM 22769 H1 TIP3 7808 -5.628 -1.996 0.307 1.00 0.00 WT1 H ATOM 22770 H2 TIP3 7808 0.958 -13.194 2.690 1.00 0.00 WT1 H ATOM 22771 OH2 TIP3 7809 2.299 3.919 5.251 1.00 0.00 WT1 O ATOM 22772 H1 TIP3 7809 -3.159 0.407 1.930 1.00 0.00 WT1 H ATOM 22773 H2 TIP3 7809 17.863 2.323 -14.409 1.00 0.00 WT1 H ATOM 22774 OH2 TIP3 7810 -0.842 -3.816 1.358 1.00 0.00 WT1 O ATOM 22775 H1 TIP3 7810 22.359 -13.754 -5.528 1.00 0.00 WT1 H ATOM 22776 H2 TIP3 7810 -7.237 -8.250 1.867 1.00 0.00 WT1 H ATOM 22777 OH2 TIP3 7811 -2.830 1.491 5.579 1.00 0.00 WT1 O ATOM 22778 H1 TIP3 7811 -2.551 7.829 -0.908 1.00 0.00 WT1 H ATOM 22779 H2 TIP3 7811 4.731 3.443 10.793 1.00 0.00 WT1 H ATOM 22780 OH2 TIP3 7812 -4.100 2.901 3.922 1.00 0.00 WT1 O ATOM 22781 H1 TIP3 7812 6.137 9.122 12.445 1.00 0.00 WT1 H ATOM 22782 H2 TIP3 7812 -0.942 14.215 0.607 1.00 0.00 WT1 H ATOM 22783 OH2 TIP3 7813 7.352 -3.895 6.358 1.00 0.00 WT1 O ATOM 22784 H1 TIP3 7813 2.820 -6.901 -4.149 1.00 0.00 WT1 H ATOM 22785 H2 TIP3 7813 -12.791 2.236 5.646 1.00 0.00 WT1 H ATOM 22786 OH2 TIP3 7814 2.249 3.458 -2.264 1.00 0.00 WT1 O ATOM 22787 H1 TIP3 7814 -5.968 6.685 12.236 1.00 0.00 WT1 H ATOM 22788 H2 TIP3 7814 1.561 1.777 -8.851 1.00 0.00 WT1 H ATOM 22789 OH2 TIP3 7815 -1.252 1.197 -1.714 1.00 0.00 WT1 O ATOM 22790 H1 TIP3 7815 -1.540 -9.450 -2.276 1.00 0.00 WT1 H ATOM 22791 H2 TIP3 7815 -4.736 -1.499 7.327 1.00 0.00 WT1 H ATOM 22792 OH2 TIP3 7816 1.559 7.499 -2.762 1.00 0.00 WT1 O ATOM 22793 H1 TIP3 7816 7.390 7.685 -0.254 1.00 0.00 WT1 H ATOM 22794 H2 TIP3 7816 0.341 2.273 2.221 1.00 0.00 WT1 H ATOM 22795 OH2 TIP3 7817 -2.768 1.828 -6.792 1.00 0.00 WT1 O ATOM 22796 H1 TIP3 7817 29.207 -9.572 9.731 1.00 0.00 WT1 H ATOM 22797 H2 TIP3 7817 -12.914 12.888 12.917 1.00 0.00 WT1 H ATOM 22798 OH2 TIP3 7818 5.261 3.076 -1.336 1.00 0.00 WT1 O ATOM 22799 H1 TIP3 7818 0.145 -6.296 23.469 1.00 0.00 WT1 H ATOM 22800 H2 TIP3 7818 -0.310 18.317 -14.774 1.00 0.00 WT1 H ATOM 22801 OH2 TIP3 7819 7.417 -2.165 2.367 1.00 0.00 WT1 O ATOM 22802 H1 TIP3 7819 7.282 -4.150 1.910 1.00 0.00 WT1 H ATOM 22803 H2 TIP3 7819 9.008 -19.747 1.665 1.00 0.00 WT1 H ATOM 22804 OH2 TIP3 7820 5.688 -0.656 1.152 1.00 0.00 WT1 O ATOM 22805 H1 TIP3 7820 6.036 -9.345 -1.961 1.00 0.00 WT1 H ATOM 22806 H2 TIP3 7820 20.325 -15.087 16.005 1.00 0.00 WT1 H ATOM 22807 OH2 TIP3 7821 -0.826 -3.738 -0.636 1.00 0.00 WT1 O ATOM 22808 H1 TIP3 7821 14.239 -7.752 -4.087 1.00 0.00 WT1 H ATOM 22809 H2 TIP3 7821 -4.867 -16.070 11.384 1.00 0.00 WT1 H ATOM 22810 OH2 TIP3 7822 5.155 0.084 0.569 1.00 0.00 WT1 O ATOM 22811 H1 TIP3 7822 -1.027 0.362 0.077 1.00 0.00 WT1 H ATOM 22812 H2 TIP3 7822 -3.172 4.205 2.872 1.00 0.00 WT1 H ATOM 22813 OH2 TIP3 7823 -4.142 -7.499 -5.424 1.00 0.00 WT1 O ATOM 22814 H1 TIP3 7823 -2.500 -8.050 1.509 1.00 0.00 WT1 H ATOM 22815 H2 TIP3 7823 -3.917 -7.498 4.298 1.00 0.00 WT1 H ATOM 22816 OH2 TIP3 7824 -0.835 5.164 -2.154 1.00 0.00 WT1 O ATOM 22817 H1 TIP3 7824 -13.252 -0.864 -11.364 1.00 0.00 WT1 H ATOM 22818 H2 TIP3 7824 22.199 10.247 14.238 1.00 0.00 WT1 H ATOM 22819 OH2 TIP3 7825 1.200 -2.108 4.225 1.00 0.00 WT1 O ATOM 22820 H1 TIP3 7825 3.443 18.137 14.418 1.00 0.00 WT1 H ATOM 22821 H2 TIP3 7825 -11.926 21.106 -13.122 1.00 0.00 WT1 H ATOM 22822 OH2 TIP3 7826 -6.261 4.229 7.590 1.00 0.00 WT1 O ATOM 22823 H1 TIP3 7826 12.087 -14.624 19.853 1.00 0.00 WT1 H ATOM 22824 H2 TIP3 7826 -5.165 -5.891 14.362 1.00 0.00 WT1 H ATOM 22825 OH2 TIP3 7827 0.264 5.266 -2.652 1.00 0.00 WT1 O ATOM 22826 H1 TIP3 7827 20.148 -4.913 -32.943 1.00 0.00 WT1 H ATOM 22827 H2 TIP3 7827 2.093 1.362 -2.768 1.00 0.00 WT1 H ATOM 22828 OH2 TIP3 7828 -1.078 -3.572 -4.545 1.00 0.00 WT1 O ATOM 22829 H1 TIP3 7828 -10.546 -1.339 -2.718 1.00 0.00 WT1 H ATOM 22830 H2 TIP3 7828 3.617 6.415 -3.877 1.00 0.00 WT1 H ATOM 22831 OH2 TIP3 7829 -0.673 1.614 -4.722 1.00 0.00 WT1 O ATOM 22832 H1 TIP3 7829 -8.213 5.473 -4.730 1.00 0.00 WT1 H ATOM 22833 H2 TIP3 7829 -14.948 -22.412 15.002 1.00 0.00 WT1 H ATOM 22834 OH2 TIP3 7830 -7.578 -0.512 -0.494 1.00 0.00 WT1 O ATOM 22835 H1 TIP3 7830 0.535 -8.219 -11.402 1.00 0.00 WT1 H ATOM 22836 H2 TIP3 7830 6.402 -8.852 -14.848 1.00 0.00 WT1 H ATOM 22837 OH2 TIP3 7831 -3.884 -4.213 -4.559 1.00 0.00 WT1 O ATOM 22838 H1 TIP3 7831 9.546 -1.709 2.687 1.00 0.00 WT1 H ATOM 22839 H2 TIP3 7831 -0.825 5.004 11.646 1.00 0.00 WT1 H ATOM 22840 OH2 TIP3 7832 -1.280 -4.139 3.298 1.00 0.00 WT1 O ATOM 22841 H1 TIP3 7832 -14.491 6.581 -3.427 1.00 0.00 WT1 H ATOM 22842 H2 TIP3 7832 -9.430 -11.123 -0.176 1.00 0.00 WT1 H ATOM 22843 OH2 TIP3 7833 -3.463 -4.024 -4.490 1.00 0.00 WT1 O ATOM 22844 H1 TIP3 7833 -10.193 -25.876 3.089 1.00 0.00 WT1 H ATOM 22845 H2 TIP3 7833 5.517 26.416 -6.606 1.00 0.00 WT1 H ATOM 22846 OH2 TIP3 7834 5.489 1.605 4.088 1.00 0.00 WT1 O ATOM 22847 H1 TIP3 7834 -2.684 19.804 21.307 1.00 0.00 WT1 H ATOM 22848 H2 TIP3 7834 5.461 9.958 24.203 1.00 0.00 WT1 H ATOM 22849 OH2 TIP3 7835 5.197 -3.932 -0.600 1.00 0.00 WT1 O ATOM 22850 H1 TIP3 7835 -5.988 0.666 -4.221 1.00 0.00 WT1 H ATOM 22851 H2 TIP3 7835 35.691 -26.778 8.844 1.00 0.00 WT1 H ATOM 22852 OH2 TIP3 7836 -0.148 1.316 -1.193 1.00 0.00 WT1 O ATOM 22853 H1 TIP3 7836 8.556 2.093 20.794 1.00 0.00 WT1 H ATOM 22854 H2 TIP3 7836 0.885 9.242 -20.671 1.00 0.00 WT1 H ATOM 22855 OH2 TIP3 7837 0.429 -1.861 -5.819 1.00 0.00 WT1 O ATOM 22856 H1 TIP3 7837 2.931 8.423 -14.853 1.00 0.00 WT1 H ATOM 22857 H2 TIP3 7837 -10.021 -15.718 -5.669 1.00 0.00 WT1 H ATOM 22858 OH2 TIP3 7838 -4.164 1.077 0.282 1.00 0.00 WT1 O ATOM 22859 H1 TIP3 7838 -35.559 7.916 -7.809 1.00 0.00 WT1 H ATOM 22860 H2 TIP3 7838 -17.151 -4.360 4.762 1.00 0.00 WT1 H ATOM 22861 OH2 TIP3 7839 2.600 0.254 3.653 1.00 0.00 WT1 O ATOM 22862 H1 TIP3 7839 1.668 -27.856 26.731 1.00 0.00 WT1 H ATOM 22863 H2 TIP3 7839 0.710 8.962 6.068 1.00 0.00 WT1 H ATOM 22864 OH2 TIP3 7840 -2.890 1.250 -1.291 1.00 0.00 WT1 O ATOM 22865 H1 TIP3 7840 19.498 -11.531 -8.568 1.00 0.00 WT1 H ATOM 22866 H2 TIP3 7840 0.401 -3.228 16.391 1.00 0.00 WT1 H ATOM 22867 OH2 TIP3 7841 -2.267 -1.653 0.769 1.00 0.00 WT1 O ATOM 22868 H1 TIP3 7841 -7.055 -1.010 7.866 1.00 0.00 WT1 H ATOM 22869 H2 TIP3 7841 -18.482 5.356 -2.857 1.00 0.00 WT1 H ATOM 22870 OH2 TIP3 7842 7.625 -0.677 -3.206 1.00 0.00 WT1 O ATOM 22871 H1 TIP3 7842 -6.282 15.187 -16.419 1.00 0.00 WT1 H ATOM 22872 H2 TIP3 7842 4.089 -1.720 -3.759 1.00 0.00 WT1 H ATOM 22873 OH2 TIP3 7843 -2.218 5.551 3.325 1.00 0.00 WT1 O ATOM 22874 H1 TIP3 7843 1.123 6.293 4.064 1.00 0.00 WT1 H ATOM 22875 H2 TIP3 7843 10.698 -4.965 11.006 1.00 0.00 WT1 H ATOM 22876 OH2 TIP3 7844 4.301 1.081 1.765 1.00 0.00 WT1 O ATOM 22877 H1 TIP3 7844 -3.385 2.223 -2.902 1.00 0.00 WT1 H ATOM 22878 H2 TIP3 7844 19.647 15.711 -19.787 1.00 0.00 WT1 H ATOM 22879 OH2 TIP3 7845 -3.318 3.602 -0.258 1.00 0.00 WT1 O ATOM 22880 H1 TIP3 7845 -7.945 -15.890 -7.150 1.00 0.00 WT1 H ATOM 22881 H2 TIP3 7845 -4.893 -4.640 13.759 1.00 0.00 WT1 H ATOM 22882 OH2 TIP3 7846 -1.804 3.952 6.015 1.00 0.00 WT1 O ATOM 22883 H1 TIP3 7846 -28.184 9.270 2.964 1.00 0.00 WT1 H ATOM 22884 H2 TIP3 7846 -9.721 3.072 0.134 1.00 0.00 WT1 H ATOM 22885 OH2 TIP3 7847 3.634 -0.112 -0.297 1.00 0.00 WT1 O ATOM 22886 H1 TIP3 7847 -14.322 9.044 -4.047 1.00 0.00 WT1 H ATOM 22887 H2 TIP3 7847 1.768 -10.648 16.242 1.00 0.00 WT1 H ATOM 22888 OH2 TIP3 7849 -4.137 4.342 3.386 1.00 0.00 WT1 O ATOM 22889 H1 TIP3 7849 -14.133 -8.175 -2.781 1.00 0.00 WT1 H ATOM 22890 H2 TIP3 7849 -5.410 9.662 4.113 1.00 0.00 WT1 H ATOM 22891 OH2 TIP3 7850 -3.334 -0.407 -1.909 1.00 0.00 WT1 O ATOM 22892 H1 TIP3 7850 -3.307 0.545 -4.763 1.00 0.00 WT1 H ATOM 22893 H2 TIP3 7850 5.711 2.834 -2.482 1.00 0.00 WT1 H ATOM 22894 OH2 TIP3 7851 -5.369 -1.959 -0.994 1.00 0.00 WT1 O ATOM 22895 H1 TIP3 7851 20.014 16.186 5.419 1.00 0.00 WT1 H ATOM 22896 H2 TIP3 7851 -14.528 -2.340 -5.225 1.00 0.00 WT1 H ATOM 22897 OH2 TIP3 7852 0.652 -2.814 1.458 1.00 0.00 WT1 O ATOM 22898 H1 TIP3 7852 -16.121 -19.471 -11.630 1.00 0.00 WT1 H ATOM 22899 H2 TIP3 7852 18.652 -1.150 -25.605 1.00 0.00 WT1 H ATOM 22900 OH2 TIP3 7853 2.261 6.610 0.741 1.00 0.00 WT1 O ATOM 22901 H1 TIP3 7853 2.365 16.145 6.774 1.00 0.00 WT1 H ATOM 22902 H2 TIP3 7853 9.532 0.657 2.741 1.00 0.00 WT1 H ATOM 22903 OH2 TIP3 7854 4.689 -1.901 -4.093 1.00 0.00 WT1 O ATOM 22904 H1 TIP3 7854 9.240 -4.061 -10.255 1.00 0.00 WT1 H ATOM 22905 H2 TIP3 7854 -0.319 3.944 1.079 1.00 0.00 WT1 H ATOM 22906 OH2 TIP3 7856 -1.175 7.773 -2.949 1.00 0.00 WT1 O ATOM 22907 H1 TIP3 7856 -9.297 12.225 -14.481 1.00 0.00 WT1 H ATOM 22908 H2 TIP3 7856 3.807 4.647 27.990 1.00 0.00 WT1 H ATOM 22909 OH2 TIP3 7857 5.169 6.945 0.372 1.00 0.00 WT1 O ATOM 22910 H1 TIP3 7857 28.272 8.643 -3.997 1.00 0.00 WT1 H ATOM 22911 H2 TIP3 7857 8.530 7.953 -0.859 1.00 0.00 WT1 H ATOM 22912 OH2 TIP3 7858 4.573 -1.128 1.243 1.00 0.00 WT1 O ATOM 22913 H1 TIP3 7858 1.335 -7.020 8.056 1.00 0.00 WT1 H ATOM 22914 H2 TIP3 7858 12.377 -10.979 2.691 1.00 0.00 WT1 H ATOM 22915 OH2 TIP3 7859 -4.216 -4.626 -3.578 1.00 0.00 WT1 O ATOM 22916 H1 TIP3 7859 -11.093 -9.096 11.655 1.00 0.00 WT1 H ATOM 22917 H2 TIP3 7859 -4.390 14.117 -4.187 1.00 0.00 WT1 H ATOM 22918 OH2 TIP3 7860 4.971 -0.470 4.496 1.00 0.00 WT1 O ATOM 22919 H1 TIP3 7860 5.569 2.113 -6.594 1.00 0.00 WT1 H ATOM 22920 H2 TIP3 7860 3.172 -0.239 -4.226 1.00 0.00 WT1 H ATOM 22921 OH2 TIP3 7861 -1.069 -1.859 6.864 1.00 0.00 WT1 O ATOM 22922 H1 TIP3 7861 -13.686 9.432 15.414 1.00 0.00 WT1 H ATOM 22923 H2 TIP3 7861 -8.144 -15.388 1.380 1.00 0.00 WT1 H ATOM 22924 OH2 TIP3 7862 1.121 2.525 3.717 1.00 0.00 WT1 O ATOM 22925 H1 TIP3 7862 -12.855 -11.851 -0.651 1.00 0.00 WT1 H ATOM 22926 H2 TIP3 7862 5.543 -6.974 -4.847 1.00 0.00 WT1 H ATOM 22927 OH2 TIP3 7863 2.666 -11.324 -1.524 1.00 0.00 WT1 O ATOM 22928 H1 TIP3 7863 0.186 -11.063 19.101 1.00 0.00 WT1 H ATOM 22929 H2 TIP3 7863 13.441 1.001 -2.960 1.00 0.00 WT1 H ATOM 22930 OH2 TIP3 7864 5.597 0.280 1.742 1.00 0.00 WT1 O ATOM 22931 H1 TIP3 7864 -4.302 -5.699 -8.167 1.00 0.00 WT1 H ATOM 22932 H2 TIP3 7864 28.357 2.602 -1.095 1.00 0.00 WT1 H ATOM 22933 OH2 TIP3 7865 0.869 3.682 -6.090 1.00 0.00 WT1 O ATOM 22934 H1 TIP3 7865 22.171 16.127 20.447 1.00 0.00 WT1 H ATOM 22935 H2 TIP3 7865 -27.517 1.462 -2.015 1.00 0.00 WT1 H ATOM 22936 OH2 TIP3 7866 -3.432 2.608 -2.751 1.00 0.00 WT1 O ATOM 22937 H1 TIP3 7866 -0.834 -18.728 5.556 1.00 0.00 WT1 H ATOM 22938 H2 TIP3 7866 -2.388 -2.120 -0.087 1.00 0.00 WT1 H ATOM 22939 OH2 TIP3 7867 -5.096 2.910 -5.834 1.00 0.00 WT1 O ATOM 22940 H1 TIP3 7867 -21.221 0.479 16.023 1.00 0.00 WT1 H ATOM 22941 H2 TIP3 7867 -0.185 -15.047 -18.430 1.00 0.00 WT1 H ATOM 22942 OH2 TIP3 7868 -4.919 -2.096 0.566 1.00 0.00 WT1 O ATOM 22943 H1 TIP3 7868 -0.969 -7.658 17.263 1.00 0.00 WT1 H ATOM 22944 H2 TIP3 7868 -18.691 25.007 6.530 1.00 0.00 WT1 H ATOM 22945 OH2 TIP3 7869 3.050 8.406 8.204 1.00 0.00 WT1 O ATOM 22946 H1 TIP3 7869 17.005 0.405 -2.776 1.00 0.00 WT1 H ATOM 22947 H2 TIP3 7869 8.226 1.560 1.786 1.00 0.00 WT1 H ATOM 22948 OH2 TIP3 7870 -5.446 -0.268 0.020 1.00 0.00 WT1 O ATOM 22949 H1 TIP3 7870 4.973 5.491 9.272 1.00 0.00 WT1 H ATOM 22950 H2 TIP3 7870 3.706 5.560 8.551 1.00 0.00 WT1 H ATOM 22951 OH2 TIP3 7871 -4.155 6.860 -1.153 1.00 0.00 WT1 O ATOM 22952 H1 TIP3 7871 4.077 -2.766 5.652 1.00 0.00 WT1 H ATOM 22953 H2 TIP3 7871 -25.740 19.039 -2.153 1.00 0.00 WT1 H ATOM 22954 OH2 TIP3 7872 1.731 3.906 -0.509 1.00 0.00 WT1 O ATOM 22955 H1 TIP3 7872 5.536 -8.379 -9.932 1.00 0.00 WT1 H ATOM 22956 H2 TIP3 7872 -8.828 -17.550 -2.655 1.00 0.00 WT1 H ATOM 22957 OH2 TIP3 7874 -1.437 -3.042 -2.000 1.00 0.00 WT1 O ATOM 22958 H1 TIP3 7874 -3.208 4.966 13.613 1.00 0.00 WT1 H ATOM 22959 H2 TIP3 7874 13.776 8.990 -14.935 1.00 0.00 WT1 H ATOM 22960 OH2 TIP3 7875 1.995 0.736 -3.047 1.00 0.00 WT1 O ATOM 22961 H1 TIP3 7875 0.135 -4.804 -9.239 1.00 0.00 WT1 H ATOM 22962 H2 TIP3 7875 8.724 6.225 -2.786 1.00 0.00 WT1 H ATOM 22963 OH2 TIP3 7877 -2.173 0.337 -4.180 1.00 0.00 WT1 O ATOM 22964 H1 TIP3 7877 -6.892 14.123 -3.816 1.00 0.00 WT1 H ATOM 22965 H2 TIP3 7877 -1.687 5.474 -5.733 1.00 0.00 WT1 H ATOM 22966 OH2 TIP3 7878 -5.029 -1.591 0.018 1.00 0.00 WT1 O ATOM 22967 H1 TIP3 7878 2.026 -14.059 13.154 1.00 0.00 WT1 H ATOM 22968 H2 TIP3 7878 -0.990 0.605 -5.035 1.00 0.00 WT1 H ATOM 22969 OH2 TIP3 7879 -7.201 1.108 -3.504 1.00 0.00 WT1 O ATOM 22970 H1 TIP3 7879 -11.520 2.001 -2.885 1.00 0.00 WT1 H ATOM 22971 H2 TIP3 7879 -12.785 6.364 -2.432 1.00 0.00 WT1 H ATOM 22972 OH2 TIP3 7880 -9.764 -1.089 -1.812 1.00 0.00 WT1 O ATOM 22973 H1 TIP3 7880 -11.661 -1.526 7.095 1.00 0.00 WT1 H ATOM 22974 H2 TIP3 7880 4.538 -8.443 19.310 1.00 0.00 WT1 H ATOM 22975 OH2 TIP3 7881 0.810 1.886 4.500 1.00 0.00 WT1 O ATOM 22976 H1 TIP3 7881 19.750 8.723 5.356 1.00 0.00 WT1 H ATOM 22977 H2 TIP3 7881 -9.742 12.761 17.078 1.00 0.00 WT1 H ATOM 22978 OH2 TIP3 7882 6.740 -6.052 2.031 1.00 0.00 WT1 O ATOM 22979 H1 TIP3 7882 8.606 -2.575 2.832 1.00 0.00 WT1 H ATOM 22980 H2 TIP3 7882 16.141 6.268 11.185 1.00 0.00 WT1 H ATOM 22981 OH2 TIP3 7883 -0.165 2.624 -2.090 1.00 0.00 WT1 O ATOM 22982 H1 TIP3 7883 1.210 0.569 1.592 1.00 0.00 WT1 H ATOM 22983 H2 TIP3 7883 -6.394 -12.468 -2.395 1.00 0.00 WT1 H ATOM 22984 OH2 TIP3 7884 -4.374 2.340 0.540 1.00 0.00 WT1 O ATOM 22985 H1 TIP3 7884 -10.160 6.455 -35.952 1.00 0.00 WT1 H ATOM 22986 H2 TIP3 7884 -2.900 -17.524 0.761 1.00 0.00 WT1 H ATOM 22987 OH2 TIP3 7885 -1.873 -3.480 1.674 1.00 0.00 WT1 O ATOM 22988 H1 TIP3 7885 -11.296 -18.487 -7.521 1.00 0.00 WT1 H ATOM 22989 H2 TIP3 7885 -13.398 0.229 18.784 1.00 0.00 WT1 H ATOM 22990 OH2 TIP3 7886 0.959 -0.918 -0.942 1.00 0.00 WT1 O ATOM 22991 H1 TIP3 7886 1.829 5.350 -5.345 1.00 0.00 WT1 H ATOM 22992 H2 TIP3 7886 0.877 14.200 -2.340 1.00 0.00 WT1 H ATOM 22993 OH2 TIP3 7887 0.970 -4.998 0.113 1.00 0.00 WT1 O ATOM 22994 H1 TIP3 7887 1.899 -7.472 -2.461 1.00 0.00 WT1 H ATOM 22995 H2 TIP3 7887 -22.351 -10.277 -13.771 1.00 0.00 WT1 H ATOM 22996 OH2 TIP3 7889 1.241 -0.247 1.933 1.00 0.00 WT1 O ATOM 22997 H1 TIP3 7889 0.332 -13.013 -0.377 1.00 0.00 WT1 H ATOM 22998 H2 TIP3 7889 -26.030 -12.552 10.565 1.00 0.00 WT1 H ATOM 22999 OH2 TIP3 7890 -0.084 -6.114 6.353 1.00 0.00 WT1 O ATOM 23000 H1 TIP3 7890 24.875 -17.834 -3.762 1.00 0.00 WT1 H ATOM 23001 H2 TIP3 7890 -2.818 6.650 13.827 1.00 0.00 WT1 H ATOM 23002 OH2 TIP3 7891 -3.961 -0.387 -3.976 1.00 0.00 WT1 O ATOM 23003 H1 TIP3 7891 3.724 5.849 -5.409 1.00 0.00 WT1 H ATOM 23004 H2 TIP3 7891 -17.802 7.531 6.147 1.00 0.00 WT1 H ATOM 23005 OH2 TIP3 7892 -5.091 1.453 5.983 1.00 0.00 WT1 O ATOM 23006 H1 TIP3 7892 -9.790 16.786 3.690 1.00 0.00 WT1 H ATOM 23007 H2 TIP3 7892 -8.007 -3.623 -6.112 1.00 0.00 WT1 H ATOM 23008 OH2 TIP3 7893 -0.848 -6.437 0.953 1.00 0.00 WT1 O ATOM 23009 H1 TIP3 7893 -6.907 -3.267 -3.508 1.00 0.00 WT1 H ATOM 23010 H2 TIP3 7893 26.432 -8.311 -9.840 1.00 0.00 WT1 H ATOM 23011 OH2 TIP3 7895 1.955 -3.219 1.018 1.00 0.00 WT1 O ATOM 23012 H1 TIP3 7895 14.841 4.799 -5.703 1.00 0.00 WT1 H ATOM 23013 H2 TIP3 7895 -26.761 -11.622 -2.330 1.00 0.00 WT1 H ATOM 23014 OH2 TIP3 7896 -0.920 -2.353 8.014 1.00 0.00 WT1 O ATOM 23015 H1 TIP3 7896 -10.072 0.047 13.647 1.00 0.00 WT1 H ATOM 23016 H2 TIP3 7896 22.084 -6.883 -3.077 1.00 0.00 WT1 H ATOM 23017 OH2 TIP3 7897 6.617 2.448 4.029 1.00 0.00 WT1 O ATOM 23018 H1 TIP3 7897 0.265 -3.872 0.622 1.00 0.00 WT1 H ATOM 23019 H2 TIP3 7897 2.618 2.443 -14.092 1.00 0.00 WT1 H ATOM 23020 OH2 TIP3 7899 -3.978 0.106 3.020 1.00 0.00 WT1 O ATOM 23021 H1 TIP3 7899 -5.482 3.478 -7.461 1.00 0.00 WT1 H ATOM 23022 H2 TIP3 7899 -10.882 10.300 -30.648 1.00 0.00 WT1 H ATOM 23023 OH2 TIP3 7900 3.375 5.147 1.030 1.00 0.00 WT1 O ATOM 23024 H1 TIP3 7900 1.879 13.215 19.002 1.00 0.00 WT1 H ATOM 23025 H2 TIP3 7900 -0.237 -14.666 -6.186 1.00 0.00 WT1 H ATOM 23026 OH2 TIP3 7901 6.186 2.512 -2.127 1.00 0.00 WT1 O ATOM 23027 H1 TIP3 7901 6.462 26.460 -25.561 1.00 0.00 WT1 H ATOM 23028 H2 TIP3 7901 -11.148 7.439 5.712 1.00 0.00 WT1 H ATOM 23029 OH2 TIP3 7902 -0.629 -6.179 2.404 1.00 0.00 WT1 O ATOM 23030 H1 TIP3 7902 0.035 -8.825 2.076 1.00 0.00 WT1 H ATOM 23031 H2 TIP3 7902 14.490 8.780 5.119 1.00 0.00 WT1 H ATOM 23032 OH2 TIP3 7904 2.135 3.042 0.633 1.00 0.00 WT1 O ATOM 23033 H1 TIP3 7904 -5.168 -22.410 -25.448 1.00 0.00 WT1 H ATOM 23034 H2 TIP3 7904 -0.491 -0.980 14.310 1.00 0.00 WT1 H ATOM 23035 OH2 TIP3 7905 4.782 0.242 -2.619 1.00 0.00 WT1 O ATOM 23036 H1 TIP3 7905 7.722 8.439 -1.690 1.00 0.00 WT1 H ATOM 23037 H2 TIP3 7905 -5.677 -4.142 2.232 1.00 0.00 WT1 H ATOM 23038 OH2 TIP3 7906 -5.289 8.098 0.616 1.00 0.00 WT1 O ATOM 23039 H1 TIP3 7906 -1.045 0.469 22.366 1.00 0.00 WT1 H ATOM 23040 H2 TIP3 7906 9.521 13.876 -3.241 1.00 0.00 WT1 H ATOM 23041 OH2 TIP3 7907 0.178 1.970 -2.491 1.00 0.00 WT1 O ATOM 23042 H1 TIP3 7907 -22.281 8.562 -4.964 1.00 0.00 WT1 H ATOM 23043 H2 TIP3 7907 -19.409 4.763 21.907 1.00 0.00 WT1 H ATOM 23044 OH2 TIP3 7908 -5.941 3.132 -3.805 1.00 0.00 WT1 O ATOM 23045 H1 TIP3 7908 -17.233 -13.488 4.901 1.00 0.00 WT1 H ATOM 23046 H2 TIP3 7908 9.925 3.109 -2.511 1.00 0.00 WT1 H ATOM 23047 OH2 TIP3 7909 -4.827 7.924 3.199 1.00 0.00 WT1 O ATOM 23048 H1 TIP3 7909 3.993 10.022 4.834 1.00 0.00 WT1 H ATOM 23049 H2 TIP3 7909 8.319 36.788 7.373 1.00 0.00 WT1 H ATOM 23050 OH2 TIP3 7910 -1.054 -2.221 -2.236 1.00 0.00 WT1 O ATOM 23051 H1 TIP3 7910 -6.548 -12.140 -0.531 1.00 0.00 WT1 H ATOM 23052 H2 TIP3 7910 42.716 -0.683 -10.037 1.00 0.00 WT1 H ATOM 23053 OH2 TIP3 7911 8.151 -0.548 -1.248 1.00 0.00 WT1 O ATOM 23054 H1 TIP3 7911 2.285 -2.110 -8.693 1.00 0.00 WT1 H ATOM 23055 H2 TIP3 7911 -7.110 -11.384 9.308 1.00 0.00 WT1 H ATOM 23056 OH2 TIP3 7912 -3.521 -2.274 3.076 1.00 0.00 WT1 O ATOM 23057 H1 TIP3 7912 -8.089 -25.584 11.746 1.00 0.00 WT1 H ATOM 23058 H2 TIP3 7912 6.752 4.103 3.965 1.00 0.00 WT1 H ATOM 23059 OH2 TIP3 7913 2.838 -1.530 6.608 1.00 0.00 WT1 O ATOM 23060 H1 TIP3 7913 -0.610 4.700 22.227 1.00 0.00 WT1 H ATOM 23061 H2 TIP3 7913 17.866 0.196 -19.470 1.00 0.00 WT1 H ATOM 23062 OH2 TIP3 7914 5.891 4.887 -5.137 1.00 0.00 WT1 O ATOM 23063 H1 TIP3 7914 0.137 -2.161 -20.473 1.00 0.00 WT1 H ATOM 23064 H2 TIP3 7914 5.168 22.832 -9.247 1.00 0.00 WT1 H ATOM 23065 OH2 TIP3 7915 -1.753 2.527 -0.098 1.00 0.00 WT1 O ATOM 23066 H1 TIP3 7915 -13.600 -2.906 -0.731 1.00 0.00 WT1 H ATOM 23067 H2 TIP3 7915 -19.583 13.496 3.389 1.00 0.00 WT1 H ATOM 23068 OH2 TIP3 7916 -4.176 -0.523 -1.451 1.00 0.00 WT1 O ATOM 23069 H1 TIP3 7916 -0.066 0.092 1.952 1.00 0.00 WT1 H ATOM 23070 H2 TIP3 7916 -9.858 7.191 4.019 1.00 0.00 WT1 H ATOM 23071 OH2 TIP3 7917 -3.326 2.537 5.012 1.00 0.00 WT1 O ATOM 23072 H1 TIP3 7917 -2.362 -0.703 5.650 1.00 0.00 WT1 H ATOM 23073 H2 TIP3 7917 -4.282 10.551 0.285 1.00 0.00 WT1 H ATOM 23074 OH2 TIP3 7918 -4.997 0.760 -2.615 1.00 0.00 WT1 O ATOM 23075 H1 TIP3 7918 6.093 -24.391 -1.246 1.00 0.00 WT1 H ATOM 23076 H2 TIP3 7918 5.599 18.511 10.138 1.00 0.00 WT1 H ATOM 23077 OH2 TIP3 7919 3.103 1.688 -8.519 1.00 0.00 WT1 O ATOM 23078 H1 TIP3 7919 10.202 -11.768 10.841 1.00 0.00 WT1 H ATOM 23079 H2 TIP3 7919 6.497 -14.739 -19.032 1.00 0.00 WT1 H ATOM 23080 OH2 TIP3 7920 -0.882 -2.609 -1.079 1.00 0.00 WT1 O ATOM 23081 H1 TIP3 7920 2.931 -16.310 10.215 1.00 0.00 WT1 H ATOM 23082 H2 TIP3 7920 10.388 9.629 6.799 1.00 0.00 WT1 H ATOM 23083 OH2 TIP3 7921 -0.094 2.599 3.527 1.00 0.00 WT1 O ATOM 23084 H1 TIP3 7921 9.963 -31.449 -6.057 1.00 0.00 WT1 H ATOM 23085 H2 TIP3 7921 -7.306 -9.318 6.251 1.00 0.00 WT1 H ATOM 23086 OH2 TIP3 7922 1.585 -7.372 0.352 1.00 0.00 WT1 O ATOM 23087 H1 TIP3 7922 16.998 -19.089 11.437 1.00 0.00 WT1 H ATOM 23088 H2 TIP3 7922 26.712 -10.836 -11.275 1.00 0.00 WT1 H ATOM 23089 OH2 TIP3 7923 7.114 1.745 5.228 1.00 0.00 WT1 O ATOM 23090 H1 TIP3 7923 -19.332 -5.008 6.324 1.00 0.00 WT1 H ATOM 23091 H2 TIP3 7923 -0.112 -0.311 -8.479 1.00 0.00 WT1 H ATOM 23092 OH2 TIP3 7924 -2.279 0.209 1.238 1.00 0.00 WT1 O ATOM 23093 H1 TIP3 7924 -3.757 -0.600 9.250 1.00 0.00 WT1 H ATOM 23094 H2 TIP3 7924 -2.685 -1.196 0.248 1.00 0.00 WT1 H ATOM 23095 OH2 TIP3 7925 -8.517 -0.774 -0.791 1.00 0.00 WT1 O ATOM 23096 H1 TIP3 7925 3.293 -1.853 -29.054 1.00 0.00 WT1 H ATOM 23097 H2 TIP3 7925 4.552 -6.509 -13.300 1.00 0.00 WT1 H ATOM 23098 OH2 TIP3 7926 -0.858 -2.894 -7.028 1.00 0.00 WT1 O ATOM 23099 H1 TIP3 7926 -3.589 -17.293 -13.628 1.00 0.00 WT1 H ATOM 23100 H2 TIP3 7926 -3.325 -14.924 -2.007 1.00 0.00 WT1 H ATOM 23101 OH2 TIP3 7927 -1.579 5.566 -4.852 1.00 0.00 WT1 O ATOM 23102 H1 TIP3 7927 -33.228 5.863 -8.574 1.00 0.00 WT1 H ATOM 23103 H2 TIP3 7927 10.249 -10.289 -32.622 1.00 0.00 WT1 H ATOM 23104 OH2 TIP3 7928 0.713 4.308 4.680 1.00 0.00 WT1 O ATOM 23105 H1 TIP3 7928 13.036 4.208 0.750 1.00 0.00 WT1 H ATOM 23106 H2 TIP3 7928 -6.058 -0.654 6.403 1.00 0.00 WT1 H ATOM 23107 OH2 TIP3 7929 6.504 -1.240 -2.598 1.00 0.00 WT1 O ATOM 23108 H1 TIP3 7929 -31.974 3.411 -15.346 1.00 0.00 WT1 H ATOM 23109 H2 TIP3 7929 0.937 -32.496 14.826 1.00 0.00 WT1 H ATOM 23110 OH2 TIP3 7930 -0.476 -1.047 0.671 1.00 0.00 WT1 O ATOM 23111 H1 TIP3 7930 -4.891 -7.458 -13.613 1.00 0.00 WT1 H ATOM 23112 H2 TIP3 7930 21.464 -5.298 26.367 1.00 0.00 WT1 H ATOM 23113 OH2 TIP3 7931 3.088 -4.395 -2.267 1.00 0.00 WT1 O ATOM 23114 H1 TIP3 7931 -10.365 -13.688 -10.005 1.00 0.00 WT1 H ATOM 23115 H2 TIP3 7931 15.161 -3.026 -13.673 1.00 0.00 WT1 H ATOM 23116 OH2 TIP3 7932 4.811 2.022 -0.880 1.00 0.00 WT1 O ATOM 23117 H1 TIP3 7932 14.207 -2.501 -1.705 1.00 0.00 WT1 H ATOM 23118 H2 TIP3 7932 3.179 -2.196 -5.037 1.00 0.00 WT1 H ATOM 23119 OH2 TIP3 7933 1.180 2.752 -7.134 1.00 0.00 WT1 O ATOM 23120 H1 TIP3 7933 -5.651 -10.573 48.386 1.00 0.00 WT1 H ATOM 23121 H2 TIP3 7933 12.632 1.511 -5.435 1.00 0.00 WT1 H ATOM 23122 OH2 TIP3 7934 -3.547 0.125 0.825 1.00 0.00 WT1 O ATOM 23123 H1 TIP3 7934 2.662 7.506 3.706 1.00 0.00 WT1 H ATOM 23124 H2 TIP3 7934 -9.299 11.308 5.722 1.00 0.00 WT1 H ATOM 23125 OH2 TIP3 7935 -2.651 -3.041 -0.593 1.00 0.00 WT1 O ATOM 23126 H1 TIP3 7935 2.720 6.849 15.676 1.00 0.00 WT1 H ATOM 23127 H2 TIP3 7935 11.526 18.572 14.274 1.00 0.00 WT1 H ATOM 23128 OH2 TIP3 7936 3.995 5.249 -6.873 1.00 0.00 WT1 O ATOM 23129 H1 TIP3 7936 0.434 1.186 -1.402 1.00 0.00 WT1 H ATOM 23130 H2 TIP3 7936 4.449 6.775 -9.132 1.00 0.00 WT1 H ATOM 23131 OH2 TIP3 7937 0.412 5.913 4.507 1.00 0.00 WT1 O ATOM 23132 H1 TIP3 7937 -3.406 9.038 -36.864 1.00 0.00 WT1 H ATOM 23133 H2 TIP3 7937 -0.485 -1.348 -5.011 1.00 0.00 WT1 H ATOM 23134 OH2 TIP3 7938 -2.686 -0.012 -2.734 1.00 0.00 WT1 O ATOM 23135 H1 TIP3 7938 8.955 -5.201 -6.253 1.00 0.00 WT1 H ATOM 23136 H2 TIP3 7938 1.587 0.238 -2.137 1.00 0.00 WT1 H ATOM 23137 OH2 TIP3 7939 2.641 4.834 -2.944 1.00 0.00 WT1 O ATOM 23138 H1 TIP3 7939 13.205 13.662 8.882 1.00 0.00 WT1 H ATOM 23139 H2 TIP3 7939 -4.484 12.091 -16.940 1.00 0.00 WT1 H ATOM 23140 OH2 TIP3 7940 -3.595 1.641 3.036 1.00 0.00 WT1 O ATOM 23141 H1 TIP3 7940 4.445 -8.930 -1.853 1.00 0.00 WT1 H ATOM 23142 H2 TIP3 7940 -10.585 9.168 -13.619 1.00 0.00 WT1 H ATOM 23143 OH2 TIP3 7941 2.839 -2.014 -1.415 1.00 0.00 WT1 O ATOM 23144 H1 TIP3 7941 -4.009 3.773 -4.484 1.00 0.00 WT1 H ATOM 23145 H2 TIP3 7941 -12.156 1.476 2.045 1.00 0.00 WT1 H ATOM 23146 OH2 TIP3 7942 2.750 2.105 0.777 1.00 0.00 WT1 O ATOM 23147 H1 TIP3 7942 5.798 -1.068 8.451 1.00 0.00 WT1 H ATOM 23148 H2 TIP3 7942 -12.226 11.523 -2.077 1.00 0.00 WT1 H ATOM 23149 OH2 TIP3 7943 3.547 1.528 -2.626 1.00 0.00 WT1 O ATOM 23150 H1 TIP3 7943 -17.708 2.555 27.626 1.00 0.00 WT1 H ATOM 23151 H2 TIP3 7943 9.749 8.526 -10.528 1.00 0.00 WT1 H ATOM 23152 OH2 TIP3 7944 -1.117 -2.125 0.373 1.00 0.00 WT1 O ATOM 23153 H1 TIP3 7944 32.142 4.024 -7.666 1.00 0.00 WT1 H ATOM 23154 H2 TIP3 7944 0.210 -14.789 -4.439 1.00 0.00 WT1 H ATOM 23155 OH2 TIP3 7945 3.135 3.080 -6.138 1.00 0.00 WT1 O ATOM 23156 H1 TIP3 7945 17.529 -7.197 -15.892 1.00 0.00 WT1 H ATOM 23157 H2 TIP3 7945 49.642 0.961 -10.387 1.00 0.00 WT1 H ATOM 23158 OH2 TIP3 7946 3.841 -4.339 5.993 1.00 0.00 WT1 O ATOM 23159 H1 TIP3 7946 -10.613 -13.041 2.466 1.00 0.00 WT1 H ATOM 23160 H2 TIP3 7946 9.611 -14.120 13.068 1.00 0.00 WT1 H ATOM 23161 OH2 TIP3 7947 -0.853 -0.360 -3.305 1.00 0.00 WT1 O ATOM 23162 H1 TIP3 7947 -11.121 -5.691 0.322 1.00 0.00 WT1 H ATOM 23163 H2 TIP3 7947 -5.718 11.443 -14.594 1.00 0.00 WT1 H ATOM 23164 OH2 TIP3 7948 -1.378 -0.149 7.301 1.00 0.00 WT1 O ATOM 23165 H1 TIP3 7948 -9.671 -2.333 6.725 1.00 0.00 WT1 H ATOM 23166 H2 TIP3 7948 -0.849 14.028 5.958 1.00 0.00 WT1 H ATOM 23167 OH2 TIP3 7949 -2.238 3.409 -0.447 1.00 0.00 WT1 O ATOM 23168 H1 TIP3 7949 15.896 -0.159 -32.721 1.00 0.00 WT1 H ATOM 23169 H2 TIP3 7949 8.912 0.959 -17.781 1.00 0.00 WT1 H ATOM 23170 OH2 TIP3 7950 0.961 6.506 2.624 1.00 0.00 WT1 O ATOM 23171 H1 TIP3 7950 1.631 7.168 19.639 1.00 0.00 WT1 H ATOM 23172 H2 TIP3 7950 10.247 22.284 -1.607 1.00 0.00 WT1 H ATOM 23173 OH2 TIP3 7951 -1.983 -0.892 -0.757 1.00 0.00 WT1 O ATOM 23174 H1 TIP3 7951 3.015 -12.389 -12.441 1.00 0.00 WT1 H ATOM 23175 H2 TIP3 7951 18.447 1.667 0.677 1.00 0.00 WT1 H ATOM 23176 OH2 TIP3 7952 1.363 8.080 -6.605 1.00 0.00 WT1 O ATOM 23177 H1 TIP3 7952 0.755 -4.910 4.222 1.00 0.00 WT1 H ATOM 23178 H2 TIP3 7952 -2.759 -5.631 -18.882 1.00 0.00 WT1 H ATOM 23179 OH2 TIP3 7953 4.372 -1.291 -3.236 1.00 0.00 WT1 O ATOM 23180 H1 TIP3 7953 0.299 -4.114 -14.551 1.00 0.00 WT1 H ATOM 23181 H2 TIP3 7953 11.251 -1.967 -8.377 1.00 0.00 WT1 H ATOM 23182 OH2 TIP3 7954 -7.474 -1.625 -0.010 1.00 0.00 WT1 O ATOM 23183 H1 TIP3 7954 -10.760 5.418 -1.697 1.00 0.00 WT1 H ATOM 23184 H2 TIP3 7954 -12.622 -7.822 5.349 1.00 0.00 WT1 H ATOM 23185 OH2 TIP3 7955 2.053 -4.573 -3.647 1.00 0.00 WT1 O ATOM 23186 H1 TIP3 7955 -12.253 8.377 -22.032 1.00 0.00 WT1 H ATOM 23187 H2 TIP3 7955 6.109 -17.224 -2.922 1.00 0.00 WT1 H ATOM 23188 OH2 TIP3 7956 -5.404 3.953 5.094 1.00 0.00 WT1 O ATOM 23189 H1 TIP3 7956 -11.470 -7.554 3.040 1.00 0.00 WT1 H ATOM 23190 H2 TIP3 7956 19.750 13.858 2.572 1.00 0.00 WT1 H ATOM 23191 OH2 TIP3 7957 -6.944 0.864 -2.505 1.00 0.00 WT1 O ATOM 23192 H1 TIP3 7957 2.961 -32.373 7.199 1.00 0.00 WT1 H ATOM 23193 H2 TIP3 7957 -2.053 -28.500 11.927 1.00 0.00 WT1 H ATOM 23194 OH2 TIP3 7958 -5.880 1.643 1.855 1.00 0.00 WT1 O ATOM 23195 H1 TIP3 7958 -8.034 4.762 32.325 1.00 0.00 WT1 H ATOM 23196 H2 TIP3 7958 17.834 -14.063 0.511 1.00 0.00 WT1 H ATOM 23197 OH2 TIP3 7959 4.641 1.483 4.027 1.00 0.00 WT1 O ATOM 23198 H1 TIP3 7959 -17.204 -11.283 26.482 1.00 0.00 WT1 H ATOM 23199 H2 TIP3 7959 -1.141 -9.295 1.818 1.00 0.00 WT1 H ATOM 23200 OH2 TIP3 7960 -4.997 2.454 2.331 1.00 0.00 WT1 O ATOM 23201 H1 TIP3 7960 2.917 2.163 4.468 1.00 0.00 WT1 H ATOM 23202 H2 TIP3 7960 8.627 -4.251 -2.356 1.00 0.00 WT1 H ATOM 23203 OH2 TIP3 7962 1.038 1.895 0.253 1.00 0.00 WT1 O ATOM 23204 H1 TIP3 7962 13.717 -4.245 10.189 1.00 0.00 WT1 H ATOM 23205 H2 TIP3 7962 -9.329 -0.537 1.829 1.00 0.00 WT1 H ATOM 23206 OH2 TIP3 7963 -0.313 3.140 3.116 1.00 0.00 WT1 O ATOM 23207 H1 TIP3 7963 17.446 -16.595 -6.860 1.00 0.00 WT1 H ATOM 23208 H2 TIP3 7963 8.550 -8.298 12.025 1.00 0.00 WT1 H ATOM 23209 OH2 TIP3 7964 -1.654 -0.826 0.077 1.00 0.00 WT1 O ATOM 23210 H1 TIP3 7964 -5.993 -0.199 18.076 1.00 0.00 WT1 H ATOM 23211 H2 TIP3 7964 11.322 -14.906 -3.562 1.00 0.00 WT1 H ATOM 23212 OH2 TIP3 7965 7.081 -9.681 -0.640 1.00 0.00 WT1 O ATOM 23213 H1 TIP3 7965 11.180 -18.892 8.703 1.00 0.00 WT1 H ATOM 23214 H2 TIP3 7965 9.936 -17.704 8.569 1.00 0.00 WT1 H ATOM 23215 OH2 TIP3 7966 3.729 4.965 2.427 1.00 0.00 WT1 O ATOM 23216 H1 TIP3 7966 6.978 -5.235 -1.699 1.00 0.00 WT1 H ATOM 23217 H2 TIP3 7966 -13.115 -2.290 -0.148 1.00 0.00 WT1 H ATOM 23218 OH2 TIP3 7967 -0.975 -0.477 -0.790 1.00 0.00 WT1 O ATOM 23219 H1 TIP3 7967 12.306 28.498 6.012 1.00 0.00 WT1 H ATOM 23220 H2 TIP3 7967 -12.035 -0.571 -22.335 1.00 0.00 WT1 H ATOM 23221 OH2 TIP3 7968 3.508 2.152 7.491 1.00 0.00 WT1 O ATOM 23222 H1 TIP3 7968 2.379 3.696 7.034 1.00 0.00 WT1 H ATOM 23223 H2 TIP3 7968 3.633 3.623 4.784 1.00 0.00 WT1 H ATOM 23224 OH2 TIP3 7969 8.150 0.031 -5.393 1.00 0.00 WT1 O ATOM 23225 H1 TIP3 7969 11.559 1.853 -7.831 1.00 0.00 WT1 H ATOM 23226 H2 TIP3 7969 -13.304 9.353 -2.679 1.00 0.00 WT1 H ATOM 23227 OH2 TIP3 7970 -4.270 -2.135 1.726 1.00 0.00 WT1 O ATOM 23228 H1 TIP3 7970 -23.234 15.615 17.997 1.00 0.00 WT1 H ATOM 23229 H2 TIP3 7970 -0.180 13.431 5.327 1.00 0.00 WT1 H ATOM 23230 OH2 TIP3 7971 0.328 -2.139 1.642 1.00 0.00 WT1 O ATOM 23231 H1 TIP3 7971 14.966 -8.336 7.784 1.00 0.00 WT1 H ATOM 23232 H2 TIP3 7971 -11.976 -13.057 4.855 1.00 0.00 WT1 H ATOM 23233 OH2 TIP3 7972 -3.408 -2.363 -0.390 1.00 0.00 WT1 O ATOM 23234 H1 TIP3 7972 -7.554 5.320 9.496 1.00 0.00 WT1 H ATOM 23235 H2 TIP3 7972 -1.302 -10.894 -6.209 1.00 0.00 WT1 H ATOM 23236 OH2 TIP3 7973 4.500 -4.724 3.397 1.00 0.00 WT1 O ATOM 23237 H1 TIP3 7973 -13.466 -1.063 -24.065 1.00 0.00 WT1 H ATOM 23238 H2 TIP3 7973 -1.315 26.662 9.380 1.00 0.00 WT1 H ATOM 23239 OH2 TIP3 7974 2.627 -2.240 -0.882 1.00 0.00 WT1 O ATOM 23240 H1 TIP3 7974 -3.688 -3.619 -3.278 1.00 0.00 WT1 H ATOM 23241 H2 TIP3 7974 -5.067 -8.737 -8.866 1.00 0.00 WT1 H ATOM 23242 OH2 TIP3 7975 -8.900 3.649 -3.891 1.00 0.00 WT1 O ATOM 23243 H1 TIP3 7975 -12.925 5.207 -8.819 1.00 0.00 WT1 H ATOM 23244 H2 TIP3 7975 -8.552 4.814 0.765 1.00 0.00 WT1 H ATOM 23245 OH2 TIP3 7976 4.527 -3.185 3.558 1.00 0.00 WT1 O ATOM 23246 H1 TIP3 7976 -5.979 8.360 1.928 1.00 0.00 WT1 H ATOM 23247 H2 TIP3 7976 -0.384 -10.451 12.886 1.00 0.00 WT1 H ATOM 23248 OH2 TIP3 7977 -0.142 -3.316 2.532 1.00 0.00 WT1 O ATOM 23249 H1 TIP3 7977 2.567 -9.679 4.378 1.00 0.00 WT1 H ATOM 23250 H2 TIP3 7977 0.447 -5.250 3.026 1.00 0.00 WT1 H ATOM 23251 OH2 TIP3 7978 0.370 -1.545 1.431 1.00 0.00 WT1 O ATOM 23252 H1 TIP3 7978 11.900 -2.684 1.717 1.00 0.00 WT1 H ATOM 23253 H2 TIP3 7978 -0.730 -1.008 9.938 1.00 0.00 WT1 H ATOM 23254 OH2 TIP3 7979 -2.676 6.401 -0.849 1.00 0.00 WT1 O ATOM 23255 H1 TIP3 7979 18.331 -2.734 -25.437 1.00 0.00 WT1 H ATOM 23256 H2 TIP3 7979 -11.685 25.060 1.025 1.00 0.00 WT1 H ATOM 23257 OH2 TIP3 7980 5.163 1.771 0.958 1.00 0.00 WT1 O ATOM 23258 H1 TIP3 7980 -5.396 -7.245 5.413 1.00 0.00 WT1 H ATOM 23259 H2 TIP3 7980 4.207 0.871 -13.859 1.00 0.00 WT1 H ATOM 23260 OH2 TIP3 7981 -2.601 2.108 5.895 1.00 0.00 WT1 O ATOM 23261 H1 TIP3 7981 -13.964 6.866 5.740 1.00 0.00 WT1 H ATOM 23262 H2 TIP3 7981 17.310 7.180 8.738 1.00 0.00 WT1 H ATOM 23263 OH2 TIP3 7982 0.992 2.389 0.737 1.00 0.00 WT1 O ATOM 23264 H1 TIP3 7982 2.238 5.032 7.952 1.00 0.00 WT1 H ATOM 23265 H2 TIP3 7982 3.529 2.063 8.582 1.00 0.00 WT1 H ATOM 23266 OH2 TIP3 7983 1.298 -4.292 -7.767 1.00 0.00 WT1 O ATOM 23267 H1 TIP3 7983 12.011 -6.818 -21.424 1.00 0.00 WT1 H ATOM 23268 H2 TIP3 7983 -1.375 -5.968 0.101 1.00 0.00 WT1 H ATOM 23269 OH2 TIP3 7984 -3.881 -0.316 4.546 1.00 0.00 WT1 O ATOM 23270 H1 TIP3 7984 19.765 -4.799 17.028 1.00 0.00 WT1 H ATOM 23271 H2 TIP3 7984 -30.391 -6.261 6.538 1.00 0.00 WT1 H ATOM 23272 OH2 TIP3 7985 -4.854 3.923 -2.932 1.00 0.00 WT1 O ATOM 23273 H1 TIP3 7985 -6.489 -0.241 3.777 1.00 0.00 WT1 H ATOM 23274 H2 TIP3 7985 -18.012 3.488 -7.593 1.00 0.00 WT1 H ATOM 23275 OH2 TIP3 7986 -6.179 -4.548 1.070 1.00 0.00 WT1 O ATOM 23276 H1 TIP3 7986 -15.899 -4.229 2.961 1.00 0.00 WT1 H ATOM 23277 H2 TIP3 7986 -4.547 -12.714 4.108 1.00 0.00 WT1 H ATOM 23278 OH2 TIP3 7987 1.476 -1.533 5.652 1.00 0.00 WT1 O ATOM 23279 H1 TIP3 7987 -26.226 -1.203 -27.255 1.00 0.00 WT1 H ATOM 23280 H2 TIP3 7987 -1.641 8.246 1.191 1.00 0.00 WT1 H ATOM 23281 OH2 TIP3 7988 3.797 -0.983 0.399 1.00 0.00 WT1 O ATOM 23282 H1 TIP3 7988 0.196 10.350 2.769 1.00 0.00 WT1 H ATOM 23283 H2 TIP3 7988 12.180 2.778 -7.834 1.00 0.00 WT1 H ATOM 23284 OH2 TIP3 7989 -3.558 5.637 -4.221 1.00 0.00 WT1 O ATOM 23285 H1 TIP3 7989 2.997 6.288 8.571 1.00 0.00 WT1 H ATOM 23286 H2 TIP3 7989 8.327 6.632 33.675 1.00 0.00 WT1 H ATOM 23287 OH2 TIP3 7990 1.425 -7.265 8.103 1.00 0.00 WT1 O ATOM 23288 H1 TIP3 7990 -0.728 -9.305 9.737 1.00 0.00 WT1 H ATOM 23289 H2 TIP3 7990 0.991 -7.481 6.190 1.00 0.00 WT1 H ATOM 23290 OH2 TIP3 7991 -4.014 -1.108 -0.575 1.00 0.00 WT1 O ATOM 23291 H1 TIP3 7991 12.531 14.789 -17.952 1.00 0.00 WT1 H ATOM 23292 H2 TIP3 7991 -17.310 -19.225 14.313 1.00 0.00 WT1 H ATOM 23293 OH2 TIP3 7992 -0.125 -2.745 -5.335 1.00 0.00 WT1 O ATOM 23294 H1 TIP3 7992 0.754 1.856 -9.966 1.00 0.00 WT1 H ATOM 23295 H2 TIP3 7992 -4.799 -3.634 -6.388 1.00 0.00 WT1 H ATOM 23296 OH2 TIP3 7993 -1.291 1.741 5.406 1.00 0.00 WT1 O ATOM 23297 H1 TIP3 7993 1.394 -0.842 2.760 1.00 0.00 WT1 H ATOM 23298 H2 TIP3 7993 -11.175 24.607 10.692 1.00 0.00 WT1 H ATOM 23299 OH2 TIP3 7994 6.018 5.103 -3.471 1.00 0.00 WT1 O ATOM 23300 H1 TIP3 7994 10.210 -3.233 -11.322 1.00 0.00 WT1 H ATOM 23301 H2 TIP3 7994 2.006 4.996 -6.469 1.00 0.00 WT1 H ATOM 23302 OH2 TIP3 7995 5.550 -2.731 -2.718 1.00 0.00 WT1 O ATOM 23303 H1 TIP3 7995 4.901 10.461 -3.387 1.00 0.00 WT1 H ATOM 23304 H2 TIP3 7995 3.059 1.613 -2.801 1.00 0.00 WT1 H ATOM 23305 OH2 TIP3 7996 -2.886 -1.821 -3.866 1.00 0.00 WT1 O ATOM 23306 H1 TIP3 7996 -9.048 -11.877 -7.961 1.00 0.00 WT1 H ATOM 23307 H2 TIP3 7996 -0.230 3.010 -2.858 1.00 0.00 WT1 H ATOM 23308 OH2 TIP3 7997 -1.862 3.282 1.214 1.00 0.00 WT1 O ATOM 23309 H1 TIP3 7997 -12.908 13.653 -8.250 1.00 0.00 WT1 H ATOM 23310 H2 TIP3 7997 4.662 0.511 -13.006 1.00 0.00 WT1 H ATOM 23311 OH2 TIP3 7999 0.591 0.865 -0.439 1.00 0.00 WT1 O ATOM 23312 H1 TIP3 7999 4.122 -6.518 -25.781 1.00 0.00 WT1 H ATOM 23313 H2 TIP3 7999 -14.283 -16.488 -1.674 1.00 0.00 WT1 H ATOM 23314 OH2 TIP3 8000 -0.500 4.343 -0.113 1.00 0.00 WT1 O ATOM 23315 H1 TIP3 8000 -8.681 3.994 -10.658 1.00 0.00 WT1 H ATOM 23316 H2 TIP3 8000 -13.309 -0.620 -1.628 1.00 0.00 WT1 H ATOM 23317 OH2 TIP3 8001 2.558 -6.805 -4.987 1.00 0.00 WT1 O ATOM 23318 H1 TIP3 8001 15.725 -5.619 4.499 1.00 0.00 WT1 H ATOM 23319 H2 TIP3 8001 5.261 1.017 5.544 1.00 0.00 WT1 H ATOM 23320 OH2 TIP3 8002 6.202 2.402 -6.041 1.00 0.00 WT1 O ATOM 23321 H1 TIP3 8002 -6.906 14.454 -16.940 1.00 0.00 WT1 H ATOM 23322 H2 TIP3 8002 9.195 2.433 13.835 1.00 0.00 WT1 H ATOM 23323 OH2 TIP3 8003 0.057 3.479 0.575 1.00 0.00 WT1 O ATOM 23324 H1 TIP3 8003 2.604 3.782 8.019 1.00 0.00 WT1 H ATOM 23325 H2 TIP3 8003 -3.166 6.881 -17.276 1.00 0.00 WT1 H ATOM 23326 OH2 TIP3 8004 -4.098 8.060 1.116 1.00 0.00 WT1 O ATOM 23327 H1 TIP3 8004 -7.709 7.001 14.573 1.00 0.00 WT1 H ATOM 23328 H2 TIP3 8004 -5.066 4.816 -32.354 1.00 0.00 WT1 H ATOM 23329 OH2 TIP3 8005 2.075 -5.366 -0.693 1.00 0.00 WT1 O ATOM 23330 H1 TIP3 8005 2.447 -5.362 -0.427 1.00 0.00 WT1 H ATOM 23331 H2 TIP3 8005 2.693 -5.534 -0.839 1.00 0.00 WT1 H ATOM 23332 OH2 TIP3 8006 3.951 -1.365 -0.327 1.00 0.00 WT1 O ATOM 23333 H1 TIP3 8006 4.398 -2.049 -3.377 1.00 0.00 WT1 H ATOM 23334 H2 TIP3 8006 -1.717 2.988 15.391 1.00 0.00 WT1 H ATOM 23335 OH2 TIP3 8007 -1.438 0.098 -8.034 1.00 0.00 WT1 O ATOM 23336 H1 TIP3 8007 5.831 0.542 -24.573 1.00 0.00 WT1 H ATOM 23337 H2 TIP3 8007 -1.317 -0.321 -7.125 1.00 0.00 WT1 H ATOM 23338 OH2 TIP3 8008 4.395 3.248 -0.321 1.00 0.00 WT1 O ATOM 23339 H1 TIP3 8008 1.261 -19.247 4.226 1.00 0.00 WT1 H ATOM 23340 H2 TIP3 8008 15.917 -5.309 -5.276 1.00 0.00 WT1 H ATOM 23341 OH2 TIP3 8010 -1.344 -1.630 -1.487 1.00 0.00 WT1 O ATOM 23342 H1 TIP3 8010 -13.714 -1.262 -4.781 1.00 0.00 WT1 H ATOM 23343 H2 TIP3 8010 38.047 -3.052 8.536 1.00 0.00 WT1 H ATOM 23344 OH2 TIP3 8011 3.496 -6.440 4.182 1.00 0.00 WT1 O ATOM 23345 H1 TIP3 8011 -1.101 -16.489 -1.670 1.00 0.00 WT1 H ATOM 23346 H2 TIP3 8011 -12.115 2.879 11.411 1.00 0.00 WT1 H ATOM 23347 OH2 TIP3 8012 -7.028 -2.266 4.563 1.00 0.00 WT1 O ATOM 23348 H1 TIP3 8012 -5.982 -6.176 -7.008 1.00 0.00 WT1 H ATOM 23349 H2 TIP3 8012 -8.897 3.939 9.550 1.00 0.00 WT1 H ATOM 23350 OH2 TIP3 8013 -4.785 -1.666 -0.100 1.00 0.00 WT1 O ATOM 23351 H1 TIP3 8013 -4.934 11.938 12.499 1.00 0.00 WT1 H ATOM 23352 H2 TIP3 8013 -16.602 1.689 7.947 1.00 0.00 WT1 H ATOM 23353 OH2 TIP3 8014 -2.361 3.528 1.218 1.00 0.00 WT1 O ATOM 23354 H1 TIP3 8014 -6.422 6.769 -5.001 1.00 0.00 WT1 H ATOM 23355 H2 TIP3 8014 13.676 4.716 5.409 1.00 0.00 WT1 H ATOM 23356 OH2 TIP3 8015 4.068 2.624 -0.455 1.00 0.00 WT1 O ATOM 23357 H1 TIP3 8015 -7.979 -44.157 -5.745 1.00 0.00 WT1 H ATOM 23358 H2 TIP3 8015 -0.443 -19.481 -4.631 1.00 0.00 WT1 H ATOM 23359 OH2 TIP3 8016 -8.090 3.829 8.438 1.00 0.00 WT1 O ATOM 23360 H1 TIP3 8016 -26.411 3.171 10.730 1.00 0.00 WT1 H ATOM 23361 H2 TIP3 8016 2.816 0.148 5.849 1.00 0.00 WT1 H ATOM 23362 OH2 TIP3 8017 2.180 -0.432 1.749 1.00 0.00 WT1 O ATOM 23363 H1 TIP3 8017 -12.923 -10.658 4.767 1.00 0.00 WT1 H ATOM 23364 H2 TIP3 8017 6.610 4.990 1.887 1.00 0.00 WT1 H ATOM 23365 OH2 TIP3 8018 1.631 -2.759 -1.273 1.00 0.00 WT1 O ATOM 23366 H1 TIP3 8018 -6.449 -2.185 -13.880 1.00 0.00 WT1 H ATOM 23367 H2 TIP3 8018 -2.123 -30.391 11.498 1.00 0.00 WT1 H ATOM 23368 OH2 TIP3 8019 -0.273 0.622 9.851 1.00 0.00 WT1 O ATOM 23369 H1 TIP3 8019 -17.845 -3.085 13.049 1.00 0.00 WT1 H ATOM 23370 H2 TIP3 8019 -17.889 -36.193 12.358 1.00 0.00 WT1 H ATOM 23371 OH2 TIP3 8020 1.211 -5.923 6.551 1.00 0.00 WT1 O ATOM 23372 H1 TIP3 8020 -0.163 11.995 -11.608 1.00 0.00 WT1 H ATOM 23373 H2 TIP3 8020 2.487 -2.205 10.854 1.00 0.00 WT1 H ATOM 23374 OH2 TIP3 8021 1.902 2.262 1.647 1.00 0.00 WT1 O ATOM 23375 H1 TIP3 8021 5.499 5.309 -0.899 1.00 0.00 WT1 H ATOM 23376 H2 TIP3 8021 -13.344 -27.661 -4.121 1.00 0.00 WT1 H ATOM 23377 OH2 TIP3 8022 4.198 -2.396 2.264 1.00 0.00 WT1 O ATOM 23378 H1 TIP3 8022 3.778 -16.840 9.537 1.00 0.00 WT1 H ATOM 23379 H2 TIP3 8022 8.328 21.716 -3.918 1.00 0.00 WT1 H ATOM 23380 OH2 TIP3 8023 -1.182 -3.634 -0.152 1.00 0.00 WT1 O ATOM 23381 H1 TIP3 8023 6.057 -13.289 -3.093 1.00 0.00 WT1 H ATOM 23382 H2 TIP3 8023 -3.763 0.490 -0.869 1.00 0.00 WT1 H ATOM 23383 OH2 TIP3 8024 -4.806 3.890 0.791 1.00 0.00 WT1 O ATOM 23384 H1 TIP3 8024 -6.519 6.989 3.927 1.00 0.00 WT1 H ATOM 23385 H2 TIP3 8024 -6.866 6.456 0.186 1.00 0.00 WT1 H ATOM 23386 OH2 TIP3 8025 3.936 -1.099 3.930 1.00 0.00 WT1 O ATOM 23387 H1 TIP3 8025 -3.428 0.139 -14.846 1.00 0.00 WT1 H ATOM 23388 H2 TIP3 8025 3.641 -9.594 11.239 1.00 0.00 WT1 H ATOM 23389 OH2 TIP3 8026 -1.151 3.241 -0.735 1.00 0.00 WT1 O ATOM 23390 H1 TIP3 8026 7.689 7.270 27.307 1.00 0.00 WT1 H ATOM 23391 H2 TIP3 8026 3.047 11.277 18.150 1.00 0.00 WT1 H ATOM 23392 OH2 TIP3 8027 0.117 -2.848 -5.218 1.00 0.00 WT1 O ATOM 23393 H1 TIP3 8027 -19.143 14.725 16.217 1.00 0.00 WT1 H ATOM 23394 H2 TIP3 8027 -7.737 23.235 17.955 1.00 0.00 WT1 H ATOM 23395 OH2 TIP3 8028 -2.016 2.038 -1.400 1.00 0.00 WT1 O ATOM 23396 H1 TIP3 8028 22.869 28.154 4.063 1.00 0.00 WT1 H ATOM 23397 H2 TIP3 8028 -7.213 -9.158 23.338 1.00 0.00 WT1 H ATOM 23398 OH2 TIP3 8029 -0.685 0.222 -2.064 1.00 0.00 WT1 O ATOM 23399 H1 TIP3 8029 13.111 22.632 -5.892 1.00 0.00 WT1 H ATOM 23400 H2 TIP3 8029 -5.372 -5.836 -3.522 1.00 0.00 WT1 H ATOM 23401 OH2 TIP3 8030 5.083 -7.025 -3.854 1.00 0.00 WT1 O ATOM 23402 H1 TIP3 8030 8.891 -0.523 5.193 1.00 0.00 WT1 H ATOM 23403 H2 TIP3 8030 -0.271 -14.807 -13.330 1.00 0.00 WT1 H ATOM 23404 OH2 TIP3 8032 -0.683 0.315 -2.543 1.00 0.00 WT1 O ATOM 23405 H1 TIP3 8032 -7.427 10.738 -0.168 1.00 0.00 WT1 H ATOM 23406 H2 TIP3 8032 -15.339 -10.151 -5.806 1.00 0.00 WT1 H ATOM 23407 OH2 TIP3 8033 -3.166 -1.429 4.893 1.00 0.00 WT1 O ATOM 23408 H1 TIP3 8033 -3.396 4.614 0.714 1.00 0.00 WT1 H ATOM 23409 H2 TIP3 8033 -1.926 -14.545 14.236 1.00 0.00 WT1 H ATOM 23410 OH2 TIP3 8034 3.711 1.050 -4.558 1.00 0.00 WT1 O ATOM 23411 H1 TIP3 8034 -1.875 -5.597 -9.954 1.00 0.00 WT1 H ATOM 23412 H2 TIP3 8034 11.584 -2.408 -4.526 1.00 0.00 WT1 H ATOM 23413 OH2 TIP3 8035 4.017 -0.945 -3.149 1.00 0.00 WT1 O ATOM 23414 H1 TIP3 8035 -3.572 4.714 5.593 1.00 0.00 WT1 H ATOM 23415 H2 TIP3 8035 -5.621 13.351 -17.092 1.00 0.00 WT1 H ATOM 23416 OH2 TIP3 8036 3.581 2.241 1.975 1.00 0.00 WT1 O ATOM 23417 H1 TIP3 8036 5.071 2.716 -1.631 1.00 0.00 WT1 H ATOM 23418 H2 TIP3 8036 8.466 5.804 -8.439 1.00 0.00 WT1 H ATOM 23419 OH2 TIP3 8037 -0.670 1.285 -1.873 1.00 0.00 WT1 O ATOM 23420 H1 TIP3 8037 3.935 9.145 -15.506 1.00 0.00 WT1 H ATOM 23421 H2 TIP3 8037 3.623 5.421 -7.286 1.00 0.00 WT1 H ATOM 23422 OH2 TIP3 8038 0.230 5.181 1.237 1.00 0.00 WT1 O ATOM 23423 H1 TIP3 8038 0.062 13.972 -2.646 1.00 0.00 WT1 H ATOM 23424 H2 TIP3 8038 -3.748 3.196 11.436 1.00 0.00 WT1 H ATOM 23425 OH2 TIP3 8039 -3.710 -4.676 0.365 1.00 0.00 WT1 O ATOM 23426 H1 TIP3 8039 -7.412 12.639 -11.198 1.00 0.00 WT1 H ATOM 23427 H2 TIP3 8039 -20.160 -13.963 -6.939 1.00 0.00 WT1 H ATOM 23428 OH2 TIP3 8040 1.843 3.302 1.507 1.00 0.00 WT1 O ATOM 23429 H1 TIP3 8040 4.160 1.162 8.787 1.00 0.00 WT1 H ATOM 23430 H2 TIP3 8040 -9.260 7.737 -20.306 1.00 0.00 WT1 H ATOM 23431 OH2 TIP3 8041 1.532 -7.614 -1.091 1.00 0.00 WT1 O ATOM 23432 H1 TIP3 8041 26.062 9.097 10.703 1.00 0.00 WT1 H ATOM 23433 H2 TIP3 8041 -6.095 -1.666 20.744 1.00 0.00 WT1 H ATOM 23434 OH2 TIP3 8042 1.561 -4.346 1.948 1.00 0.00 WT1 O ATOM 23435 H1 TIP3 8042 -4.377 5.831 24.894 1.00 0.00 WT1 H ATOM 23436 H2 TIP3 8042 3.009 -8.534 -3.283 1.00 0.00 WT1 H ATOM 23437 OH2 TIP3 8043 0.610 -1.189 -3.768 1.00 0.00 WT1 O ATOM 23438 H1 TIP3 8043 -5.595 3.288 -22.395 1.00 0.00 WT1 H ATOM 23439 H2 TIP3 8043 -7.081 -1.761 11.836 1.00 0.00 WT1 H ATOM 23440 OH2 TIP3 8044 1.600 0.050 -2.293 1.00 0.00 WT1 O ATOM 23441 H1 TIP3 8044 -19.916 17.132 12.329 1.00 0.00 WT1 H ATOM 23442 H2 TIP3 8044 -10.691 9.906 9.971 1.00 0.00 WT1 H ATOM 23443 OH2 TIP3 8045 -1.738 -8.312 -0.507 1.00 0.00 WT1 O ATOM 23444 H1 TIP3 8045 -4.781 -8.325 -13.630 1.00 0.00 WT1 H ATOM 23445 H2 TIP3 8045 1.626 3.900 6.591 1.00 0.00 WT1 H ATOM 23446 OH2 TIP3 8046 -1.434 7.612 -2.334 1.00 0.00 WT1 O ATOM 23447 H1 TIP3 8046 -9.865 8.340 9.910 1.00 0.00 WT1 H ATOM 23448 H2 TIP3 8046 9.573 2.378 -0.553 1.00 0.00 WT1 H ATOM 23449 OH2 TIP3 8047 -1.717 -0.889 2.180 1.00 0.00 WT1 O ATOM 23450 H1 TIP3 8047 1.724 14.695 -12.207 1.00 0.00 WT1 H ATOM 23451 H2 TIP3 8047 -9.557 1.777 0.792 1.00 0.00 WT1 H ATOM 23452 OH2 TIP3 8049 -1.370 -1.663 3.204 1.00 0.00 WT1 O ATOM 23453 H1 TIP3 8049 0.875 -1.139 -0.868 1.00 0.00 WT1 H ATOM 23454 H2 TIP3 8049 -2.449 1.020 6.679 1.00 0.00 WT1 H ATOM 23455 OH2 TIP3 8050 4.992 -7.032 -7.069 1.00 0.00 WT1 O ATOM 23456 H1 TIP3 8050 -0.677 -10.098 -5.094 1.00 0.00 WT1 H ATOM 23457 H2 TIP3 8050 2.814 7.575 -2.579 1.00 0.00 WT1 H ATOM 23458 OH2 TIP3 8051 -0.436 -2.800 2.213 1.00 0.00 WT1 O ATOM 23459 H1 TIP3 8051 2.383 -8.349 14.271 1.00 0.00 WT1 H ATOM 23460 H2 TIP3 8051 -2.210 -1.429 -0.245 1.00 0.00 WT1 H ATOM 23461 OH2 TIP3 8052 0.321 5.214 2.378 1.00 0.00 WT1 O ATOM 23462 H1 TIP3 8052 -11.401 15.748 2.305 1.00 0.00 WT1 H ATOM 23463 H2 TIP3 8052 7.145 10.119 -17.288 1.00 0.00 WT1 H ATOM 23464 OH2 TIP3 8053 5.675 -1.330 1.126 1.00 0.00 WT1 O ATOM 23465 H1 TIP3 8053 13.178 0.281 -9.174 1.00 0.00 WT1 H ATOM 23466 H2 TIP3 8053 -5.344 8.758 0.266 1.00 0.00 WT1 H ATOM 23467 OH2 TIP3 8054 1.404 3.177 5.784 1.00 0.00 WT1 O ATOM 23468 H1 TIP3 8054 -1.327 12.063 14.407 1.00 0.00 WT1 H ATOM 23469 H2 TIP3 8054 9.107 -0.307 7.669 1.00 0.00 WT1 H ATOM 23470 OH2 TIP3 8055 -1.879 -3.728 -0.268 1.00 0.00 WT1 O ATOM 23471 H1 TIP3 8055 -5.410 2.017 -10.154 1.00 0.00 WT1 H ATOM 23472 H2 TIP3 8055 -11.542 -5.771 21.783 1.00 0.00 WT1 H ATOM 23473 OH2 TIP3 8056 -0.848 -5.843 -11.049 1.00 0.00 WT1 O ATOM 23474 H1 TIP3 8056 -2.311 25.808 0.711 1.00 0.00 WT1 H ATOM 23475 H2 TIP3 8056 2.712 -1.618 -23.469 1.00 0.00 WT1 H ATOM 23476 OH2 TIP3 8057 1.363 -3.215 3.378 1.00 0.00 WT1 O ATOM 23477 H1 TIP3 8057 -8.603 4.929 3.152 1.00 0.00 WT1 H ATOM 23478 H2 TIP3 8057 10.956 -5.463 8.992 1.00 0.00 WT1 H ATOM 23479 OH2 TIP3 8058 1.803 7.049 0.089 1.00 0.00 WT1 O ATOM 23480 H1 TIP3 8058 17.477 3.462 4.466 1.00 0.00 WT1 H ATOM 23481 H2 TIP3 8058 21.093 10.165 15.557 1.00 0.00 WT1 H ATOM 23482 OH2 TIP3 8059 1.754 0.692 3.684 1.00 0.00 WT1 O ATOM 23483 H1 TIP3 8059 2.739 -0.593 4.040 1.00 0.00 WT1 H ATOM 23484 H2 TIP3 8059 -6.372 -20.175 -1.121 1.00 0.00 WT1 H ATOM 23485 OH2 TIP3 8060 -6.472 -3.740 5.016 1.00 0.00 WT1 O ATOM 23486 H1 TIP3 8060 -5.870 9.262 19.846 1.00 0.00 WT1 H ATOM 23487 H2 TIP3 8060 -1.620 -19.246 2.595 1.00 0.00 WT1 H ATOM 23488 OH2 TIP3 8061 -3.490 2.178 -2.623 1.00 0.00 WT1 O ATOM 23489 H1 TIP3 8061 10.711 11.819 -0.957 1.00 0.00 WT1 H ATOM 23490 H2 TIP3 8061 -2.416 -3.462 2.519 1.00 0.00 WT1 H ATOM 23491 OH2 TIP3 8062 -9.539 -1.303 -3.371 1.00 0.00 WT1 O ATOM 23492 H1 TIP3 8062 1.569 10.246 -38.324 1.00 0.00 WT1 H ATOM 23493 H2 TIP3 8062 -33.647 -9.193 2.470 1.00 0.00 WT1 H ATOM 23494 OH2 TIP3 8063 7.485 7.148 0.591 1.00 0.00 WT1 O ATOM 23495 H1 TIP3 8063 -17.403 1.727 -12.676 1.00 0.00 WT1 H ATOM 23496 H2 TIP3 8063 8.008 6.802 3.201 1.00 0.00 WT1 H ATOM 23497 OH2 TIP3 8064 -4.030 0.340 3.046 1.00 0.00 WT1 O ATOM 23498 H1 TIP3 8064 16.282 -16.008 -6.806 1.00 0.00 WT1 H ATOM 23499 H2 TIP3 8064 2.674 -3.578 2.344 1.00 0.00 WT1 H ATOM 23500 OH2 TIP3 8065 -5.378 -2.118 1.167 1.00 0.00 WT1 O ATOM 23501 H1 TIP3 8065 -17.589 -13.250 1.731 1.00 0.00 WT1 H ATOM 23502 H2 TIP3 8065 5.864 8.936 -2.212 1.00 0.00 WT1 H ATOM 23503 OH2 TIP3 8066 2.515 -3.679 -5.607 1.00 0.00 WT1 O ATOM 23504 H1 TIP3 8066 -7.653 25.771 15.630 1.00 0.00 WT1 H ATOM 23505 H2 TIP3 8066 15.167 -14.197 13.472 1.00 0.00 WT1 H ATOM 23506 OH2 TIP3 8067 -1.878 -3.300 0.229 1.00 0.00 WT1 O ATOM 23507 H1 TIP3 8067 17.079 -11.645 16.087 1.00 0.00 WT1 H ATOM 23508 H2 TIP3 8067 -12.408 0.279 -8.204 1.00 0.00 WT1 H ATOM 23509 OH2 TIP3 8068 0.331 -2.703 -6.841 1.00 0.00 WT1 O ATOM 23510 H1 TIP3 8068 14.594 -4.786 -2.129 1.00 0.00 WT1 H ATOM 23511 H2 TIP3 8068 -12.267 11.614 10.380 1.00 0.00 WT1 H ATOM 23512 OH2 TIP3 8069 2.256 -3.502 -1.723 1.00 0.00 WT1 O ATOM 23513 H1 TIP3 8069 -22.869 -5.574 -5.265 1.00 0.00 WT1 H ATOM 23514 H2 TIP3 8069 19.721 -12.749 -17.031 1.00 0.00 WT1 H ATOM 23515 OH2 TIP3 8070 5.306 -0.462 -3.056 1.00 0.00 WT1 O ATOM 23516 H1 TIP3 8070 12.136 2.783 -22.603 1.00 0.00 WT1 H ATOM 23517 H2 TIP3 8070 14.141 -8.085 1.644 1.00 0.00 WT1 H ATOM 23518 OH2 TIP3 8071 5.641 -2.546 -4.472 1.00 0.00 WT1 O ATOM 23519 H1 TIP3 8071 0.647 -3.271 -16.391 1.00 0.00 WT1 H ATOM 23520 H2 TIP3 8071 -2.822 4.065 1.755 1.00 0.00 WT1 H ATOM 23521 OH2 TIP3 8072 4.513 4.261 3.587 1.00 0.00 WT1 O ATOM 23522 H1 TIP3 8072 0.570 12.230 -11.358 1.00 0.00 WT1 H ATOM 23523 H2 TIP3 8072 16.237 9.006 5.010 1.00 0.00 WT1 H ATOM 23524 OH2 TIP3 8073 -4.401 -6.394 -0.258 1.00 0.00 WT1 O ATOM 23525 H1 TIP3 8073 -6.327 -14.270 11.467 1.00 0.00 WT1 H ATOM 23526 H2 TIP3 8073 -14.337 -4.077 -7.134 1.00 0.00 WT1 H ATOM 23527 OH2 TIP3 8074 -4.088 -0.474 -6.833 1.00 0.00 WT1 O ATOM 23528 H1 TIP3 8074 -24.613 -18.539 -16.022 1.00 0.00 WT1 H ATOM 23529 H2 TIP3 8074 -7.593 12.352 -13.236 1.00 0.00 WT1 H ATOM 23530 OH2 TIP3 8075 3.381 -7.755 -6.134 1.00 0.00 WT1 O ATOM 23531 H1 TIP3 8075 3.549 -0.201 -7.697 1.00 0.00 WT1 H ATOM 23532 H2 TIP3 8075 11.149 -8.868 -5.826 1.00 0.00 WT1 H ATOM 23533 OH2 TIP3 8076 -1.253 2.630 0.357 1.00 0.00 WT1 O ATOM 23534 H1 TIP3 8076 9.597 10.252 7.445 1.00 0.00 WT1 H ATOM 23535 H2 TIP3 8076 -2.989 -8.866 -6.202 1.00 0.00 WT1 H ATOM 23536 OH2 TIP3 8077 5.326 -0.129 8.752 1.00 0.00 WT1 O ATOM 23537 H1 TIP3 8077 16.474 -23.604 2.395 1.00 0.00 WT1 H ATOM 23538 H2 TIP3 8077 -11.345 14.455 -13.872 1.00 0.00 WT1 H ATOM 23539 OH2 TIP3 8078 -0.490 -0.308 0.308 1.00 0.00 WT1 O ATOM 23540 H1 TIP3 8078 -15.726 6.707 8.533 1.00 0.00 WT1 H ATOM 23541 H2 TIP3 8078 4.646 -4.391 0.966 1.00 0.00 WT1 H ATOM 23542 OH2 TIP3 8079 -5.101 -1.843 -6.092 1.00 0.00 WT1 O ATOM 23543 H1 TIP3 8079 7.498 -0.861 -5.130 1.00 0.00 WT1 H ATOM 23544 H2 TIP3 8079 -2.905 1.146 -6.004 1.00 0.00 WT1 H ATOM 23545 OH2 TIP3 8080 -6.227 -1.098 3.097 1.00 0.00 WT1 O ATOM 23546 H1 TIP3 8080 10.764 8.723 -3.774 1.00 0.00 WT1 H ATOM 23547 H2 TIP3 8080 -24.376 9.004 1.462 1.00 0.00 WT1 H ATOM 23548 OH2 TIP3 8081 1.003 -0.569 -4.897 1.00 0.00 WT1 O ATOM 23549 H1 TIP3 8081 1.164 -5.531 5.282 1.00 0.00 WT1 H ATOM 23550 H2 TIP3 8081 -9.176 -4.237 12.784 1.00 0.00 WT1 H ATOM 23551 OH2 TIP3 8082 -7.038 -0.339 3.499 1.00 0.00 WT1 O ATOM 23552 H1 TIP3 8082 -20.444 -1.058 0.786 1.00 0.00 WT1 H ATOM 23553 H2 TIP3 8082 -9.025 -9.006 -4.630 1.00 0.00 WT1 H ATOM 23554 OH2 TIP3 8083 -5.619 4.174 4.737 1.00 0.00 WT1 O ATOM 23555 H1 TIP3 8083 -7.619 -6.976 7.391 1.00 0.00 WT1 H ATOM 23556 H2 TIP3 8083 -16.434 16.609 7.824 1.00 0.00 WT1 H ATOM 23557 OH2 TIP3 8084 2.507 3.353 1.355 1.00 0.00 WT1 O ATOM 23558 H1 TIP3 8084 -18.684 3.178 -7.202 1.00 0.00 WT1 H ATOM 23559 H2 TIP3 8084 23.068 -1.121 11.007 1.00 0.00 WT1 H ATOM 23560 OH2 TIP3 8085 -1.898 0.798 0.113 1.00 0.00 WT1 O ATOM 23561 H1 TIP3 8085 -13.786 9.985 -2.785 1.00 0.00 WT1 H ATOM 23562 H2 TIP3 8085 3.245 6.952 -2.416 1.00 0.00 WT1 H ATOM 23563 OH2 TIP3 8086 -6.281 -2.020 -9.315 1.00 0.00 WT1 O ATOM 23564 H1 TIP3 8086 3.017 -1.794 -28.504 1.00 0.00 WT1 H ATOM 23565 H2 TIP3 8086 6.456 9.273 4.992 1.00 0.00 WT1 H ATOM 23566 OH2 TIP3 8087 -1.947 -0.408 -1.102 1.00 0.00 WT1 O ATOM 23567 H1 TIP3 8087 0.782 -14.858 23.696 1.00 0.00 WT1 H ATOM 23568 H2 TIP3 8087 17.203 14.821 -2.221 1.00 0.00 WT1 H ATOM 23569 OH2 TIP3 8088 -2.359 1.731 0.241 1.00 0.00 WT1 O ATOM 23570 H1 TIP3 8088 20.183 7.729 -7.004 1.00 0.00 WT1 H ATOM 23571 H2 TIP3 8088 -1.723 7.709 0.683 1.00 0.00 WT1 H ATOM 23572 OH2 TIP3 8089 -5.915 0.771 -0.080 1.00 0.00 WT1 O ATOM 23573 H1 TIP3 8089 -22.451 -11.981 -6.802 1.00 0.00 WT1 H ATOM 23574 H2 TIP3 8089 3.539 8.044 13.484 1.00 0.00 WT1 H ATOM 23575 OH2 TIP3 8090 -1.704 3.817 4.726 1.00 0.00 WT1 O ATOM 23576 H1 TIP3 8090 -2.279 2.691 -7.330 1.00 0.00 WT1 H ATOM 23577 H2 TIP3 8090 -10.097 -0.135 14.233 1.00 0.00 WT1 H ATOM 23578 OH2 TIP3 8091 -1.223 6.819 -2.825 1.00 0.00 WT1 O ATOM 23579 H1 TIP3 8091 -38.870 2.299 1.647 1.00 0.00 WT1 H ATOM 23580 H2 TIP3 8091 -22.780 5.580 -1.737 1.00 0.00 WT1 H ATOM 23581 OH2 TIP3 8092 -5.288 1.271 -2.565 1.00 0.00 WT1 O ATOM 23582 H1 TIP3 8092 -42.007 -5.440 -8.191 1.00 0.00 WT1 H ATOM 23583 H2 TIP3 8092 -18.221 -14.696 -12.063 1.00 0.00 WT1 H ATOM 23584 OH2 TIP3 8093 3.326 2.558 -4.591 1.00 0.00 WT1 O ATOM 23585 H1 TIP3 8093 -17.324 -3.647 7.900 1.00 0.00 WT1 H ATOM 23586 H2 TIP3 8093 -0.917 -5.472 -7.231 1.00 0.00 WT1 H ATOM 23587 OH2 TIP3 8094 6.881 1.496 -1.339 1.00 0.00 WT1 O ATOM 23588 H1 TIP3 8094 33.494 -22.676 10.308 1.00 0.00 WT1 H ATOM 23589 H2 TIP3 8094 7.180 18.905 -2.299 1.00 0.00 WT1 H ATOM 23590 OH2 TIP3 8095 -1.038 -0.209 6.073 1.00 0.00 WT1 O ATOM 23591 H1 TIP3 8095 -18.609 -12.254 -3.838 1.00 0.00 WT1 H ATOM 23592 H2 TIP3 8095 1.113 -7.701 29.133 1.00 0.00 WT1 H ATOM 23593 OH2 TIP3 8096 0.116 4.421 -0.668 1.00 0.00 WT1 O ATOM 23594 H1 TIP3 8096 19.470 22.332 -11.974 1.00 0.00 WT1 H ATOM 23595 H2 TIP3 8096 6.401 10.098 -3.217 1.00 0.00 WT1 H ATOM 23596 OH2 TIP3 8097 0.883 -4.246 1.038 1.00 0.00 WT1 O ATOM 23597 H1 TIP3 8097 -14.096 -0.563 2.565 1.00 0.00 WT1 H ATOM 23598 H2 TIP3 8097 -3.980 -20.612 23.941 1.00 0.00 WT1 H ATOM 23599 OH2 TIP3 8098 -2.115 5.131 3.342 1.00 0.00 WT1 O ATOM 23600 H1 TIP3 8098 3.331 11.816 5.059 1.00 0.00 WT1 H ATOM 23601 H2 TIP3 8098 11.545 7.407 7.963 1.00 0.00 WT1 H ATOM 23602 OH2 TIP3 8099 -0.809 5.173 1.535 1.00 0.00 WT1 O ATOM 23603 H1 TIP3 8099 -7.048 11.898 19.832 1.00 0.00 WT1 H ATOM 23604 H2 TIP3 8099 1.823 -7.847 -12.609 1.00 0.00 WT1 H ATOM 23605 OH2 TIP3 8100 0.763 -0.079 0.254 1.00 0.00 WT1 O ATOM 23606 H1 TIP3 8100 -7.738 -2.045 -12.244 1.00 0.00 WT1 H ATOM 23607 H2 TIP3 8100 -9.056 6.104 -5.168 1.00 0.00 WT1 H ATOM 23608 OH2 TIP3 8101 -3.496 2.812 -2.266 1.00 0.00 WT1 O ATOM 23609 H1 TIP3 8101 18.010 7.683 -6.397 1.00 0.00 WT1 H ATOM 23610 H2 TIP3 8101 -5.827 9.830 -13.963 1.00 0.00 WT1 H ATOM 23611 OH2 TIP3 8102 3.711 -0.673 2.890 1.00 0.00 WT1 O ATOM 23612 H1 TIP3 8102 -12.531 18.991 4.673 1.00 0.00 WT1 H ATOM 23613 H2 TIP3 8102 -21.613 9.149 24.829 1.00 0.00 WT1 H ATOM 23614 OH2 TIP3 8103 4.983 0.691 -7.026 1.00 0.00 WT1 O ATOM 23615 H1 TIP3 8103 -16.667 19.873 30.461 1.00 0.00 WT1 H ATOM 23616 H2 TIP3 8103 -10.425 -1.405 -2.015 1.00 0.00 WT1 H ATOM 23617 OH2 TIP3 8104 -12.042 4.861 -0.590 1.00 0.00 WT1 O ATOM 23618 H1 TIP3 8104 -19.926 2.013 3.649 1.00 0.00 WT1 H ATOM 23619 H2 TIP3 8104 0.148 18.435 1.404 1.00 0.00 WT1 H ATOM 23620 OH2 TIP3 8105 -2.398 -0.221 5.999 1.00 0.00 WT1 O ATOM 23621 H1 TIP3 8105 -13.166 20.659 0.901 1.00 0.00 WT1 H ATOM 23622 H2 TIP3 8105 -4.314 3.006 5.145 1.00 0.00 WT1 H ATOM 23623 OH2 TIP3 8106 0.810 4.092 -2.191 1.00 0.00 WT1 O ATOM 23624 H1 TIP3 8106 11.213 14.832 11.728 1.00 0.00 WT1 H ATOM 23625 H2 TIP3 8106 -8.298 -3.090 -1.761 1.00 0.00 WT1 H ATOM 23626 OH2 TIP3 8107 -2.780 7.285 -4.490 1.00 0.00 WT1 O ATOM 23627 H1 TIP3 8107 2.960 21.434 15.903 1.00 0.00 WT1 H ATOM 23628 H2 TIP3 8107 -0.852 19.035 7.096 1.00 0.00 WT1 H ATOM 23629 OH2 TIP3 8108 0.976 -1.705 -3.559 1.00 0.00 WT1 O ATOM 23630 H1 TIP3 8108 15.416 -17.949 -3.317 1.00 0.00 WT1 H ATOM 23631 H2 TIP3 8108 -13.630 -6.730 10.685 1.00 0.00 WT1 H ATOM 23632 OH2 TIP3 8109 2.983 13.230 -1.439 1.00 0.00 WT1 O ATOM 23633 H1 TIP3 8109 23.333 6.374 2.782 1.00 0.00 WT1 H ATOM 23634 H2 TIP3 8109 -0.029 24.773 -5.470 1.00 0.00 WT1 H ATOM 23635 OH2 TIP3 8110 6.043 1.718 4.682 1.00 0.00 WT1 O ATOM 23636 H1 TIP3 8110 3.850 8.175 -0.177 1.00 0.00 WT1 H ATOM 23637 H2 TIP3 8110 5.692 10.266 19.534 1.00 0.00 WT1 H ATOM 23638 OH2 TIP3 8111 0.866 3.407 4.240 1.00 0.00 WT1 O ATOM 23639 H1 TIP3 8111 -3.729 9.011 -20.325 1.00 0.00 WT1 H ATOM 23640 H2 TIP3 8111 9.662 2.900 16.400 1.00 0.00 WT1 H ATOM 23641 OH2 TIP3 8112 -0.095 3.764 4.901 1.00 0.00 WT1 O ATOM 23642 H1 TIP3 8112 -4.215 -2.250 -9.977 1.00 0.00 WT1 H ATOM 23643 H2 TIP3 8112 -5.450 2.022 2.127 1.00 0.00 WT1 H ATOM 23644 OH2 TIP3 8113 -4.134 4.360 -0.476 1.00 0.00 WT1 O ATOM 23645 H1 TIP3 8113 -0.657 3.032 -2.201 1.00 0.00 WT1 H ATOM 23646 H2 TIP3 8113 -5.421 3.149 14.507 1.00 0.00 WT1 H ATOM 23647 OH2 TIP3 8114 -0.020 -4.480 -4.156 1.00 0.00 WT1 O ATOM 23648 H1 TIP3 8114 -14.080 6.789 5.916 1.00 0.00 WT1 H ATOM 23649 H2 TIP3 8114 0.811 1.071 6.628 1.00 0.00 WT1 H ATOM 23650 OH2 TIP3 8116 0.421 -8.331 2.902 1.00 0.00 WT1 O ATOM 23651 H1 TIP3 8116 -0.186 -11.080 4.023 1.00 0.00 WT1 H ATOM 23652 H2 TIP3 8116 -0.610 -9.164 1.321 1.00 0.00 WT1 H ATOM 23653 OH2 TIP3 8117 1.255 0.011 -2.217 1.00 0.00 WT1 O ATOM 23654 H1 TIP3 8117 10.048 6.717 -4.063 1.00 0.00 WT1 H ATOM 23655 H2 TIP3 8117 7.762 0.309 -2.250 1.00 0.00 WT1 H ATOM 23656 OH2 TIP3 8118 -1.057 2.174 1.126 1.00 0.00 WT1 O ATOM 23657 H1 TIP3 8118 22.169 8.179 -5.030 1.00 0.00 WT1 H ATOM 23658 H2 TIP3 8118 -9.832 -2.760 -6.050 1.00 0.00 WT1 H ATOM 23659 OH2 TIP3 8119 3.604 1.555 0.698 1.00 0.00 WT1 O ATOM 23660 H1 TIP3 8119 8.106 -6.573 -12.963 1.00 0.00 WT1 H ATOM 23661 H2 TIP3 8119 -4.541 9.688 -6.212 1.00 0.00 WT1 H ATOM 23662 OH2 TIP3 8120 -0.943 -7.370 -4.149 1.00 0.00 WT1 O ATOM 23663 H1 TIP3 8120 35.306 -5.673 -23.638 1.00 0.00 WT1 H ATOM 23664 H2 TIP3 8120 -13.515 -8.376 2.183 1.00 0.00 WT1 H ATOM 23665 OH2 TIP3 8121 -3.828 4.488 -1.908 1.00 0.00 WT1 O ATOM 23666 H1 TIP3 8121 13.192 8.018 -1.137 1.00 0.00 WT1 H ATOM 23667 H2 TIP3 8121 -5.571 6.958 -4.744 1.00 0.00 WT1 H ATOM 23668 OH2 TIP3 8122 -2.542 -4.357 1.406 1.00 0.00 WT1 O ATOM 23669 H1 TIP3 8122 -9.946 6.025 1.109 1.00 0.00 WT1 H ATOM 23670 H2 TIP3 8122 1.265 -16.923 3.417 1.00 0.00 WT1 H ATOM 23671 OH2 TIP3 8123 2.328 1.847 -0.895 1.00 0.00 WT1 O ATOM 23672 H1 TIP3 8123 -7.205 -7.592 -6.833 1.00 0.00 WT1 H ATOM 23673 H2 TIP3 8123 -0.063 13.647 -11.662 1.00 0.00 WT1 H ATOM 23674 OH2 TIP3 8124 3.580 -2.832 -3.583 1.00 0.00 WT1 O ATOM 23675 H1 TIP3 8124 -4.498 13.393 8.438 1.00 0.00 WT1 H ATOM 23676 H2 TIP3 8124 -8.109 -9.954 -19.123 1.00 0.00 WT1 H ATOM 23677 OH2 TIP3 8125 1.570 2.116 -0.925 1.00 0.00 WT1 O ATOM 23678 H1 TIP3 8125 13.029 35.250 -2.630 1.00 0.00 WT1 H ATOM 23679 H2 TIP3 8125 -21.421 7.582 -7.849 1.00 0.00 WT1 H ATOM 23680 OH2 TIP3 8126 -3.348 -3.035 0.178 1.00 0.00 WT1 O ATOM 23681 H1 TIP3 8126 3.799 -3.794 -8.694 1.00 0.00 WT1 H ATOM 23682 H2 TIP3 8126 -2.430 -2.850 -0.638 1.00 0.00 WT1 H ATOM 23683 OH2 TIP3 8127 0.361 -0.512 2.362 1.00 0.00 WT1 O ATOM 23684 H1 TIP3 8127 -6.856 1.730 23.002 1.00 0.00 WT1 H ATOM 23685 H2 TIP3 8127 5.723 -3.020 -12.849 1.00 0.00 WT1 H ATOM 23686 OH2 TIP3 8128 -1.447 -1.349 3.829 1.00 0.00 WT1 O ATOM 23687 H1 TIP3 8128 -18.716 -11.788 -5.173 1.00 0.00 WT1 H ATOM 23688 H2 TIP3 8128 1.168 10.578 6.134 1.00 0.00 WT1 H ATOM 23689 OH2 TIP3 8129 -1.486 -4.122 4.869 1.00 0.00 WT1 O ATOM 23690 H1 TIP3 8129 -13.147 -23.678 2.859 1.00 0.00 WT1 H ATOM 23691 H2 TIP3 8129 11.787 -10.261 -16.017 1.00 0.00 WT1 H ATOM 23692 OH2 TIP3 8130 0.248 -4.613 -0.507 1.00 0.00 WT1 O ATOM 23693 H1 TIP3 8130 8.369 -7.124 -1.574 1.00 0.00 WT1 H ATOM 23694 H2 TIP3 8130 -3.476 -2.843 1.442 1.00 0.00 WT1 H ATOM 23695 OH2 TIP3 8131 -2.323 -7.676 3.036 1.00 0.00 WT1 O ATOM 23696 H1 TIP3 8131 5.161 -3.167 1.722 1.00 0.00 WT1 H ATOM 23697 H2 TIP3 8131 -6.092 -6.136 6.918 1.00 0.00 WT1 H ATOM 23698 OH2 TIP3 8132 -1.674 -3.487 -0.365 1.00 0.00 WT1 O ATOM 23699 H1 TIP3 8132 0.202 5.091 -7.947 1.00 0.00 WT1 H ATOM 23700 H2 TIP3 8132 -3.314 -9.689 4.885 1.00 0.00 WT1 H ATOM 23701 OH2 TIP3 8133 1.202 2.925 -1.265 1.00 0.00 WT1 O ATOM 23702 H1 TIP3 8133 1.693 -7.442 -10.775 1.00 0.00 WT1 H ATOM 23703 H2 TIP3 8133 -2.343 -6.968 2.134 1.00 0.00 WT1 H ATOM 23704 OH2 TIP3 8134 6.041 -5.438 2.229 1.00 0.00 WT1 O ATOM 23705 H1 TIP3 8134 5.359 7.675 -7.664 1.00 0.00 WT1 H ATOM 23706 H2 TIP3 8134 10.552 0.529 0.968 1.00 0.00 WT1 H ATOM 23707 OH2 TIP3 8135 -0.815 3.633 -2.077 1.00 0.00 WT1 O ATOM 23708 H1 TIP3 8135 23.815 5.391 -3.516 1.00 0.00 WT1 H ATOM 23709 H2 TIP3 8135 2.206 -4.052 -3.408 1.00 0.00 WT1 H ATOM 23710 OH2 TIP3 8136 3.349 0.896 6.991 1.00 0.00 WT1 O ATOM 23711 H1 TIP3 8136 -2.400 -18.855 4.092 1.00 0.00 WT1 H ATOM 23712 H2 TIP3 8136 14.250 6.068 -11.924 1.00 0.00 WT1 H ATOM 23713 OH2 TIP3 8137 0.039 0.938 -3.861 1.00 0.00 WT1 O ATOM 23714 H1 TIP3 8137 5.796 3.568 11.419 1.00 0.00 WT1 H ATOM 23715 H2 TIP3 8137 10.629 -0.682 5.462 1.00 0.00 WT1 H ATOM 23716 OH2 TIP3 8138 5.693 -6.231 -6.281 1.00 0.00 WT1 O ATOM 23717 H1 TIP3 8138 0.820 -13.632 -6.060 1.00 0.00 WT1 H ATOM 23718 H2 TIP3 8138 0.803 2.935 -8.310 1.00 0.00 WT1 H ATOM 23719 OH2 TIP3 8139 -0.239 3.865 1.342 1.00 0.00 WT1 O ATOM 23720 H1 TIP3 8139 -13.282 3.687 -6.773 1.00 0.00 WT1 H ATOM 23721 H2 TIP3 8139 -4.446 19.315 15.015 1.00 0.00 WT1 H ATOM 23722 OH2 TIP3 8140 2.812 -0.188 6.238 1.00 0.00 WT1 O ATOM 23723 H1 TIP3 8140 0.484 0.648 9.995 1.00 0.00 WT1 H ATOM 23724 H2 TIP3 8140 5.270 4.690 2.168 1.00 0.00 WT1 H ATOM 23725 OH2 TIP3 8141 -0.071 1.232 0.380 1.00 0.00 WT1 O ATOM 23726 H1 TIP3 8141 11.266 0.421 3.273 1.00 0.00 WT1 H ATOM 23727 H2 TIP3 8141 12.872 -13.621 16.014 1.00 0.00 WT1 H ATOM 23728 OH2 TIP3 8142 0.351 3.240 7.241 1.00 0.00 WT1 O ATOM 23729 H1 TIP3 8142 2.810 4.069 13.491 1.00 0.00 WT1 H ATOM 23730 H2 TIP3 8142 -1.802 3.144 6.557 1.00 0.00 WT1 H ATOM 23731 OH2 TIP3 8143 3.044 2.883 0.492 1.00 0.00 WT1 O ATOM 23732 H1 TIP3 8143 12.439 -11.128 11.167 1.00 0.00 WT1 H ATOM 23733 H2 TIP3 8143 11.235 -11.137 7.210 1.00 0.00 WT1 H ATOM 23734 OH2 TIP3 8144 -5.341 -1.956 1.492 1.00 0.00 WT1 O ATOM 23735 H1 TIP3 8144 16.321 4.350 -9.664 1.00 0.00 WT1 H ATOM 23736 H2 TIP3 8144 14.182 8.674 -10.427 1.00 0.00 WT1 H ATOM 23737 OH2 TIP3 8145 -1.877 4.265 -4.893 1.00 0.00 WT1 O ATOM 23738 H1 TIP3 8145 7.929 2.865 -10.190 1.00 0.00 WT1 H ATOM 23739 H2 TIP3 8145 -8.214 -6.869 6.192 1.00 0.00 WT1 H ATOM 23740 OH2 TIP3 8146 -0.580 0.458 6.204 1.00 0.00 WT1 O ATOM 23741 H1 TIP3 8146 14.528 6.488 -5.428 1.00 0.00 WT1 H ATOM 23742 H2 TIP3 8146 -3.059 15.653 4.722 1.00 0.00 WT1 H ATOM 23743 OH2 TIP3 8147 -9.930 3.288 -1.642 1.00 0.00 WT1 O ATOM 23744 H1 TIP3 8147 -3.846 3.733 -7.102 1.00 0.00 WT1 H ATOM 23745 H2 TIP3 8147 -24.053 0.606 14.060 1.00 0.00 WT1 H ATOM 23746 OH2 TIP3 8148 6.779 -1.688 -3.519 1.00 0.00 WT1 O ATOM 23747 H1 TIP3 8148 -3.418 -7.783 4.366 1.00 0.00 WT1 H ATOM 23748 H2 TIP3 8148 -4.110 -7.894 4.076 1.00 0.00 WT1 H ATOM 23749 OH2 TIP3 8149 3.749 -3.488 -0.660 1.00 0.00 WT1 O ATOM 23750 H1 TIP3 8149 -8.519 -1.368 -16.355 1.00 0.00 WT1 H ATOM 23751 H2 TIP3 8149 -7.613 -6.941 6.996 1.00 0.00 WT1 H ATOM 23752 OH2 TIP3 8150 8.800 -0.663 0.530 1.00 0.00 WT1 O ATOM 23753 H1 TIP3 8150 1.014 -13.427 8.269 1.00 0.00 WT1 H ATOM 23754 H2 TIP3 8150 7.364 -2.304 -10.604 1.00 0.00 WT1 H ATOM 23755 OH2 TIP3 8151 -2.980 -6.597 5.592 1.00 0.00 WT1 O ATOM 23756 H1 TIP3 8151 9.297 5.691 -8.758 1.00 0.00 WT1 H ATOM 23757 H2 TIP3 8151 -2.134 15.569 11.086 1.00 0.00 WT1 H ATOM 23758 OH2 TIP3 8152 3.487 -1.499 -6.966 1.00 0.00 WT1 O ATOM 23759 H1 TIP3 8152 13.419 16.272 -8.227 1.00 0.00 WT1 H ATOM 23760 H2 TIP3 8152 4.356 -6.451 -8.052 1.00 0.00 WT1 H ATOM 23761 OH2 TIP3 8153 1.704 6.533 -2.914 1.00 0.00 WT1 O ATOM 23762 H1 TIP3 8153 19.824 30.461 -19.236 1.00 0.00 WT1 H ATOM 23763 H2 TIP3 8153 6.164 -19.032 3.620 1.00 0.00 WT1 H ATOM 23764 OH2 TIP3 8154 -1.095 -1.402 -0.905 1.00 0.00 WT1 O ATOM 23765 H1 TIP3 8154 -2.429 -7.299 6.469 1.00 0.00 WT1 H ATOM 23766 H2 TIP3 8154 14.793 9.867 -2.819 1.00 0.00 WT1 H ATOM 23767 OH2 TIP3 8155 3.899 3.938 2.259 1.00 0.00 WT1 O ATOM 23768 H1 TIP3 8155 -3.341 21.236 -4.941 1.00 0.00 WT1 H ATOM 23769 H2 TIP3 8155 -7.556 -1.599 20.847 1.00 0.00 WT1 H ATOM 23770 OH2 TIP3 8156 -2.242 0.029 -1.521 1.00 0.00 WT1 O ATOM 23771 H1 TIP3 8156 -7.585 -14.819 30.969 1.00 0.00 WT1 H ATOM 23772 H2 TIP3 8156 -3.494 3.190 2.346 1.00 0.00 WT1 H ATOM 23773 OH2 TIP3 8157 -1.376 -0.649 -4.250 1.00 0.00 WT1 O ATOM 23774 H1 TIP3 8157 17.363 -10.487 -13.813 1.00 0.00 WT1 H ATOM 23775 H2 TIP3 8157 -7.229 -5.623 2.257 1.00 0.00 WT1 H ATOM 23776 OH2 TIP3 8158 -2.901 -1.126 2.857 1.00 0.00 WT1 O ATOM 23777 H1 TIP3 8158 19.100 6.506 -21.318 1.00 0.00 WT1 H ATOM 23778 H2 TIP3 8158 -8.335 8.818 12.578 1.00 0.00 WT1 H ATOM 23779 OH2 TIP3 8159 -2.853 -0.645 1.701 1.00 0.00 WT1 O ATOM 23780 H1 TIP3 8159 6.520 -3.956 12.515 1.00 0.00 WT1 H ATOM 23781 H2 TIP3 8159 3.133 -1.086 4.466 1.00 0.00 WT1 H ATOM 23782 OH2 TIP3 8160 -2.516 0.364 -4.419 1.00 0.00 WT1 O ATOM 23783 H1 TIP3 8160 -5.076 -7.447 -7.799 1.00 0.00 WT1 H ATOM 23784 H2 TIP3 8160 4.653 -2.756 -3.285 1.00 0.00 WT1 H ATOM 23785 OH2 TIP3 8162 -3.295 -7.456 -3.054 1.00 0.00 WT1 O ATOM 23786 H1 TIP3 8162 -12.881 -14.869 12.256 1.00 0.00 WT1 H ATOM 23787 H2 TIP3 8162 -12.038 -14.124 11.478 1.00 0.00 WT1 H ATOM 23788 OH2 TIP3 8163 -2.401 -2.324 -1.528 1.00 0.00 WT1 O ATOM 23789 H1 TIP3 8163 -12.562 -3.758 -9.975 1.00 0.00 WT1 H ATOM 23790 H2 TIP3 8163 0.160 -18.529 9.128 1.00 0.00 WT1 H ATOM 23791 OH2 TIP3 8164 1.565 2.622 2.599 1.00 0.00 WT1 O ATOM 23792 H1 TIP3 8164 0.633 -8.343 9.025 1.00 0.00 WT1 H ATOM 23793 H2 TIP3 8164 6.742 12.569 -1.429 1.00 0.00 WT1 H ATOM 23794 OH2 TIP3 8165 1.126 2.128 4.374 1.00 0.00 WT1 O ATOM 23795 H1 TIP3 8165 3.153 2.071 1.217 1.00 0.00 WT1 H ATOM 23796 H2 TIP3 8165 10.479 -13.155 2.025 1.00 0.00 WT1 H ATOM 23797 OH2 TIP3 8166 -0.652 -1.591 -1.514 1.00 0.00 WT1 O ATOM 23798 H1 TIP3 8166 -13.521 -13.032 18.142 1.00 0.00 WT1 H ATOM 23799 H2 TIP3 8166 -5.241 -16.115 -1.927 1.00 0.00 WT1 H ATOM 23800 OH2 TIP3 8167 3.261 0.806 -1.872 1.00 0.00 WT1 O ATOM 23801 H1 TIP3 8167 -6.984 8.428 -0.758 1.00 0.00 WT1 H ATOM 23802 H2 TIP3 8167 3.289 3.368 2.132 1.00 0.00 WT1 H ATOM 23803 OH2 TIP3 8168 -3.476 1.146 -1.172 1.00 0.00 WT1 O ATOM 23804 H1 TIP3 8168 -8.782 -14.671 2.606 1.00 0.00 WT1 H ATOM 23805 H2 TIP3 8168 -16.207 8.662 -9.161 1.00 0.00 WT1 H ATOM 23806 OH2 TIP3 8169 2.486 -6.297 5.207 1.00 0.00 WT1 O ATOM 23807 H1 TIP3 8169 -8.368 -8.907 -0.113 1.00 0.00 WT1 H ATOM 23808 H2 TIP3 8169 5.446 -12.091 1.569 1.00 0.00 WT1 H ATOM 23809 OH2 TIP3 8170 -4.447 3.037 5.056 1.00 0.00 WT1 O ATOM 23810 H1 TIP3 8170 16.797 12.085 -7.409 1.00 0.00 WT1 H ATOM 23811 H2 TIP3 8170 -5.591 -22.785 5.962 1.00 0.00 WT1 H ATOM 23812 OH2 TIP3 8171 -2.091 -5.850 4.085 1.00 0.00 WT1 O ATOM 23813 H1 TIP3 8171 0.011 -17.833 -0.666 1.00 0.00 WT1 H ATOM 23814 H2 TIP3 8171 -9.393 16.993 -4.465 1.00 0.00 WT1 H ATOM 23815 OH2 TIP3 8172 2.522 -1.567 3.468 1.00 0.00 WT1 O ATOM 23816 H1 TIP3 8172 -15.997 2.075 -12.942 1.00 0.00 WT1 H ATOM 23817 H2 TIP3 8172 -0.641 -3.987 0.484 1.00 0.00 WT1 H ATOM 23818 OH2 TIP3 8173 -3.375 1.638 -2.469 1.00 0.00 WT1 O ATOM 23819 H1 TIP3 8173 5.206 1.950 -5.492 1.00 0.00 WT1 H ATOM 23820 H2 TIP3 8173 -5.867 -4.124 12.889 1.00 0.00 WT1 H ATOM 23821 OH2 TIP3 8174 2.475 -5.298 -1.368 1.00 0.00 WT1 O ATOM 23822 H1 TIP3 8174 14.126 -6.416 -8.611 1.00 0.00 WT1 H ATOM 23823 H2 TIP3 8174 -4.227 0.534 -12.520 1.00 0.00 WT1 H ATOM 23824 OH2 TIP3 8175 -2.814 0.932 -0.589 1.00 0.00 WT1 O ATOM 23825 H1 TIP3 8175 5.344 -1.333 13.746 1.00 0.00 WT1 H ATOM 23826 H2 TIP3 8175 9.929 -9.428 -9.219 1.00 0.00 WT1 H ATOM 23827 OH2 TIP3 8176 -1.072 4.866 2.108 1.00 0.00 WT1 O ATOM 23828 H1 TIP3 8176 -16.674 -8.560 -6.316 1.00 0.00 WT1 H ATOM 23829 H2 TIP3 8176 12.018 -3.246 -1.438 1.00 0.00 WT1 H ATOM 23830 OH2 TIP3 8177 3.737 -0.736 1.268 1.00 0.00 WT1 O ATOM 23831 H1 TIP3 8177 3.210 2.218 5.615 1.00 0.00 WT1 H ATOM 23832 H2 TIP3 8177 3.488 -5.344 -0.178 1.00 0.00 WT1 H ATOM 23833 OH2 TIP3 8178 -2.666 5.575 -0.799 1.00 0.00 WT1 O ATOM 23834 H1 TIP3 8178 -6.386 6.230 -4.750 1.00 0.00 WT1 H ATOM 23835 H2 TIP3 8178 -7.981 7.693 -9.939 1.00 0.00 WT1 H ATOM 23836 OH2 TIP3 8179 1.812 0.654 -0.771 1.00 0.00 WT1 O ATOM 23837 H1 TIP3 8179 5.542 1.927 13.464 1.00 0.00 WT1 H ATOM 23838 H2 TIP3 8179 -8.709 -12.001 -0.198 1.00 0.00 WT1 H ATOM 23839 OH2 TIP3 8180 -1.941 -2.581 0.125 1.00 0.00 WT1 O ATOM 23840 H1 TIP3 8180 -2.753 -5.859 -5.693 1.00 0.00 WT1 H ATOM 23841 H2 TIP3 8180 2.518 3.451 -1.559 1.00 0.00 WT1 H ATOM 23842 OH2 TIP3 8181 -0.394 -2.115 -1.016 1.00 0.00 WT1 O ATOM 23843 H1 TIP3 8181 4.005 -5.999 -17.071 1.00 0.00 WT1 H ATOM 23844 H2 TIP3 8181 4.168 37.114 -1.376 1.00 0.00 WT1 H ATOM 23845 OH2 TIP3 8182 1.581 4.393 3.144 1.00 0.00 WT1 O ATOM 23846 H1 TIP3 8182 -1.208 -1.905 12.802 1.00 0.00 WT1 H ATOM 23847 H2 TIP3 8182 6.639 -3.246 1.224 1.00 0.00 WT1 H ATOM 23848 OH2 TIP3 8183 0.103 -0.859 1.856 1.00 0.00 WT1 O ATOM 23849 H1 TIP3 8183 3.749 5.679 -2.021 1.00 0.00 WT1 H ATOM 23850 H2 TIP3 8183 5.587 -10.666 -3.842 1.00 0.00 WT1 H ATOM 23851 OH2 TIP3 8184 -0.082 1.374 9.880 1.00 0.00 WT1 O ATOM 23852 H1 TIP3 8184 -12.483 -4.839 12.916 1.00 0.00 WT1 H ATOM 23853 H2 TIP3 8184 5.819 4.028 7.282 1.00 0.00 WT1 H ATOM 23854 OH2 TIP3 8185 -6.527 0.781 -4.266 1.00 0.00 WT1 O ATOM 23855 H1 TIP3 8185 4.656 1.158 -6.879 1.00 0.00 WT1 H ATOM 23856 H2 TIP3 8185 -4.501 -2.426 -9.502 1.00 0.00 WT1 H ATOM 23857 OH2 TIP3 8186 0.432 3.083 -0.824 1.00 0.00 WT1 O ATOM 23858 H1 TIP3 8186 0.827 15.009 9.620 1.00 0.00 WT1 H ATOM 23859 H2 TIP3 8186 -14.934 -1.521 -20.814 1.00 0.00 WT1 H ATOM 23860 OH2 TIP3 8187 2.284 3.215 2.221 1.00 0.00 WT1 O ATOM 23861 H1 TIP3 8187 0.826 12.124 19.611 1.00 0.00 WT1 H ATOM 23862 H2 TIP3 8187 17.840 -2.048 -1.715 1.00 0.00 WT1 H ATOM 23863 OH2 TIP3 8188 -0.178 -3.152 -2.759 1.00 0.00 WT1 O ATOM 23864 H1 TIP3 8188 -4.809 10.773 8.762 1.00 0.00 WT1 H ATOM 23865 H2 TIP3 8188 -18.002 4.713 -13.572 1.00 0.00 WT1 H ATOM 23866 OH2 TIP3 8189 -5.642 -4.537 0.147 1.00 0.00 WT1 O ATOM 23867 H1 TIP3 8189 -8.187 1.971 -2.047 1.00 0.00 WT1 H ATOM 23868 H2 TIP3 8189 4.747 6.120 12.668 1.00 0.00 WT1 H ATOM 23869 OH2 TIP3 8190 -0.324 0.692 4.785 1.00 0.00 WT1 O ATOM 23870 H1 TIP3 8190 -28.467 10.639 15.905 1.00 0.00 WT1 H ATOM 23871 H2 TIP3 8190 18.994 -4.401 -0.433 1.00 0.00 WT1 H ATOM 23872 OH2 TIP3 8192 -2.643 -1.311 -2.191 1.00 0.00 WT1 O ATOM 23873 H1 TIP3 8192 -7.198 11.321 9.297 1.00 0.00 WT1 H ATOM 23874 H2 TIP3 8192 14.709 5.638 13.013 1.00 0.00 WT1 H ATOM 23875 OH2 TIP3 8193 7.791 2.950 3.796 1.00 0.00 WT1 O ATOM 23876 H1 TIP3 8193 13.331 -9.386 -5.346 1.00 0.00 WT1 H ATOM 23877 H2 TIP3 8193 4.846 0.972 26.120 1.00 0.00 WT1 H ATOM 23878 OH2 TIP3 8194 9.584 -3.612 4.014 1.00 0.00 WT1 O ATOM 23879 H1 TIP3 8194 4.797 -7.456 7.567 1.00 0.00 WT1 H ATOM 23880 H2 TIP3 8194 -18.640 4.424 -14.588 1.00 0.00 WT1 H ATOM 23881 OH2 TIP3 8195 4.271 -3.261 7.232 1.00 0.00 WT1 O ATOM 23882 H1 TIP3 8195 16.786 -9.064 11.617 1.00 0.00 WT1 H ATOM 23883 H2 TIP3 8195 8.480 -24.847 -8.715 1.00 0.00 WT1 H ATOM 23884 OH2 TIP3 8196 -4.598 -3.430 -1.519 1.00 0.00 WT1 O ATOM 23885 H1 TIP3 8196 9.485 -7.105 5.876 1.00 0.00 WT1 H ATOM 23886 H2 TIP3 8196 8.450 -18.862 -28.541 1.00 0.00 WT1 H ATOM 23887 OH2 TIP3 8197 0.163 -1.809 2.686 1.00 0.00 WT1 O ATOM 23888 H1 TIP3 8197 3.478 1.492 2.641 1.00 0.00 WT1 H ATOM 23889 H2 TIP3 8197 -1.207 5.331 -28.763 1.00 0.00 WT1 H ATOM 23890 OH2 TIP3 8198 3.120 -0.437 8.758 1.00 0.00 WT1 O ATOM 23891 H1 TIP3 8198 -23.931 26.108 25.488 1.00 0.00 WT1 H ATOM 23892 H2 TIP3 8198 21.327 11.971 -8.224 1.00 0.00 WT1 H ATOM 23893 OH2 TIP3 8199 1.620 3.481 -0.010 1.00 0.00 WT1 O ATOM 23894 H1 TIP3 8199 2.098 -11.872 -4.109 1.00 0.00 WT1 H ATOM 23895 H2 TIP3 8199 -9.895 -5.136 5.895 1.00 0.00 WT1 H ATOM 23896 OH2 TIP3 8200 0.524 8.403 8.353 1.00 0.00 WT1 O ATOM 23897 H1 TIP3 8200 12.086 8.428 4.356 1.00 0.00 WT1 H ATOM 23898 H2 TIP3 8200 -19.600 -2.576 18.361 1.00 0.00 WT1 H ATOM 23899 OH2 TIP3 8201 2.560 -0.533 4.165 1.00 0.00 WT1 O ATOM 23900 H1 TIP3 8201 22.834 3.696 11.297 1.00 0.00 WT1 H ATOM 23901 H2 TIP3 8201 15.709 -7.297 -27.465 1.00 0.00 WT1 H ATOM 23902 OH2 TIP3 8202 1.557 2.267 -3.703 1.00 0.00 WT1 O ATOM 23903 H1 TIP3 8202 -4.282 -12.391 -15.718 1.00 0.00 WT1 H ATOM 23904 H2 TIP3 8202 23.746 -4.495 -20.266 1.00 0.00 WT1 H ATOM 23905 OH2 TIP3 8203 -2.986 -0.754 -5.989 1.00 0.00 WT1 O ATOM 23906 H1 TIP3 8203 -2.444 -1.830 -0.752 1.00 0.00 WT1 H ATOM 23907 H2 TIP3 8203 1.864 -5.993 -2.973 1.00 0.00 WT1 H ATOM 23908 OH2 TIP3 8204 3.828 -4.777 -2.114 1.00 0.00 WT1 O ATOM 23909 H1 TIP3 8204 -3.580 -7.237 -9.462 1.00 0.00 WT1 H ATOM 23910 H2 TIP3 8204 9.120 -8.292 -1.756 1.00 0.00 WT1 H ATOM 23911 OH2 TIP3 8205 3.209 -0.862 -1.225 1.00 0.00 WT1 O ATOM 23912 H1 TIP3 8205 18.051 13.441 11.920 1.00 0.00 WT1 H ATOM 23913 H2 TIP3 8205 -15.624 12.741 -5.797 1.00 0.00 WT1 H ATOM 23914 OH2 TIP3 8206 -2.203 -4.550 -0.217 1.00 0.00 WT1 O ATOM 23915 H1 TIP3 8206 -4.248 2.908 18.549 1.00 0.00 WT1 H ATOM 23916 H2 TIP3 8206 5.941 -15.777 2.215 1.00 0.00 WT1 H ATOM 23917 OH2 TIP3 8207 -1.775 -1.014 -1.167 1.00 0.00 WT1 O ATOM 23918 H1 TIP3 8207 6.215 -18.841 6.776 1.00 0.00 WT1 H ATOM 23919 H2 TIP3 8207 -14.631 -13.300 -8.138 1.00 0.00 WT1 H ATOM 23920 OH2 TIP3 8208 -0.942 3.812 1.579 1.00 0.00 WT1 O ATOM 23921 H1 TIP3 8208 -24.045 -17.463 -4.584 1.00 0.00 WT1 H ATOM 23922 H2 TIP3 8208 17.162 -2.219 -0.317 1.00 0.00 WT1 H ATOM 23923 OH2 TIP3 8209 -2.547 -3.070 -3.350 1.00 0.00 WT1 O ATOM 23924 H1 TIP3 8209 -5.479 13.347 -35.760 1.00 0.00 WT1 H ATOM 23925 H2 TIP3 8209 14.136 15.116 17.846 1.00 0.00 WT1 H ATOM 23926 OH2 TIP3 8210 -2.871 6.490 4.212 1.00 0.00 WT1 O ATOM 23927 H1 TIP3 8210 1.394 -2.416 6.891 1.00 0.00 WT1 H ATOM 23928 H2 TIP3 8210 -2.900 -7.773 10.697 1.00 0.00 WT1 H ATOM 23929 OH2 TIP3 8212 5.123 -4.691 2.494 1.00 0.00 WT1 O ATOM 23930 H1 TIP3 8212 -1.259 14.595 10.692 1.00 0.00 WT1 H ATOM 23931 H2 TIP3 8212 0.930 17.193 5.365 1.00 0.00 WT1 H ATOM 23932 OH2 TIP3 8215 -4.420 1.314 1.495 1.00 0.00 WT1 O ATOM 23933 H1 TIP3 8215 12.511 -0.553 22.136 1.00 0.00 WT1 H ATOM 23934 H2 TIP3 8215 -3.958 5.767 -19.145 1.00 0.00 WT1 H ATOM 23935 OH2 TIP3 8216 4.901 0.417 5.113 1.00 0.00 WT1 O ATOM 23936 H1 TIP3 8216 -0.661 4.893 -6.921 1.00 0.00 WT1 H ATOM 23937 H2 TIP3 8216 3.774 -17.718 9.145 1.00 0.00 WT1 H ATOM 23938 OH2 TIP3 8217 -2.920 -0.444 3.517 1.00 0.00 WT1 O ATOM 23939 H1 TIP3 8217 -3.900 -1.121 10.133 1.00 0.00 WT1 H ATOM 23940 H2 TIP3 8217 -3.561 -2.282 7.165 1.00 0.00 WT1 H ATOM 23941 OH2 TIP3 8218 0.125 -0.209 3.551 1.00 0.00 WT1 O ATOM 23942 H1 TIP3 8218 2.916 -2.272 -8.904 1.00 0.00 WT1 H ATOM 23943 H2 TIP3 8218 -3.688 11.355 0.984 1.00 0.00 WT1 H ATOM 23944 OH2 TIP3 8219 3.821 2.025 1.902 1.00 0.00 WT1 O ATOM 23945 H1 TIP3 8219 10.700 4.769 5.437 1.00 0.00 WT1 H ATOM 23946 H2 TIP3 8219 -4.594 -5.036 3.749 1.00 0.00 WT1 H ATOM 23947 OH2 TIP3 8220 0.161 5.670 -0.988 1.00 0.00 WT1 O ATOM 23948 H1 TIP3 8220 -0.458 -22.002 -0.454 1.00 0.00 WT1 H ATOM 23949 H2 TIP3 8220 8.606 -25.901 5.564 1.00 0.00 WT1 H ATOM 23950 OH2 TIP3 8221 0.785 1.664 0.060 1.00 0.00 WT1 O ATOM 23951 H1 TIP3 8221 -6.599 -8.433 -3.479 1.00 0.00 WT1 H ATOM 23952 H2 TIP3 8221 6.136 16.587 1.712 1.00 0.00 WT1 H ATOM 23953 OH2 TIP3 8222 -2.323 4.515 -3.466 1.00 0.00 WT1 O ATOM 23954 H1 TIP3 8222 -0.284 -10.127 3.224 1.00 0.00 WT1 H ATOM 23955 H2 TIP3 8222 -5.515 -24.220 3.559 1.00 0.00 WT1 H ATOM 23956 OH2 TIP3 8223 -1.157 -1.937 3.489 1.00 0.00 WT1 O ATOM 23957 H1 TIP3 8223 -26.356 34.009 -22.036 1.00 0.00 WT1 H ATOM 23958 H2 TIP3 8223 -7.538 10.654 -0.161 1.00 0.00 WT1 H ATOM 23959 OH2 TIP3 8224 -3.888 -1.317 2.354 1.00 0.00 WT1 O ATOM 23960 H1 TIP3 8224 -23.478 2.208 -4.766 1.00 0.00 WT1 H ATOM 23961 H2 TIP3 8224 7.676 -2.737 7.785 1.00 0.00 WT1 H ATOM 23962 OH2 TIP3 8225 4.671 5.276 -2.229 1.00 0.00 WT1 O ATOM 23963 H1 TIP3 8225 -10.324 1.679 -21.297 1.00 0.00 WT1 H ATOM 23964 H2 TIP3 8225 -12.289 -0.368 -21.875 1.00 0.00 WT1 H ATOM 23965 OH2 TIP3 8226 0.627 1.131 -0.616 1.00 0.00 WT1 O ATOM 23966 H1 TIP3 8226 -9.933 -10.810 -14.269 1.00 0.00 WT1 H ATOM 23967 H2 TIP3 8226 -16.374 6.935 15.244 1.00 0.00 WT1 H ATOM 23968 OH2 TIP3 8227 2.641 0.810 -6.222 1.00 0.00 WT1 O ATOM 23969 H1 TIP3 8227 -13.092 -31.547 -10.427 1.00 0.00 WT1 H ATOM 23970 H2 TIP3 8227 -6.518 11.608 -1.139 1.00 0.00 WT1 H ATOM 23971 OH2 TIP3 8228 -3.126 0.395 -4.075 1.00 0.00 WT1 O ATOM 23972 H1 TIP3 8228 3.290 7.432 8.238 1.00 0.00 WT1 H ATOM 23973 H2 TIP3 8228 2.763 -13.172 -2.838 1.00 0.00 WT1 H ATOM 23974 OH2 TIP3 8229 -1.655 -0.819 -3.365 1.00 0.00 WT1 O ATOM 23975 H1 TIP3 8229 -25.127 22.426 3.257 1.00 0.00 WT1 H ATOM 23976 H2 TIP3 8229 9.724 9.699 -8.824 1.00 0.00 WT1 H ATOM 23977 OH2 TIP3 8230 -1.611 0.023 2.584 1.00 0.00 WT1 O ATOM 23978 H1 TIP3 8230 -7.990 11.366 6.365 1.00 0.00 WT1 H ATOM 23979 H2 TIP3 8230 -6.548 -21.497 -1.855 1.00 0.00 WT1 H ATOM 23980 OH2 TIP3 8231 -4.539 2.097 0.539 1.00 0.00 WT1 O ATOM 23981 H1 TIP3 8231 12.121 5.487 -9.569 1.00 0.00 WT1 H ATOM 23982 H2 TIP3 8231 21.018 -5.338 3.560 1.00 0.00 WT1 H ATOM 23983 OH2 TIP3 8232 3.776 -2.895 0.487 1.00 0.00 WT1 O ATOM 23984 H1 TIP3 8232 9.066 -11.160 4.390 1.00 0.00 WT1 H ATOM 23985 H2 TIP3 8232 -1.543 4.797 3.515 1.00 0.00 WT1 H ATOM 23986 OH2 TIP3 8233 5.266 8.698 5.433 1.00 0.00 WT1 O ATOM 23987 H1 TIP3 8233 4.268 -12.080 -23.703 1.00 0.00 WT1 H ATOM 23988 H2 TIP3 8233 18.002 -10.561 32.704 1.00 0.00 WT1 H ATOM 23989 OH2 TIP3 8234 8.042 0.863 1.200 1.00 0.00 WT1 O ATOM 23990 H1 TIP3 8234 10.527 -1.826 1.020 1.00 0.00 WT1 H ATOM 23991 H2 TIP3 8234 9.499 -2.521 -6.322 1.00 0.00 WT1 H ATOM 23992 OH2 TIP3 8235 -1.434 0.348 -5.550 1.00 0.00 WT1 O ATOM 23993 H1 TIP3 8235 -1.231 -9.637 19.541 1.00 0.00 WT1 H ATOM 23994 H2 TIP3 8235 -7.087 26.429 -22.026 1.00 0.00 WT1 H ATOM 23995 OH2 TIP3 8236 8.281 -3.795 2.515 1.00 0.00 WT1 O ATOM 23996 H1 TIP3 8236 6.543 -6.843 -2.946 1.00 0.00 WT1 H ATOM 23997 H2 TIP3 8236 4.420 1.390 -2.003 1.00 0.00 WT1 H ATOM 23998 OH2 TIP3 8237 -5.070 -6.277 3.963 1.00 0.00 WT1 O ATOM 23999 H1 TIP3 8237 -2.400 15.703 -9.563 1.00 0.00 WT1 H ATOM 24000 H2 TIP3 8237 -1.629 2.440 9.118 1.00 0.00 WT1 H ATOM 24001 OH2 TIP3 8238 -2.193 -7.746 4.849 1.00 0.00 WT1 O ATOM 24002 H1 TIP3 8238 0.928 -10.296 8.864 1.00 0.00 WT1 H ATOM 24003 H2 TIP3 8238 -2.933 1.196 2.837 1.00 0.00 WT1 H ATOM 24004 OH2 TIP3 8239 2.124 -1.110 -2.291 1.00 0.00 WT1 O ATOM 24005 H1 TIP3 8239 -2.087 -6.598 -4.076 1.00 0.00 WT1 H ATOM 24006 H2 TIP3 8239 -2.416 3.046 -3.914 1.00 0.00 WT1 H ATOM 24007 OH2 TIP3 8240 -2.253 -4.650 -7.750 1.00 0.00 WT1 O ATOM 24008 H1 TIP3 8240 11.476 6.817 6.760 1.00 0.00 WT1 H ATOM 24009 H2 TIP3 8240 6.705 1.275 -7.445 1.00 0.00 WT1 H ATOM 24010 OH2 TIP3 8241 1.094 -3.107 6.626 1.00 0.00 WT1 O ATOM 24011 H1 TIP3 8241 -8.222 -1.270 -6.340 1.00 0.00 WT1 H ATOM 24012 H2 TIP3 8241 8.864 -0.787 6.372 1.00 0.00 WT1 H ATOM 24013 OH2 TIP3 8242 1.075 3.410 0.659 1.00 0.00 WT1 O ATOM 24014 H1 TIP3 8242 -0.713 4.210 2.236 1.00 0.00 WT1 H ATOM 24015 H2 TIP3 8242 24.052 3.406 13.112 1.00 0.00 WT1 H ATOM 24016 OH2 TIP3 8244 4.809 0.654 -4.891 1.00 0.00 WT1 O ATOM 24017 H1 TIP3 8244 6.812 -1.975 -5.240 1.00 0.00 WT1 H ATOM 24018 H2 TIP3 8244 4.625 1.487 -4.891 1.00 0.00 WT1 H ATOM 24019 OH2 TIP3 8245 -0.960 0.013 1.210 1.00 0.00 WT1 O ATOM 24020 H1 TIP3 8245 6.320 -12.734 -14.133 1.00 0.00 WT1 H ATOM 24021 H2 TIP3 8245 -21.534 -5.407 6.883 1.00 0.00 WT1 H ATOM 24022 OH2 TIP3 8246 -6.541 -1.445 -1.823 1.00 0.00 WT1 O ATOM 24023 H1 TIP3 8246 -8.769 5.066 5.370 1.00 0.00 WT1 H ATOM 24024 H2 TIP3 8246 -3.562 5.196 -3.570 1.00 0.00 WT1 H ATOM 24025 OH2 TIP3 8248 0.559 -4.236 -8.465 1.00 0.00 WT1 O ATOM 24026 H1 TIP3 8248 1.949 -20.145 -5.487 1.00 0.00 WT1 H ATOM 24027 H2 TIP3 8248 1.163 19.273 -8.869 1.00 0.00 WT1 H ATOM 24028 OH2 TIP3 8249 -0.765 4.794 -4.828 1.00 0.00 WT1 O ATOM 24029 H1 TIP3 8249 -17.631 10.087 -3.630 1.00 0.00 WT1 H ATOM 24030 H2 TIP3 8249 1.432 6.064 -0.843 1.00 0.00 WT1 H ATOM 24031 OH2 TIP3 8250 3.429 -2.278 -1.193 1.00 0.00 WT1 O ATOM 24032 H1 TIP3 8250 9.372 21.941 7.293 1.00 0.00 WT1 H ATOM 24033 H2 TIP3 8250 1.932 8.019 -12.291 1.00 0.00 WT1 H ATOM 24034 OH2 TIP3 8251 -2.330 -1.726 -1.200 1.00 0.00 WT1 O ATOM 24035 H1 TIP3 8251 4.433 -2.488 13.387 1.00 0.00 WT1 H ATOM 24036 H2 TIP3 8251 -11.141 9.011 -4.738 1.00 0.00 WT1 H ATOM 24037 OH2 TIP3 8252 1.412 2.601 1.068 1.00 0.00 WT1 O ATOM 24038 H1 TIP3 8252 11.795 0.202 -4.091 1.00 0.00 WT1 H ATOM 24039 H2 TIP3 8252 12.883 3.778 -3.030 1.00 0.00 WT1 H ATOM 24040 OH2 TIP3 8253 4.923 -0.111 -6.535 1.00 0.00 WT1 O ATOM 24041 H1 TIP3 8253 3.789 -0.072 0.622 1.00 0.00 WT1 H ATOM 24042 H2 TIP3 8253 2.344 -8.603 -9.310 1.00 0.00 WT1 H ATOM 24043 OH2 TIP3 8254 -2.291 2.256 -2.719 1.00 0.00 WT1 O ATOM 24044 H1 TIP3 8254 12.670 0.262 -27.893 1.00 0.00 WT1 H ATOM 24045 H2 TIP3 8254 -4.776 11.629 6.769 1.00 0.00 WT1 H ATOM 24046 OH2 TIP3 8255 0.950 3.193 -6.647 1.00 0.00 WT1 O ATOM 24047 H1 TIP3 8255 15.961 9.006 -25.219 1.00 0.00 WT1 H ATOM 24048 H2 TIP3 8255 17.617 0.424 6.787 1.00 0.00 WT1 H ATOM 24049 OH2 TIP3 8256 -1.684 1.892 -0.270 1.00 0.00 WT1 O ATOM 24050 H1 TIP3 8256 -2.139 13.439 -5.586 1.00 0.00 WT1 H ATOM 24051 H2 TIP3 8256 14.002 17.724 12.815 1.00 0.00 WT1 H ATOM 24052 OH2 TIP3 8257 -1.597 0.247 -1.669 1.00 0.00 WT1 O ATOM 24053 H1 TIP3 8257 -20.218 -0.229 -4.818 1.00 0.00 WT1 H ATOM 24054 H2 TIP3 8257 14.743 -12.851 7.690 1.00 0.00 WT1 H ATOM 24055 OH2 TIP3 8258 -1.558 -4.000 2.580 1.00 0.00 WT1 O ATOM 24056 H1 TIP3 8258 16.225 3.153 8.528 1.00 0.00 WT1 H ATOM 24057 H2 TIP3 8258 -11.358 -5.218 -13.966 1.00 0.00 WT1 H ATOM 24058 OH2 TIP3 8259 7.397 2.317 1.043 1.00 0.00 WT1 O ATOM 24059 H1 TIP3 8259 3.734 -3.247 3.366 1.00 0.00 WT1 H ATOM 24060 H2 TIP3 8259 4.590 -1.478 0.968 1.00 0.00 WT1 H ATOM 24061 OH2 TIP3 8260 -5.805 -2.712 0.847 1.00 0.00 WT1 O ATOM 24062 H1 TIP3 8260 5.942 -8.960 9.538 1.00 0.00 WT1 H ATOM 24063 H2 TIP3 8260 -4.557 -5.112 -11.889 1.00 0.00 WT1 H ATOM 24064 OH2 TIP3 8261 4.585 0.308 -4.086 1.00 0.00 WT1 O ATOM 24065 H1 TIP3 8261 7.165 2.139 1.306 1.00 0.00 WT1 H ATOM 24066 H2 TIP3 8261 1.021 -3.094 -7.622 1.00 0.00 WT1 H ATOM 24067 OH2 TIP3 8262 -2.156 -0.525 -2.518 1.00 0.00 WT1 O ATOM 24068 H1 TIP3 8262 -2.301 -17.108 -8.742 1.00 0.00 WT1 H ATOM 24069 H2 TIP3 8262 -3.212 -7.775 -7.268 1.00 0.00 WT1 H ATOM 24070 OH2 TIP3 8263 1.310 0.782 -7.414 1.00 0.00 WT1 O ATOM 24071 H1 TIP3 8263 2.159 -1.140 -4.871 1.00 0.00 WT1 H ATOM 24072 H2 TIP3 8263 0.861 -0.022 -10.591 1.00 0.00 WT1 H ATOM 24073 OH2 TIP3 8264 3.840 -3.157 2.172 1.00 0.00 WT1 O ATOM 24074 H1 TIP3 8264 6.473 -18.133 1.669 1.00 0.00 WT1 H ATOM 24075 H2 TIP3 8264 1.940 7.765 5.610 1.00 0.00 WT1 H ATOM 24076 OH2 TIP3 8265 -3.408 -1.272 -3.637 1.00 0.00 WT1 O ATOM 24077 H1 TIP3 8265 -4.036 -27.282 0.773 1.00 0.00 WT1 H ATOM 24078 H2 TIP3 8265 -19.890 -18.270 11.683 1.00 0.00 WT1 H ATOM 24079 OH2 TIP3 8266 0.724 -6.620 4.916 1.00 0.00 WT1 O ATOM 24080 H1 TIP3 8266 -15.230 -13.494 4.284 1.00 0.00 WT1 H ATOM 24081 H2 TIP3 8266 -1.541 -0.128 29.088 1.00 0.00 WT1 H ATOM 24082 OH2 TIP3 8267 -5.321 -8.843 5.708 1.00 0.00 WT1 O ATOM 24083 H1 TIP3 8267 -13.816 -10.494 6.483 1.00 0.00 WT1 H ATOM 24084 H2 TIP3 8267 -12.688 -13.731 -4.170 1.00 0.00 WT1 H ATOM 24085 OH2 TIP3 8268 1.840 6.515 6.601 1.00 0.00 WT1 O ATOM 24086 H1 TIP3 8268 -6.680 -13.152 -12.717 1.00 0.00 WT1 H ATOM 24087 H2 TIP3 8268 32.804 11.530 15.596 1.00 0.00 WT1 H ATOM 24088 OH2 TIP3 8269 -4.365 -3.003 1.799 1.00 0.00 WT1 O ATOM 24089 H1 TIP3 8269 -37.829 22.487 14.037 1.00 0.00 WT1 H ATOM 24090 H2 TIP3 8269 25.796 -7.980 -13.963 1.00 0.00 WT1 H ATOM 24091 OH2 TIP3 8271 -0.224 -2.316 -0.135 1.00 0.00 WT1 O ATOM 24092 H1 TIP3 8271 12.421 -10.144 2.090 1.00 0.00 WT1 H ATOM 24093 H2 TIP3 8271 -10.262 5.023 4.401 1.00 0.00 WT1 H ATOM 24094 OH2 TIP3 8272 -2.711 0.742 10.105 1.00 0.00 WT1 O ATOM 24095 H1 TIP3 8272 0.776 -9.386 -3.917 1.00 0.00 WT1 H ATOM 24096 H2 TIP3 8272 -8.593 -8.304 6.022 1.00 0.00 WT1 H ATOM 24097 OH2 TIP3 8273 -7.699 2.356 -1.665 1.00 0.00 WT1 O ATOM 24098 H1 TIP3 8273 -15.316 2.629 1.436 1.00 0.00 WT1 H ATOM 24099 H2 TIP3 8273 6.246 8.445 -5.197 1.00 0.00 WT1 H ATOM 24100 OH2 TIP3 8274 2.993 -0.099 4.898 1.00 0.00 WT1 O ATOM 24101 H1 TIP3 8274 28.477 -0.908 4.678 1.00 0.00 WT1 H ATOM 24102 H2 TIP3 8274 -10.294 -6.014 17.490 1.00 0.00 WT1 H ATOM 24103 OH2 TIP3 8275 -2.478 2.363 -6.002 1.00 0.00 WT1 O ATOM 24104 H1 TIP3 8275 -3.919 -5.744 -11.594 1.00 0.00 WT1 H ATOM 24105 H2 TIP3 8275 5.528 -0.151 14.023 1.00 0.00 WT1 H ATOM 24106 OH2 TIP3 8276 -4.637 -0.956 1.815 1.00 0.00 WT1 O ATOM 24107 H1 TIP3 8276 -9.303 10.600 4.057 1.00 0.00 WT1 H ATOM 24108 H2 TIP3 8276 -7.767 -12.286 -11.223 1.00 0.00 WT1 H ATOM 24109 OH2 TIP3 8277 -0.081 -5.017 -2.565 1.00 0.00 WT1 O ATOM 24110 H1 TIP3 8277 -13.939 5.031 -22.554 1.00 0.00 WT1 H ATOM 24111 H2 TIP3 8277 -5.668 -3.141 6.620 1.00 0.00 WT1 H ATOM 24112 OH2 TIP3 8278 -0.953 -0.286 -3.014 1.00 0.00 WT1 O ATOM 24113 H1 TIP3 8278 -18.218 -11.380 22.117 1.00 0.00 WT1 H ATOM 24114 H2 TIP3 8278 -11.038 -2.877 7.656 1.00 0.00 WT1 H ATOM 24115 OH2 TIP3 8279 6.087 -2.804 -2.682 1.00 0.00 WT1 O ATOM 24116 H1 TIP3 8279 4.237 -4.618 0.311 1.00 0.00 WT1 H ATOM 24117 H2 TIP3 8279 3.214 7.240 -5.724 1.00 0.00 WT1 H ATOM 24118 OH2 TIP3 8280 5.270 -3.038 -6.540 1.00 0.00 WT1 O ATOM 24119 H1 TIP3 8280 7.045 18.268 -1.020 1.00 0.00 WT1 H ATOM 24120 H2 TIP3 8280 7.992 1.541 -12.336 1.00 0.00 WT1 H ATOM 24121 OH2 TIP3 8281 0.567 2.375 -3.290 1.00 0.00 WT1 O ATOM 24122 H1 TIP3 8281 8.660 6.972 -12.056 1.00 0.00 WT1 H ATOM 24123 H2 TIP3 8281 7.437 -3.345 5.724 1.00 0.00 WT1 H ATOM 24124 OH2 TIP3 8282 2.210 4.207 0.921 1.00 0.00 WT1 O ATOM 24125 H1 TIP3 8282 -2.623 1.913 -0.025 1.00 0.00 WT1 H ATOM 24126 H2 TIP3 8282 12.271 -12.763 26.382 1.00 0.00 WT1 H ATOM 24127 OH2 TIP3 8283 3.178 1.674 1.145 1.00 0.00 WT1 O ATOM 24128 H1 TIP3 8283 6.242 4.640 0.703 1.00 0.00 WT1 H ATOM 24129 H2 TIP3 8283 -9.439 -18.182 5.211 1.00 0.00 WT1 H ATOM 24130 OH2 TIP3 8285 4.479 3.499 -1.796 1.00 0.00 WT1 O ATOM 24131 H1 TIP3 8285 0.817 9.239 -31.500 1.00 0.00 WT1 H ATOM 24132 H2 TIP3 8285 20.054 -19.206 -0.467 1.00 0.00 WT1 H ATOM 24133 OH2 TIP3 8286 -0.396 0.343 3.111 1.00 0.00 WT1 O ATOM 24134 H1 TIP3 8286 -1.007 -0.933 -16.563 1.00 0.00 WT1 H ATOM 24135 H2 TIP3 8286 -1.388 -6.819 11.609 1.00 0.00 WT1 H ATOM 24136 OH2 TIP3 8287 5.755 5.066 3.105 1.00 0.00 WT1 O ATOM 24137 H1 TIP3 8287 -5.051 3.312 7.431 1.00 0.00 WT1 H ATOM 24138 H2 TIP3 8287 10.126 9.441 -1.627 1.00 0.00 WT1 H ATOM 24139 OH2 TIP3 8288 -3.716 -0.076 3.662 1.00 0.00 WT1 O ATOM 24140 H1 TIP3 8288 -4.596 5.651 17.783 1.00 0.00 WT1 H ATOM 24141 H2 TIP3 8288 3.235 -3.655 13.373 1.00 0.00 WT1 H ATOM 24142 OH2 TIP3 8289 -6.788 3.773 -1.869 1.00 0.00 WT1 O ATOM 24143 H1 TIP3 8289 -12.724 7.306 -9.447 1.00 0.00 WT1 H ATOM 24144 H2 TIP3 8289 -8.799 -8.693 13.260 1.00 0.00 WT1 H ATOM 24145 OH2 TIP3 8290 -5.304 1.730 -0.573 1.00 0.00 WT1 O ATOM 24146 H1 TIP3 8290 10.751 0.757 -9.714 1.00 0.00 WT1 H ATOM 24147 H2 TIP3 8290 21.220 1.694 -23.511 1.00 0.00 WT1 H ATOM 24148 OH2 TIP3 8291 1.600 -0.902 2.860 1.00 0.00 WT1 O ATOM 24149 H1 TIP3 8291 6.346 -8.422 33.989 1.00 0.00 WT1 H ATOM 24150 H2 TIP3 8291 7.247 -1.162 22.265 1.00 0.00 WT1 H ATOM 24151 OH2 TIP3 8292 2.360 -6.111 0.624 1.00 0.00 WT1 O ATOM 24152 H1 TIP3 8292 4.583 -10.991 5.145 1.00 0.00 WT1 H ATOM 24153 H2 TIP3 8292 10.904 2.849 1.573 1.00 0.00 WT1 H ATOM 24154 OH2 TIP3 8293 0.794 3.424 3.140 1.00 0.00 WT1 O ATOM 24155 H1 TIP3 8293 0.159 -3.485 7.717 1.00 0.00 WT1 H ATOM 24156 H2 TIP3 8293 -1.463 1.018 -0.998 1.00 0.00 WT1 H ATOM 24157 OH2 TIP3 8294 1.645 -11.940 -3.073 1.00 0.00 WT1 O ATOM 24158 H1 TIP3 8294 6.288 -11.451 -1.489 1.00 0.00 WT1 H ATOM 24159 H2 TIP3 8294 4.040 -11.269 -2.388 1.00 0.00 WT1 H ATOM 24160 OH2 TIP3 8295 -0.850 -2.292 4.336 1.00 0.00 WT1 O ATOM 24161 H1 TIP3 8295 6.922 -8.960 5.613 1.00 0.00 WT1 H ATOM 24162 H2 TIP3 8295 -6.615 15.010 -0.554 1.00 0.00 WT1 H ATOM 24163 OH2 TIP3 8296 -1.457 -3.170 -1.463 1.00 0.00 WT1 O ATOM 24164 H1 TIP3 8296 6.609 -0.820 -26.997 1.00 0.00 WT1 H ATOM 24165 H2 TIP3 8296 10.099 -19.994 -25.515 1.00 0.00 WT1 H ATOM 24166 OH2 TIP3 8297 5.876 2.574 -1.243 1.00 0.00 WT1 O ATOM 24167 H1 TIP3 8297 -2.323 4.782 -4.636 1.00 0.00 WT1 H ATOM 24168 H2 TIP3 8297 -20.811 1.583 -14.248 1.00 0.00 WT1 H ATOM 24169 OH2 TIP3 8298 -2.013 1.707 -1.146 1.00 0.00 WT1 O ATOM 24170 H1 TIP3 8298 6.927 2.406 -4.904 1.00 0.00 WT1 H ATOM 24171 H2 TIP3 8298 -4.525 3.428 -5.316 1.00 0.00 WT1 H ATOM 24172 OH2 TIP3 8299 6.376 -6.572 0.082 1.00 0.00 WT1 O ATOM 24173 H1 TIP3 8299 -0.719 -4.340 0.806 1.00 0.00 WT1 H ATOM 24174 H2 TIP3 8299 -11.521 26.323 6.990 1.00 0.00 WT1 H ATOM 24175 OH2 TIP3 8300 0.897 0.165 1.856 1.00 0.00 WT1 O ATOM 24176 H1 TIP3 8300 -6.400 -5.476 11.067 1.00 0.00 WT1 H ATOM 24177 H2 TIP3 8300 11.932 -7.302 0.224 1.00 0.00 WT1 H ATOM 24178 OH2 TIP3 8301 4.731 -4.475 2.920 1.00 0.00 WT1 O ATOM 24179 H1 TIP3 8301 -10.292 17.643 8.393 1.00 0.00 WT1 H ATOM 24180 H2 TIP3 8301 25.253 9.308 -9.416 1.00 0.00 WT1 H ATOM 24181 OH2 TIP3 8302 -1.279 1.199 4.182 1.00 0.00 WT1 O ATOM 24182 H1 TIP3 8302 -2.305 3.423 18.738 1.00 0.00 WT1 H ATOM 24183 H2 TIP3 8302 14.640 9.558 -7.568 1.00 0.00 WT1 H ATOM 24184 OH2 TIP3 8303 2.209 7.410 -3.652 1.00 0.00 WT1 O ATOM 24185 H1 TIP3 8303 -15.551 -0.220 -3.544 1.00 0.00 WT1 H ATOM 24186 H2 TIP3 8303 -1.711 1.718 -11.639 1.00 0.00 WT1 H ATOM 24187 OH2 TIP3 8304 1.729 3.278 -3.065 1.00 0.00 WT1 O ATOM 24188 H1 TIP3 8304 -9.491 -6.176 -9.814 1.00 0.00 WT1 H ATOM 24189 H2 TIP3 8304 -23.049 21.227 -7.954 1.00 0.00 WT1 H ATOM 24190 OH2 TIP3 8305 -2.725 2.204 -0.475 1.00 0.00 WT1 O ATOM 24191 H1 TIP3 8305 9.545 7.592 -1.399 1.00 0.00 WT1 H ATOM 24192 H2 TIP3 8305 -18.403 29.267 26.127 1.00 0.00 WT1 H ATOM 24193 OH2 TIP3 8306 -1.804 -0.283 -0.409 1.00 0.00 WT1 O ATOM 24194 H1 TIP3 8306 -13.182 16.746 9.604 1.00 0.00 WT1 H ATOM 24195 H2 TIP3 8306 5.746 -13.645 -9.514 1.00 0.00 WT1 H ATOM 24196 OH2 TIP3 8307 3.066 -0.284 -5.870 1.00 0.00 WT1 O ATOM 24197 H1 TIP3 8307 7.333 6.628 -1.115 1.00 0.00 WT1 H ATOM 24198 H2 TIP3 8307 -10.895 -19.793 -19.449 1.00 0.00 WT1 H ATOM 24199 OH2 TIP3 8308 3.243 11.048 7.467 1.00 0.00 WT1 O ATOM 24200 H1 TIP3 8308 6.416 17.987 16.319 1.00 0.00 WT1 H ATOM 24201 H2 TIP3 8308 -7.600 -11.659 1.784 1.00 0.00 WT1 H ATOM 24202 OH2 TIP3 8309 -4.478 0.863 2.430 1.00 0.00 WT1 O ATOM 24203 H1 TIP3 8309 -9.030 6.848 -7.837 1.00 0.00 WT1 H ATOM 24204 H2 TIP3 8309 -9.891 -13.659 -27.623 1.00 0.00 WT1 H ATOM 24205 OH2 TIP3 8310 0.088 3.699 3.625 1.00 0.00 WT1 O ATOM 24206 H1 TIP3 8310 -8.688 -9.511 7.793 1.00 0.00 WT1 H ATOM 24207 H2 TIP3 8310 -3.626 17.014 -17.844 1.00 0.00 WT1 H ATOM 24208 OH2 TIP3 8311 2.570 7.529 -5.158 1.00 0.00 WT1 O ATOM 24209 H1 TIP3 8311 6.508 12.901 -15.938 1.00 0.00 WT1 H ATOM 24210 H2 TIP3 8311 5.879 -4.289 -6.171 1.00 0.00 WT1 H ATOM 24211 OH2 TIP3 8312 -3.258 -0.779 12.672 1.00 0.00 WT1 O ATOM 24212 H1 TIP3 8312 -26.545 7.149 7.821 1.00 0.00 WT1 H ATOM 24213 H2 TIP3 8312 5.144 -15.128 -1.330 1.00 0.00 WT1 H ATOM 24214 OH2 TIP3 8313 0.312 -4.985 0.685 1.00 0.00 WT1 O ATOM 24215 H1 TIP3 8313 -19.654 -0.586 -2.269 1.00 0.00 WT1 H ATOM 24216 H2 TIP3 8313 11.474 -11.866 -1.094 1.00 0.00 WT1 H ATOM 24217 OH2 TIP3 8314 -0.115 -5.996 -0.164 1.00 0.00 WT1 O ATOM 24218 H1 TIP3 8314 -1.315 -9.294 -7.935 1.00 0.00 WT1 H ATOM 24219 H2 TIP3 8314 3.071 2.554 14.501 1.00 0.00 WT1 H ATOM 24220 OH2 TIP3 8315 -8.896 6.780 1.715 1.00 0.00 WT1 O ATOM 24221 H1 TIP3 8315 -4.748 2.473 5.591 1.00 0.00 WT1 H ATOM 24222 H2 TIP3 8315 0.530 -2.794 13.878 1.00 0.00 WT1 H ATOM 24223 OH2 TIP3 8316 3.289 -1.973 2.187 1.00 0.00 WT1 O ATOM 24224 H1 TIP3 8316 -8.646 2.523 -3.963 1.00 0.00 WT1 H ATOM 24225 H2 TIP3 8316 -5.545 6.537 -6.814 1.00 0.00 WT1 H ATOM 24226 OH2 TIP3 8317 -7.652 -6.204 -4.192 1.00 0.00 WT1 O ATOM 24227 H1 TIP3 8317 16.474 -8.145 -6.870 1.00 0.00 WT1 H ATOM 24228 H2 TIP3 8317 8.891 -14.540 11.629 1.00 0.00 WT1 H ATOM 24229 OH2 TIP3 8319 -1.615 1.795 2.268 1.00 0.00 WT1 O ATOM 24230 H1 TIP3 8319 -0.226 1.074 -0.901 1.00 0.00 WT1 H ATOM 24231 H2 TIP3 8319 6.482 1.091 4.874 1.00 0.00 WT1 H ATOM 24232 OH2 TIP3 8321 2.780 -6.157 1.351 1.00 0.00 WT1 O ATOM 24233 H1 TIP3 8321 0.287 -28.004 16.227 1.00 0.00 WT1 H ATOM 24234 H2 TIP3 8321 -13.238 1.881 -26.729 1.00 0.00 WT1 H ATOM 24235 OH2 TIP3 8322 -3.883 1.996 -1.533 1.00 0.00 WT1 O ATOM 24236 H1 TIP3 8322 -6.189 4.761 3.746 1.00 0.00 WT1 H ATOM 24237 H2 TIP3 8322 8.097 3.525 -28.267 1.00 0.00 WT1 H ATOM 24238 OH2 TIP3 8323 5.690 -3.948 -2.615 1.00 0.00 WT1 O ATOM 24239 H1 TIP3 8323 21.241 -4.578 -7.581 1.00 0.00 WT1 H ATOM 24240 H2 TIP3 8323 -16.945 3.646 3.198 1.00 0.00 WT1 H ATOM 24241 OH2 TIP3 8324 -9.392 3.795 3.145 1.00 0.00 WT1 O ATOM 24242 H1 TIP3 8324 -2.092 -23.687 15.603 1.00 0.00 WT1 H ATOM 24243 H2 TIP3 8324 -9.324 -14.278 8.594 1.00 0.00 WT1 H ATOM 24244 OH2 TIP3 8325 5.843 0.804 0.836 1.00 0.00 WT1 O ATOM 24245 H1 TIP3 8325 9.658 -1.636 -14.371 1.00 0.00 WT1 H ATOM 24246 H2 TIP3 8325 4.200 16.732 -0.221 1.00 0.00 WT1 H ATOM 24247 OH2 TIP3 8326 -2.479 0.823 -3.225 1.00 0.00 WT1 O ATOM 24248 H1 TIP3 8326 -10.600 0.650 4.795 1.00 0.00 WT1 H ATOM 24249 H2 TIP3 8326 -3.356 14.369 -8.717 1.00 0.00 WT1 H ATOM 24250 OH2 TIP3 8327 2.185 -1.906 1.783 1.00 0.00 WT1 O ATOM 24251 H1 TIP3 8327 -22.901 -25.642 15.847 1.00 0.00 WT1 H ATOM 24252 H2 TIP3 8327 -16.925 7.131 -16.523 1.00 0.00 WT1 H ATOM 24253 OH2 TIP3 8328 7.588 6.198 -0.428 1.00 0.00 WT1 O ATOM 24254 H1 TIP3 8328 1.565 18.571 3.894 1.00 0.00 WT1 H ATOM 24255 H2 TIP3 8328 1.099 17.376 5.384 1.00 0.00 WT1 H ATOM 24256 OH2 TIP3 8329 2.314 -3.924 -4.415 1.00 0.00 WT1 O ATOM 24257 H1 TIP3 8329 -2.831 -12.338 -8.640 1.00 0.00 WT1 H ATOM 24258 H2 TIP3 8329 17.080 18.544 8.527 1.00 0.00 WT1 H ATOM 24259 OH2 TIP3 8330 0.995 -1.610 -1.371 1.00 0.00 WT1 O ATOM 24260 H1 TIP3 8330 11.478 12.429 9.732 1.00 0.00 WT1 H ATOM 24261 H2 TIP3 8330 6.305 5.049 4.363 1.00 0.00 WT1 H ATOM 24262 OH2 TIP3 8331 0.586 -4.405 4.705 1.00 0.00 WT1 O ATOM 24263 H1 TIP3 8331 -4.658 3.063 3.274 1.00 0.00 WT1 H ATOM 24264 H2 TIP3 8331 -1.081 1.182 10.248 1.00 0.00 WT1 H ATOM 24265 OH2 TIP3 8332 -2.275 0.250 -5.108 1.00 0.00 WT1 O ATOM 24266 H1 TIP3 8332 9.029 14.780 4.914 1.00 0.00 WT1 H ATOM 24267 H2 TIP3 8332 11.033 -3.396 -7.692 1.00 0.00 WT1 H ATOM 24268 OH2 TIP3 8334 2.279 1.508 2.948 1.00 0.00 WT1 O ATOM 24269 H1 TIP3 8334 -5.150 14.194 -2.985 1.00 0.00 WT1 H ATOM 24270 H2 TIP3 8334 -2.722 -48.473 14.858 1.00 0.00 WT1 H ATOM 24271 OH2 TIP3 8335 -7.506 -2.722 4.009 1.00 0.00 WT1 O ATOM 24272 H1 TIP3 8335 9.301 10.629 2.378 1.00 0.00 WT1 H ATOM 24273 H2 TIP3 8335 -11.472 -2.995 0.175 1.00 0.00 WT1 H ATOM 24274 OH2 TIP3 8336 8.085 2.709 -5.658 1.00 0.00 WT1 O ATOM 24275 H1 TIP3 8336 2.959 5.715 -14.786 1.00 0.00 WT1 H ATOM 24276 H2 TIP3 8336 20.032 11.647 -6.144 1.00 0.00 WT1 H ATOM 24277 OH2 TIP3 8338 3.430 -2.972 -2.540 1.00 0.00 WT1 O ATOM 24278 H1 TIP3 8338 5.766 -7.360 1.100 1.00 0.00 WT1 H ATOM 24279 H2 TIP3 8338 -1.299 2.448 -2.906 1.00 0.00 WT1 H ATOM 24280 OH2 TIP3 8339 -1.888 3.535 0.188 1.00 0.00 WT1 O ATOM 24281 H1 TIP3 8339 -4.129 0.874 -0.654 1.00 0.00 WT1 H ATOM 24282 H2 TIP3 8339 2.618 6.477 3.027 1.00 0.00 WT1 H ATOM 24283 OH2 TIP3 8341 -5.576 2.349 -1.331 1.00 0.00 WT1 O ATOM 24284 H1 TIP3 8341 -7.960 7.045 -1.615 1.00 0.00 WT1 H ATOM 24285 H2 TIP3 8341 -5.125 -0.659 2.508 1.00 0.00 WT1 H ATOM 24286 OH2 TIP3 8342 3.253 -3.081 -3.560 1.00 0.00 WT1 O ATOM 24287 H1 TIP3 8342 1.252 25.491 7.520 1.00 0.00 WT1 H ATOM 24288 H2 TIP3 8342 -23.999 -10.259 11.569 1.00 0.00 WT1 H ATOM 24289 OH2 TIP3 8344 4.325 1.716 -1.041 1.00 0.00 WT1 O ATOM 24290 H1 TIP3 8344 1.084 -4.894 -11.624 1.00 0.00 WT1 H ATOM 24291 H2 TIP3 8344 6.390 11.011 15.261 1.00 0.00 WT1 H ATOM 24292 OH2 TIP3 8345 -0.255 9.191 1.759 1.00 0.00 WT1 O ATOM 24293 H1 TIP3 8345 -8.574 5.710 4.258 1.00 0.00 WT1 H ATOM 24294 H2 TIP3 8345 2.585 2.041 -18.293 1.00 0.00 WT1 H ATOM 24295 OH2 TIP3 8346 -2.726 1.840 -5.383 1.00 0.00 WT1 O ATOM 24296 H1 TIP3 8346 -0.470 8.336 0.998 1.00 0.00 WT1 H ATOM 24297 H2 TIP3 8346 -7.853 -9.451 -11.712 1.00 0.00 WT1 H ATOM 24298 OH2 TIP3 8347 -4.503 9.948 -3.019 1.00 0.00 WT1 O ATOM 24299 H1 TIP3 8347 -5.285 -14.786 4.860 1.00 0.00 WT1 H ATOM 24300 H2 TIP3 8347 20.584 -1.624 -2.386 1.00 0.00 WT1 H ATOM 24301 OH2 TIP3 8348 3.188 -5.998 1.125 1.00 0.00 WT1 O ATOM 24302 H1 TIP3 8348 -3.549 -14.542 -1.864 1.00 0.00 WT1 H ATOM 24303 H2 TIP3 8348 3.610 -5.656 14.144 1.00 0.00 WT1 H ATOM 24304 OH2 TIP3 8349 1.336 1.590 3.481 1.00 0.00 WT1 O ATOM 24305 H1 TIP3 8349 4.862 1.973 13.627 1.00 0.00 WT1 H ATOM 24306 H2 TIP3 8349 -6.065 9.378 -11.742 1.00 0.00 WT1 H ATOM 24307 OH2 TIP3 8350 -0.229 2.871 2.429 1.00 0.00 WT1 O ATOM 24308 H1 TIP3 8350 -18.818 -19.281 8.754 1.00 0.00 WT1 H ATOM 24309 H2 TIP3 8350 -4.142 12.212 -2.612 1.00 0.00 WT1 H ATOM 24310 OH2 TIP3 8351 8.324 0.370 1.474 1.00 0.00 WT1 O ATOM 24311 H1 TIP3 8351 3.884 4.836 10.873 1.00 0.00 WT1 H ATOM 24312 H2 TIP3 8351 5.973 -0.974 5.664 1.00 0.00 WT1 H ATOM 24313 OH2 TIP3 8352 -2.012 2.158 -3.001 1.00 0.00 WT1 O ATOM 24314 H1 TIP3 8352 -10.525 -8.529 26.920 1.00 0.00 WT1 H ATOM 24315 H2 TIP3 8352 -19.836 -9.353 31.454 1.00 0.00 WT1 H ATOM 24316 OH2 TIP3 8353 -6.212 -2.132 3.751 1.00 0.00 WT1 O ATOM 24317 H1 TIP3 8353 -7.482 -9.420 14.138 1.00 0.00 WT1 H ATOM 24318 H2 TIP3 8353 5.863 3.462 5.998 1.00 0.00 WT1 H ATOM 24319 OH2 TIP3 8354 -3.174 -1.367 3.980 1.00 0.00 WT1 O ATOM 24320 H1 TIP3 8354 -5.671 -11.461 -1.283 1.00 0.00 WT1 H ATOM 24321 H2 TIP3 8354 -7.354 -24.410 -2.299 1.00 0.00 WT1 H ATOM 24322 OH2 TIP3 8355 -3.559 6.462 -7.440 1.00 0.00 WT1 O ATOM 24323 H1 TIP3 8355 -13.189 -3.650 4.704 1.00 0.00 WT1 H ATOM 24324 H2 TIP3 8355 11.817 -2.427 -10.547 1.00 0.00 WT1 H ATOM 24325 OH2 TIP3 8356 -3.980 8.995 0.198 1.00 0.00 WT1 O ATOM 24326 H1 TIP3 8356 0.934 12.532 -18.162 1.00 0.00 WT1 H ATOM 24327 H2 TIP3 8356 -3.440 14.804 -14.860 1.00 0.00 WT1 H ATOM 24328 OH2 TIP3 8357 -5.645 -1.714 5.869 1.00 0.00 WT1 O ATOM 24329 H1 TIP3 8357 -0.823 -20.083 15.107 1.00 0.00 WT1 H ATOM 24330 H2 TIP3 8357 -18.520 -1.823 -1.516 1.00 0.00 WT1 H ATOM 24331 OH2 TIP3 8358 -1.922 -2.162 0.213 1.00 0.00 WT1 O ATOM 24332 H1 TIP3 8358 9.851 -2.667 11.734 1.00 0.00 WT1 H ATOM 24333 H2 TIP3 8358 -5.447 8.295 3.999 1.00 0.00 WT1 H ATOM 24334 OH2 TIP3 8359 -4.855 -1.046 1.792 1.00 0.00 WT1 O ATOM 24335 H1 TIP3 8359 -4.590 -1.600 1.479 1.00 0.00 WT1 H ATOM 24336 H2 TIP3 8359 20.428 10.937 6.683 1.00 0.00 WT1 H ATOM 24337 OH2 TIP3 8360 1.442 -4.371 -5.076 1.00 0.00 WT1 O ATOM 24338 H1 TIP3 8360 7.895 -6.116 -20.450 1.00 0.00 WT1 H ATOM 24339 H2 TIP3 8360 -3.686 0.649 -23.716 1.00 0.00 WT1 H ATOM 24340 OH2 TIP3 8361 1.292 5.658 1.635 1.00 0.00 WT1 O ATOM 24341 H1 TIP3 8361 2.176 -0.380 -1.561 1.00 0.00 WT1 H ATOM 24342 H2 TIP3 8361 21.714 -2.948 7.402 1.00 0.00 WT1 H ATOM 24343 OH2 TIP3 8362 -4.317 -1.284 -0.027 1.00 0.00 WT1 O ATOM 24344 H1 TIP3 8362 -6.988 -5.158 12.261 1.00 0.00 WT1 H ATOM 24345 H2 TIP3 8362 6.778 -8.791 -17.079 1.00 0.00 WT1 H ATOM 24346 OH2 TIP3 8363 6.097 -7.512 -1.571 1.00 0.00 WT1 O ATOM 24347 H1 TIP3 8363 19.839 -26.337 -6.709 1.00 0.00 WT1 H ATOM 24348 H2 TIP3 8363 22.609 14.488 2.134 1.00 0.00 WT1 H ATOM 24349 OH2 TIP3 8364 1.914 0.052 6.527 1.00 0.00 WT1 O ATOM 24350 H1 TIP3 8364 -0.231 9.910 -4.922 1.00 0.00 WT1 H ATOM 24351 H2 TIP3 8364 11.563 7.507 16.548 1.00 0.00 WT1 H ATOM 24352 OH2 TIP3 8365 2.410 -4.432 -0.629 1.00 0.00 WT1 O ATOM 24353 H1 TIP3 8365 0.093 -4.467 -1.290 1.00 0.00 WT1 H ATOM 24354 H2 TIP3 8365 26.136 -19.730 -5.154 1.00 0.00 WT1 H ATOM 24355 OH2 TIP3 8366 -4.530 0.277 1.001 1.00 0.00 WT1 O ATOM 24356 H1 TIP3 8366 17.571 0.241 -2.361 1.00 0.00 WT1 H ATOM 24357 H2 TIP3 8366 -12.795 -4.749 -7.356 1.00 0.00 WT1 H ATOM 24358 OH2 TIP3 8367 -1.178 -6.819 -9.403 1.00 0.00 WT1 O ATOM 24359 H1 TIP3 8367 8.962 -0.530 2.725 1.00 0.00 WT1 H ATOM 24360 H2 TIP3 8367 -8.895 16.041 0.989 1.00 0.00 WT1 H ATOM 24361 OH2 TIP3 8368 0.135 2.096 13.569 1.00 0.00 WT1 O ATOM 24362 H1 TIP3 8368 -12.810 10.028 17.903 1.00 0.00 WT1 H ATOM 24363 H2 TIP3 8368 -9.633 -8.649 4.845 1.00 0.00 WT1 H ATOM 24364 OH2 TIP3 8369 -4.504 -2.335 1.786 1.00 0.00 WT1 O ATOM 24365 H1 TIP3 8369 -13.234 -32.507 -13.148 1.00 0.00 WT1 H ATOM 24366 H2 TIP3 8369 10.801 18.984 -8.371 1.00 0.00 WT1 H ATOM 24367 OH2 TIP3 8370 1.420 -6.676 -0.163 1.00 0.00 WT1 O ATOM 24368 H1 TIP3 8370 -26.291 5.804 -25.165 1.00 0.00 WT1 H ATOM 24369 H2 TIP3 8370 -10.552 -4.089 -5.723 1.00 0.00 WT1 H ATOM 24370 OH2 TIP3 8371 0.866 0.734 -5.275 1.00 0.00 WT1 O ATOM 24371 H1 TIP3 8371 1.615 -0.038 -3.373 1.00 0.00 WT1 H ATOM 24372 H2 TIP3 8371 -12.801 -10.610 8.931 1.00 0.00 WT1 H ATOM 24373 OH2 TIP3 8372 6.076 3.443 -4.105 1.00 0.00 WT1 O ATOM 24374 H1 TIP3 8372 -5.453 -6.503 11.178 1.00 0.00 WT1 H ATOM 24375 H2 TIP3 8372 -3.068 8.541 -5.392 1.00 0.00 WT1 H ATOM 24376 OH2 TIP3 8373 1.581 -4.352 6.086 1.00 0.00 WT1 O ATOM 24377 H1 TIP3 8373 5.894 1.503 0.594 1.00 0.00 WT1 H ATOM 24378 H2 TIP3 8373 9.813 -17.949 6.024 1.00 0.00 WT1 H ATOM 24379 OH2 TIP3 8374 3.312 1.991 0.653 1.00 0.00 WT1 O ATOM 24380 H1 TIP3 8374 4.056 -3.358 -4.080 1.00 0.00 WT1 H ATOM 24381 H2 TIP3 8374 19.444 17.899 -9.275 1.00 0.00 WT1 H ATOM 24382 OH2 TIP3 8375 2.497 3.506 -0.319 1.00 0.00 WT1 O ATOM 24383 H1 TIP3 8375 7.501 -0.860 6.734 1.00 0.00 WT1 H ATOM 24384 H2 TIP3 8375 1.527 4.397 -0.802 1.00 0.00 WT1 H ATOM 24385 OH2 TIP3 8376 -3.741 3.057 1.290 1.00 0.00 WT1 O ATOM 24386 H1 TIP3 8376 0.396 0.790 2.473 1.00 0.00 WT1 H ATOM 24387 H2 TIP3 8376 -13.783 -18.543 -0.657 1.00 0.00 WT1 H ATOM 24388 OH2 TIP3 8377 2.718 -4.718 2.174 1.00 0.00 WT1 O ATOM 24389 H1 TIP3 8377 -15.495 -1.024 2.237 1.00 0.00 WT1 H ATOM 24390 H2 TIP3 8377 -3.479 -3.734 1.461 1.00 0.00 WT1 H ATOM 24391 OH2 TIP3 8378 -1.368 2.826 -5.307 1.00 0.00 WT1 O ATOM 24392 H1 TIP3 8378 2.266 16.992 -1.541 1.00 0.00 WT1 H ATOM 24393 H2 TIP3 8378 -1.304 27.987 -1.783 1.00 0.00 WT1 H ATOM 24394 OH2 TIP3 8379 -2.188 -0.203 4.846 1.00 0.00 WT1 O ATOM 24395 H1 TIP3 8379 5.146 -11.442 7.456 1.00 0.00 WT1 H ATOM 24396 H2 TIP3 8379 0.610 -6.329 -20.057 1.00 0.00 WT1 H ATOM 24397 OH2 TIP3 8380 -3.500 -7.723 2.060 1.00 0.00 WT1 O ATOM 24398 H1 TIP3 8380 2.203 -7.264 -4.475 1.00 0.00 WT1 H ATOM 24399 H2 TIP3 8380 -6.122 -9.381 -15.082 1.00 0.00 WT1 H ATOM 24400 OH2 TIP3 8381 -0.027 2.075 -0.918 1.00 0.00 WT1 O ATOM 24401 H1 TIP3 8381 -0.690 14.537 -5.378 1.00 0.00 WT1 H ATOM 24402 H2 TIP3 8381 -0.214 -1.831 0.019 1.00 0.00 WT1 H ATOM 24403 OH2 TIP3 8382 6.528 -0.704 2.929 1.00 0.00 WT1 O ATOM 24404 H1 TIP3 8382 8.623 -1.806 20.385 1.00 0.00 WT1 H ATOM 24405 H2 TIP3 8382 1.856 -11.945 -23.544 1.00 0.00 WT1 H ATOM 24406 OH2 TIP3 8383 -1.592 -1.543 -5.704 1.00 0.00 WT1 O ATOM 24407 H1 TIP3 8383 24.481 15.165 2.214 1.00 0.00 WT1 H ATOM 24408 H2 TIP3 8383 1.443 9.528 -14.838 1.00 0.00 WT1 H ATOM 24409 OH2 TIP3 8384 -2.622 3.272 -0.473 1.00 0.00 WT1 O ATOM 24410 H1 TIP3 8384 -9.047 6.852 5.419 1.00 0.00 WT1 H ATOM 24411 H2 TIP3 8384 -6.230 -2.558 -3.396 1.00 0.00 WT1 H ATOM 24412 OH2 TIP3 8385 -3.237 3.893 3.036 1.00 0.00 WT1 O ATOM 24413 H1 TIP3 8385 24.168 -9.632 -9.334 1.00 0.00 WT1 H ATOM 24414 H2 TIP3 8385 8.337 24.411 27.286 1.00 0.00 WT1 H ATOM 24415 OH2 TIP3 8386 1.273 3.160 1.640 1.00 0.00 WT1 O ATOM 24416 H1 TIP3 8386 11.020 8.928 15.874 1.00 0.00 WT1 H ATOM 24417 H2 TIP3 8386 7.064 -14.873 -0.684 1.00 0.00 WT1 H ATOM 24418 OH2 TIP3 8387 -5.777 1.282 -3.456 1.00 0.00 WT1 O ATOM 24419 H1 TIP3 8387 -1.143 9.092 -8.849 1.00 0.00 WT1 H ATOM 24420 H2 TIP3 8387 -25.563 10.887 5.836 1.00 0.00 WT1 H ATOM 24421 OH2 TIP3 8388 -2.087 1.918 -1.882 1.00 0.00 WT1 O ATOM 24422 H1 TIP3 8388 -23.512 8.620 13.176 1.00 0.00 WT1 H ATOM 24423 H2 TIP3 8388 -17.270 11.100 0.406 1.00 0.00 WT1 H ATOM 24424 OH2 TIP3 8389 -5.033 2.301 5.472 1.00 0.00 WT1 O ATOM 24425 H1 TIP3 8389 -10.440 2.765 2.414 1.00 0.00 WT1 H ATOM 24426 H2 TIP3 8389 15.834 -0.698 15.998 1.00 0.00 WT1 H ATOM 24427 OH2 TIP3 8390 1.495 -2.940 1.950 1.00 0.00 WT1 O ATOM 24428 H1 TIP3 8390 0.572 5.342 0.865 1.00 0.00 WT1 H ATOM 24429 H2 TIP3 8390 1.259 -3.611 -0.938 1.00 0.00 WT1 H ATOM 24430 OH2 TIP3 8391 5.172 4.971 1.672 1.00 0.00 WT1 O ATOM 24431 H1 TIP3 8391 -11.347 -8.957 19.428 1.00 0.00 WT1 H ATOM 24432 H2 TIP3 8391 14.565 0.224 5.379 1.00 0.00 WT1 H ATOM 24433 OH2 TIP3 8392 0.230 1.078 0.633 1.00 0.00 WT1 O ATOM 24434 H1 TIP3 8392 24.317 12.182 21.296 1.00 0.00 WT1 H ATOM 24435 H2 TIP3 8392 35.085 3.632 21.203 1.00 0.00 WT1 H ATOM 24436 OH2 TIP3 8393 -6.301 -6.391 -2.370 1.00 0.00 WT1 O ATOM 24437 H1 TIP3 8393 9.147 2.967 8.765 1.00 0.00 WT1 H ATOM 24438 H2 TIP3 8393 6.301 3.432 4.503 1.00 0.00 WT1 H ATOM 24439 OH2 TIP3 8394 -5.270 1.464 -6.639 1.00 0.00 WT1 O ATOM 24440 H1 TIP3 8394 14.225 -9.830 9.973 1.00 0.00 WT1 H ATOM 24441 H2 TIP3 8394 0.900 -6.564 5.054 1.00 0.00 WT1 H ATOM 24442 OH2 TIP3 8396 0.100 -5.710 0.059 1.00 0.00 WT1 O ATOM 24443 H1 TIP3 8396 -10.139 -5.903 8.784 1.00 0.00 WT1 H ATOM 24444 H2 TIP3 8396 -3.788 -6.261 2.593 1.00 0.00 WT1 H ATOM 24445 OH2 TIP3 8397 -1.500 0.862 0.907 1.00 0.00 WT1 O ATOM 24446 H1 TIP3 8397 18.999 4.917 -0.544 1.00 0.00 WT1 H ATOM 24447 H2 TIP3 8397 -10.844 13.247 -13.905 1.00 0.00 WT1 H ATOM 24448 OH2 TIP3 8398 -0.664 3.294 -4.199 1.00 0.00 WT1 O ATOM 24449 H1 TIP3 8398 -8.602 11.128 -16.314 1.00 0.00 WT1 H ATOM 24450 H2 TIP3 8398 -0.815 3.677 2.931 1.00 0.00 WT1 H ATOM 24451 OH2 TIP3 8399 -0.758 6.427 7.944 1.00 0.00 WT1 O ATOM 24452 H1 TIP3 8399 -4.396 7.069 11.338 1.00 0.00 WT1 H ATOM 24453 H2 TIP3 8399 -4.714 -8.605 5.435 1.00 0.00 WT1 H ATOM 24454 OH2 TIP3 8400 4.519 -6.331 6.772 1.00 0.00 WT1 O ATOM 24455 H1 TIP3 8400 9.589 -0.477 1.806 1.00 0.00 WT1 H ATOM 24456 H2 TIP3 8400 -5.425 -9.932 13.569 1.00 0.00 WT1 H ATOM 24457 OH2 TIP3 8401 8.029 1.448 -1.527 1.00 0.00 WT1 O ATOM 24458 H1 TIP3 8401 12.223 -0.987 5.303 1.00 0.00 WT1 H ATOM 24459 H2 TIP3 8401 3.150 -6.558 -13.460 1.00 0.00 WT1 H ATOM 24460 OH2 TIP3 8402 -1.850 -2.398 0.811 1.00 0.00 WT1 O ATOM 24461 H1 TIP3 8402 12.149 -13.301 -0.683 1.00 0.00 WT1 H ATOM 24462 H2 TIP3 8402 -21.110 -6.831 -11.255 1.00 0.00 WT1 H ATOM 24463 OH2 TIP3 8403 1.904 0.180 -0.746 1.00 0.00 WT1 O ATOM 24464 H1 TIP3 8403 -11.046 -13.005 10.906 1.00 0.00 WT1 H ATOM 24465 H2 TIP3 8403 -10.793 -13.183 10.296 1.00 0.00 WT1 H ATOM 24466 OH2 TIP3 8404 1.731 -3.984 -1.984 1.00 0.00 WT1 O ATOM 24467 H1 TIP3 8404 5.394 10.664 -13.240 1.00 0.00 WT1 H ATOM 24468 H2 TIP3 8404 11.384 -1.446 0.772 1.00 0.00 WT1 H ATOM 24469 OH2 TIP3 8405 -1.071 2.267 -1.477 1.00 0.00 WT1 O ATOM 24470 H1 TIP3 8405 -8.285 -3.308 11.658 1.00 0.00 WT1 H ATOM 24471 H2 TIP3 8405 1.817 9.792 2.919 1.00 0.00 WT1 H ATOM 24472 OH2 TIP3 8406 3.379 1.115 -8.017 1.00 0.00 WT1 O ATOM 24473 H1 TIP3 8406 4.460 -1.074 -3.202 1.00 0.00 WT1 H ATOM 24474 H2 TIP3 8406 -5.349 -3.010 4.805 1.00 0.00 WT1 H ATOM 24475 OH2 TIP3 8407 -0.021 -3.247 -0.377 1.00 0.00 WT1 O ATOM 24476 H1 TIP3 8407 4.367 -7.668 -16.363 1.00 0.00 WT1 H ATOM 24477 H2 TIP3 8407 1.861 -6.811 0.163 1.00 0.00 WT1 H ATOM 24478 OH2 TIP3 8408 -5.012 2.054 2.087 1.00 0.00 WT1 O ATOM 24479 H1 TIP3 8408 4.086 0.414 -12.092 1.00 0.00 WT1 H ATOM 24480 H2 TIP3 8408 -5.131 8.310 16.363 1.00 0.00 WT1 H ATOM 24481 OH2 TIP3 8409 4.306 0.633 -2.966 1.00 0.00 WT1 O ATOM 24482 H1 TIP3 8409 -3.396 1.095 -11.797 1.00 0.00 WT1 H ATOM 24483 H2 TIP3 8409 5.901 24.594 15.532 1.00 0.00 WT1 H ATOM 24484 OH2 TIP3 8410 -2.146 -0.347 6.990 1.00 0.00 WT1 O ATOM 24485 H1 TIP3 8410 -25.909 11.003 9.108 1.00 0.00 WT1 H ATOM 24486 H2 TIP3 8410 -32.973 31.678 2.917 1.00 0.00 WT1 H ATOM 24487 OH2 TIP3 8411 1.421 4.405 0.126 1.00 0.00 WT1 O ATOM 24488 H1 TIP3 8411 28.780 -7.113 -4.096 1.00 0.00 WT1 H ATOM 24489 H2 TIP3 8411 -2.910 2.683 9.796 1.00 0.00 WT1 H ATOM 24490 OH2 TIP3 8412 0.311 -6.438 2.190 1.00 0.00 WT1 O ATOM 24491 H1 TIP3 8412 16.252 -6.907 0.787 1.00 0.00 WT1 H ATOM 24492 H2 TIP3 8412 -6.644 -11.232 -4.936 1.00 0.00 WT1 H ATOM 24493 OH2 TIP3 8413 -0.740 7.386 0.490 1.00 0.00 WT1 O ATOM 24494 H1 TIP3 8413 -13.837 9.968 -19.812 1.00 0.00 WT1 H ATOM 24495 H2 TIP3 8413 17.814 -4.001 27.646 1.00 0.00 WT1 H ATOM 24496 OH2 TIP3 8414 8.901 9.031 1.578 1.00 0.00 WT1 O ATOM 24497 H1 TIP3 8414 -17.141 8.490 -28.823 1.00 0.00 WT1 H ATOM 24498 H2 TIP3 8414 5.197 -0.735 7.491 1.00 0.00 WT1 H ATOM 24499 OH2 TIP3 8415 4.569 -3.298 0.403 1.00 0.00 WT1 O ATOM 24500 H1 TIP3 8415 9.362 -1.858 7.505 1.00 0.00 WT1 H ATOM 24501 H2 TIP3 8415 6.750 -2.761 3.327 1.00 0.00 WT1 H ATOM 24502 OH2 TIP3 8416 -1.021 4.418 3.075 1.00 0.00 WT1 O ATOM 24503 H1 TIP3 8416 -3.199 -19.145 9.599 1.00 0.00 WT1 H ATOM 24504 H2 TIP3 8416 14.037 -1.434 2.188 1.00 0.00 WT1 H ATOM 24505 OH2 TIP3 8417 2.188 2.030 3.957 1.00 0.00 WT1 O ATOM 24506 H1 TIP3 8417 -21.111 16.300 8.902 1.00 0.00 WT1 H ATOM 24507 H2 TIP3 8417 10.103 25.529 -3.718 1.00 0.00 WT1 H ATOM 24508 OH2 TIP3 8418 -2.903 -1.705 3.976 1.00 0.00 WT1 O ATOM 24509 H1 TIP3 8418 -4.322 10.645 -4.110 1.00 0.00 WT1 H ATOM 24510 H2 TIP3 8418 -0.287 -0.952 6.561 1.00 0.00 WT1 H ATOM 24511 OH2 TIP3 8419 -0.672 -0.917 0.850 1.00 0.00 WT1 O ATOM 24512 H1 TIP3 8419 3.619 2.114 -0.058 1.00 0.00 WT1 H ATOM 24513 H2 TIP3 8419 15.977 3.836 2.965 1.00 0.00 WT1 H ATOM 24514 OH2 TIP3 8420 1.753 -1.026 -0.199 1.00 0.00 WT1 O ATOM 24515 H1 TIP3 8420 10.751 4.439 1.401 1.00 0.00 WT1 H ATOM 24516 H2 TIP3 8420 -0.047 5.395 -1.676 1.00 0.00 WT1 H ATOM 24517 OH2 TIP3 8422 0.903 0.192 0.630 1.00 0.00 WT1 O ATOM 24518 H1 TIP3 8422 8.680 -17.461 3.771 1.00 0.00 WT1 H ATOM 24519 H2 TIP3 8422 1.779 0.094 -4.607 1.00 0.00 WT1 H ATOM 24520 OH2 TIP3 8423 0.435 -0.396 -2.364 1.00 0.00 WT1 O ATOM 24521 H1 TIP3 8423 6.274 -6.407 9.417 1.00 0.00 WT1 H ATOM 24522 H2 TIP3 8423 1.087 3.026 -2.904 1.00 0.00 WT1 H ATOM 24523 OH2 TIP3 8424 0.714 -3.374 -3.668 1.00 0.00 WT1 O ATOM 24524 H1 TIP3 8424 -6.567 -11.767 0.957 1.00 0.00 WT1 H ATOM 24525 H2 TIP3 8424 5.449 -9.563 -7.832 1.00 0.00 WT1 H ATOM 24526 OH2 TIP3 8425 -0.265 -2.181 -1.544 1.00 0.00 WT1 O ATOM 24527 H1 TIP3 8425 -6.443 1.045 13.156 1.00 0.00 WT1 H ATOM 24528 H2 TIP3 8425 2.893 -4.154 -8.462 1.00 0.00 WT1 H ATOM 24529 OH2 TIP3 8426 1.017 5.736 -0.028 1.00 0.00 WT1 O ATOM 24530 H1 TIP3 8426 1.918 -1.954 -1.581 1.00 0.00 WT1 H ATOM 24531 H2 TIP3 8426 13.684 11.950 12.974 1.00 0.00 WT1 H ATOM 24532 OH2 TIP3 8427 -7.184 4.115 4.398 1.00 0.00 WT1 O ATOM 24533 H1 TIP3 8427 -7.623 8.113 11.740 1.00 0.00 WT1 H ATOM 24534 H2 TIP3 8427 -4.178 0.923 6.257 1.00 0.00 WT1 H ATOM 24535 OH2 TIP3 8428 3.173 -0.213 5.435 1.00 0.00 WT1 O ATOM 24536 H1 TIP3 8428 1.000 -15.428 9.628 1.00 0.00 WT1 H ATOM 24537 H2 TIP3 8428 22.882 -12.120 11.409 1.00 0.00 WT1 H ATOM 24538 OH2 TIP3 8429 1.065 2.306 0.126 1.00 0.00 WT1 O ATOM 24539 H1 TIP3 8429 3.347 9.997 -1.829 1.00 0.00 WT1 H ATOM 24540 H2 TIP3 8429 -10.841 16.210 -6.244 1.00 0.00 WT1 H ATOM 24541 OH2 TIP3 8430 -0.594 3.928 3.945 1.00 0.00 WT1 O ATOM 24542 H1 TIP3 8430 -0.367 3.379 -0.412 1.00 0.00 WT1 H ATOM 24543 H2 TIP3 8430 -4.608 2.057 -3.914 1.00 0.00 WT1 H ATOM 24544 OH2 TIP3 8431 -0.591 1.492 -2.735 1.00 0.00 WT1 O ATOM 24545 H1 TIP3 8431 2.436 8.244 0.126 1.00 0.00 WT1 H ATOM 24546 H2 TIP3 8431 -1.237 -0.555 -2.603 1.00 0.00 WT1 H ATOM 24547 OH2 TIP3 8432 -3.458 -1.618 -0.447 1.00 0.00 WT1 O ATOM 24548 H1 TIP3 8432 -1.051 -2.289 2.982 1.00 0.00 WT1 H ATOM 24549 H2 TIP3 8432 33.118 -4.519 14.092 1.00 0.00 WT1 H ATOM 24550 OH2 TIP3 8433 -3.827 0.987 4.259 1.00 0.00 WT1 O ATOM 24551 H1 TIP3 8433 2.593 -10.271 -2.742 1.00 0.00 WT1 H ATOM 24552 H2 TIP3 8433 -2.897 11.671 10.437 1.00 0.00 WT1 H ATOM 24553 OH2 TIP3 8434 4.577 5.702 -0.333 1.00 0.00 WT1 O ATOM 24554 H1 TIP3 8434 2.594 -1.124 -7.588 1.00 0.00 WT1 H ATOM 24555 H2 TIP3 8434 8.673 1.207 7.649 1.00 0.00 WT1 H ATOM 24556 OH2 TIP3 8435 -2.148 2.307 0.203 1.00 0.00 WT1 O ATOM 24557 H1 TIP3 8435 -9.120 -10.555 13.291 1.00 0.00 WT1 H ATOM 24558 H2 TIP3 8435 -10.852 0.432 -14.519 1.00 0.00 WT1 H ATOM 24559 OH2 TIP3 8436 6.815 -4.887 10.129 1.00 0.00 WT1 O ATOM 24560 H1 TIP3 8436 1.413 -14.841 1.222 1.00 0.00 WT1 H ATOM 24561 H2 TIP3 8436 9.606 -17.340 -2.782 1.00 0.00 WT1 H ATOM 24562 OH2 TIP3 8437 3.844 -3.400 -2.938 1.00 0.00 WT1 O ATOM 24563 H1 TIP3 8437 -0.172 -0.701 6.846 1.00 0.00 WT1 H ATOM 24564 H2 TIP3 8437 10.328 -8.850 -15.543 1.00 0.00 WT1 H ATOM 24565 OH2 TIP3 8438 3.064 -5.956 -3.170 1.00 0.00 WT1 O ATOM 24566 H1 TIP3 8438 3.472 -11.388 -5.879 1.00 0.00 WT1 H ATOM 24567 H2 TIP3 8438 -9.007 13.142 9.933 1.00 0.00 WT1 H ATOM 24568 OH2 TIP3 8439 -1.228 0.061 -5.663 1.00 0.00 WT1 O ATOM 24569 H1 TIP3 8439 20.988 0.300 0.766 1.00 0.00 WT1 H ATOM 24570 H2 TIP3 8439 1.499 18.010 -18.067 1.00 0.00 WT1 H ATOM 24571 OH2 TIP3 8441 -1.413 0.563 1.495 1.00 0.00 WT1 O ATOM 24572 H1 TIP3 8441 -4.031 1.510 -5.702 1.00 0.00 WT1 H ATOM 24573 H2 TIP3 8441 -4.001 11.986 18.113 1.00 0.00 WT1 H ATOM 24574 OH2 TIP3 8442 -1.909 -5.494 2.467 1.00 0.00 WT1 O ATOM 24575 H1 TIP3 8442 2.240 -16.657 -3.320 1.00 0.00 WT1 H ATOM 24576 H2 TIP3 8442 -8.194 21.735 12.626 1.00 0.00 WT1 H ATOM 24577 OH2 TIP3 8443 -0.159 -3.180 11.890 1.00 0.00 WT1 O ATOM 24578 H1 TIP3 8443 -13.865 4.352 3.033 1.00 0.00 WT1 H ATOM 24579 H2 TIP3 8443 22.797 -7.813 -4.948 1.00 0.00 WT1 H ATOM 24580 OH2 TIP3 8444 4.667 0.139 6.029 1.00 0.00 WT1 O ATOM 24581 H1 TIP3 8444 -8.702 -6.950 -13.038 1.00 0.00 WT1 H ATOM 24582 H2 TIP3 8444 -3.482 -3.843 3.224 1.00 0.00 WT1 H ATOM 24583 OH2 TIP3 8445 -1.492 -7.576 0.001 1.00 0.00 WT1 O ATOM 24584 H1 TIP3 8445 14.889 -18.789 -7.037 1.00 0.00 WT1 H ATOM 24585 H2 TIP3 8445 4.955 -17.646 -0.754 1.00 0.00 WT1 H ATOM 24586 OH2 TIP3 8446 0.129 -3.564 6.661 1.00 0.00 WT1 O ATOM 24587 H1 TIP3 8446 17.695 -0.674 -1.020 1.00 0.00 WT1 H ATOM 24588 H2 TIP3 8446 -24.755 -20.519 5.762 1.00 0.00 WT1 H ATOM 24589 OH2 TIP3 8448 0.581 2.854 0.419 1.00 0.00 WT1 O ATOM 24590 H1 TIP3 8448 3.670 -3.675 -3.704 1.00 0.00 WT1 H ATOM 24591 H2 TIP3 8448 -0.660 0.510 -6.889 1.00 0.00 WT1 H ATOM 24592 OH2 TIP3 8450 -0.028 1.243 -8.526 1.00 0.00 WT1 O ATOM 24593 H1 TIP3 8450 9.019 5.475 -17.789 1.00 0.00 WT1 H ATOM 24594 H2 TIP3 8450 -35.405 -2.318 -21.509 1.00 0.00 WT1 H ATOM 24595 OH2 TIP3 8451 2.661 4.953 1.392 1.00 0.00 WT1 O ATOM 24596 H1 TIP3 8451 -10.694 -7.178 -17.661 1.00 0.00 WT1 H ATOM 24597 H2 TIP3 8451 10.028 10.986 11.746 1.00 0.00 WT1 H ATOM 24598 OH2 TIP3 8453 -2.558 3.908 0.226 1.00 0.00 WT1 O ATOM 24599 H1 TIP3 8453 6.352 -7.244 1.279 1.00 0.00 WT1 H ATOM 24600 H2 TIP3 8453 -7.875 5.919 -1.774 1.00 0.00 WT1 H ATOM 24601 OH2 TIP3 8454 -0.750 2.902 -5.587 1.00 0.00 WT1 O ATOM 24602 H1 TIP3 8454 -1.486 -5.994 -5.779 1.00 0.00 WT1 H ATOM 24603 H2 TIP3 8454 9.043 6.111 -9.502 1.00 0.00 WT1 H ATOM 24604 OH2 TIP3 8455 -3.255 3.538 1.233 1.00 0.00 WT1 O ATOM 24605 H1 TIP3 8455 -5.160 -10.246 -2.532 1.00 0.00 WT1 H ATOM 24606 H2 TIP3 8455 -11.600 10.327 19.853 1.00 0.00 WT1 H ATOM 24607 OH2 TIP3 8456 2.314 2.508 -3.260 1.00 0.00 WT1 O ATOM 24608 H1 TIP3 8456 -6.588 10.646 29.622 1.00 0.00 WT1 H ATOM 24609 H2 TIP3 8456 2.529 -2.600 14.117 1.00 0.00 WT1 H ATOM 24610 OH2 TIP3 8457 -1.472 2.958 4.262 1.00 0.00 WT1 O ATOM 24611 H1 TIP3 8457 2.488 -5.412 -12.264 1.00 0.00 WT1 H ATOM 24612 H2 TIP3 8457 4.757 7.309 -2.698 1.00 0.00 WT1 H ATOM 24613 OH2 TIP3 8458 5.206 1.623 6.148 1.00 0.00 WT1 O ATOM 24614 H1 TIP3 8458 -0.719 -4.480 12.707 1.00 0.00 WT1 H ATOM 24615 H2 TIP3 8458 21.233 -4.007 3.103 1.00 0.00 WT1 H ATOM 24616 OH2 TIP3 8459 -0.210 3.246 -4.133 1.00 0.00 WT1 O ATOM 24617 H1 TIP3 8459 5.530 9.416 -7.449 1.00 0.00 WT1 H ATOM 24618 H2 TIP3 8459 3.093 -1.680 -5.092 1.00 0.00 WT1 H ATOM 24619 OH2 TIP3 8460 -2.941 1.473 -6.364 1.00 0.00 WT1 O ATOM 24620 H1 TIP3 8460 6.226 -1.264 -19.937 1.00 0.00 WT1 H ATOM 24621 H2 TIP3 8460 0.642 2.058 -9.908 1.00 0.00 WT1 H ATOM 24622 OH2 TIP3 8461 -3.768 -3.080 9.398 1.00 0.00 WT1 O ATOM 24623 H1 TIP3 8461 -15.317 5.915 4.200 1.00 0.00 WT1 H ATOM 24624 H2 TIP3 8461 2.007 -0.166 -9.675 1.00 0.00 WT1 H ATOM 24625 OH2 TIP3 8462 3.578 -1.464 -6.011 1.00 0.00 WT1 O ATOM 24626 H1 TIP3 8462 11.166 6.602 -10.996 1.00 0.00 WT1 H ATOM 24627 H2 TIP3 8462 9.091 -5.386 -12.969 1.00 0.00 WT1 H ATOM 24628 OH2 TIP3 8463 -2.461 0.678 3.154 1.00 0.00 WT1 O ATOM 24629 H1 TIP3 8463 -7.338 -2.071 -0.847 1.00 0.00 WT1 H ATOM 24630 H2 TIP3 8463 11.055 5.251 10.406 1.00 0.00 WT1 H ATOM 24631 OH2 TIP3 8464 -3.296 1.820 2.049 1.00 0.00 WT1 O ATOM 24632 H1 TIP3 8464 7.039 6.987 3.271 1.00 0.00 WT1 H ATOM 24633 H2 TIP3 8464 -3.853 3.347 6.249 1.00 0.00 WT1 H ATOM 24634 OH2 TIP3 8465 8.387 -1.003 -5.566 1.00 0.00 WT1 O ATOM 24635 H1 TIP3 8465 0.609 -9.709 -12.299 1.00 0.00 WT1 H ATOM 24636 H2 TIP3 8465 0.974 6.957 -23.871 1.00 0.00 WT1 H ATOM 24637 OH2 TIP3 8466 -0.388 5.309 -1.392 1.00 0.00 WT1 O ATOM 24638 H1 TIP3 8466 5.591 -12.929 -5.556 1.00 0.00 WT1 H ATOM 24639 H2 TIP3 8466 9.432 -24.051 -9.279 1.00 0.00 WT1 H ATOM 24640 OH2 TIP3 8467 -6.780 5.049 -2.238 1.00 0.00 WT1 O ATOM 24641 H1 TIP3 8467 -3.930 14.078 1.548 1.00 0.00 WT1 H ATOM 24642 H2 TIP3 8467 -1.884 -6.148 26.472 1.00 0.00 WT1 H ATOM 24643 OH2 TIP3 8468 -0.946 1.141 9.918 1.00 0.00 WT1 O ATOM 24644 H1 TIP3 8468 15.664 12.715 9.433 1.00 0.00 WT1 H ATOM 24645 H2 TIP3 8468 -18.147 11.400 13.526 1.00 0.00 WT1 H ATOM 24646 OH2 TIP3 8469 -1.046 7.330 -2.481 1.00 0.00 WT1 O ATOM 24647 H1 TIP3 8469 -8.884 -5.198 1.153 1.00 0.00 WT1 H ATOM 24648 H2 TIP3 8469 2.978 19.278 -19.677 1.00 0.00 WT1 H ATOM 24649 OH2 TIP3 8470 -6.431 3.084 5.683 1.00 0.00 WT1 O ATOM 24650 H1 TIP3 8470 20.311 -4.170 0.084 1.00 0.00 WT1 H ATOM 24651 H2 TIP3 8470 -13.802 11.377 2.716 1.00 0.00 WT1 H ATOM 24652 OH2 TIP3 8471 2.384 -1.473 2.208 1.00 0.00 WT1 O ATOM 24653 H1 TIP3 8471 11.113 0.993 -9.588 1.00 0.00 WT1 H ATOM 24654 H2 TIP3 8471 11.724 -15.247 -0.975 1.00 0.00 WT1 H ATOM 24655 OH2 TIP3 8472 -1.576 1.607 13.082 1.00 0.00 WT1 O ATOM 24656 H1 TIP3 8472 5.216 10.757 39.028 1.00 0.00 WT1 H ATOM 24657 H2 TIP3 8472 -35.174 -6.590 16.140 1.00 0.00 WT1 H ATOM 24658 OH2 TIP3 8473 1.403 -0.287 4.949 1.00 0.00 WT1 O ATOM 24659 H1 TIP3 8473 6.525 3.614 -0.838 1.00 0.00 WT1 H ATOM 24660 H2 TIP3 8473 3.848 16.901 -3.900 1.00 0.00 WT1 H ATOM 24661 OH2 TIP3 8474 3.812 9.529 -2.415 1.00 0.00 WT1 O ATOM 24662 H1 TIP3 8474 5.423 19.371 13.967 1.00 0.00 WT1 H ATOM 24663 H2 TIP3 8474 10.994 20.653 0.270 1.00 0.00 WT1 H ATOM 24664 OH2 TIP3 8475 -4.691 2.802 4.858 1.00 0.00 WT1 O ATOM 24665 H1 TIP3 8475 1.114 4.967 3.669 1.00 0.00 WT1 H ATOM 24666 H2 TIP3 8475 -3.137 -5.773 13.856 1.00 0.00 WT1 H ATOM 24667 OH2 TIP3 8476 -7.923 7.487 5.434 1.00 0.00 WT1 O ATOM 24668 H1 TIP3 8476 -3.182 5.559 8.553 1.00 0.00 WT1 H ATOM 24669 H2 TIP3 8476 -13.173 12.636 7.842 1.00 0.00 WT1 H ATOM 24670 OH2 TIP3 8477 -3.190 8.427 -1.122 1.00 0.00 WT1 O ATOM 24671 H1 TIP3 8477 -1.103 7.911 -1.543 1.00 0.00 WT1 H ATOM 24672 H2 TIP3 8477 -6.318 4.812 -0.282 1.00 0.00 WT1 H ATOM 24673 OH2 TIP3 8478 1.114 1.648 0.243 1.00 0.00 WT1 O ATOM 24674 H1 TIP3 8478 -4.130 -17.276 -5.964 1.00 0.00 WT1 H ATOM 24675 H2 TIP3 8478 17.942 31.444 -26.649 1.00 0.00 WT1 H ATOM 24676 OH2 TIP3 8479 1.749 -0.164 -2.237 1.00 0.00 WT1 O ATOM 24677 H1 TIP3 8479 7.936 6.266 8.816 1.00 0.00 WT1 H ATOM 24678 H2 TIP3 8479 7.103 10.741 -2.229 1.00 0.00 WT1 H ATOM 24679 OH2 TIP3 8480 2.670 1.781 -2.917 1.00 0.00 WT1 O ATOM 24680 H1 TIP3 8480 -2.317 -0.986 -4.460 1.00 0.00 WT1 H ATOM 24681 H2 TIP3 8480 -7.158 13.366 -21.329 1.00 0.00 WT1 H ATOM 24682 OH2 TIP3 8481 3.265 -6.847 2.725 1.00 0.00 WT1 O ATOM 24683 H1 TIP3 8481 9.308 -6.119 -8.329 1.00 0.00 WT1 H ATOM 24684 H2 TIP3 8481 -1.881 -14.341 0.219 1.00 0.00 WT1 H ATOM 24685 OH2 TIP3 8482 4.642 1.899 -1.839 1.00 0.00 WT1 O ATOM 24686 H1 TIP3 8482 14.480 0.965 -11.216 1.00 0.00 WT1 H ATOM 24687 H2 TIP3 8482 -16.727 7.200 19.680 1.00 0.00 WT1 H ATOM 24688 OH2 TIP3 8483 -7.558 1.200 -3.727 1.00 0.00 WT1 O ATOM 24689 H1 TIP3 8483 16.054 0.530 -34.790 1.00 0.00 WT1 H ATOM 24690 H2 TIP3 8483 -7.985 -11.702 -9.967 1.00 0.00 WT1 H ATOM 24691 OH2 TIP3 8484 -0.898 4.693 -0.119 1.00 0.00 WT1 O ATOM 24692 H1 TIP3 8484 9.313 4.004 -6.761 1.00 0.00 WT1 H ATOM 24693 H2 TIP3 8484 24.002 6.169 -1.407 1.00 0.00 WT1 H ATOM 24694 OH2 TIP3 8485 2.981 -1.673 -1.120 1.00 0.00 WT1 O ATOM 24695 H1 TIP3 8485 3.263 -4.375 -2.865 1.00 0.00 WT1 H ATOM 24696 H2 TIP3 8485 15.690 -10.163 10.719 1.00 0.00 WT1 H ATOM 24697 OH2 TIP3 8486 1.992 0.173 3.331 1.00 0.00 WT1 O ATOM 24698 H1 TIP3 8486 2.216 -12.714 -1.347 1.00 0.00 WT1 H ATOM 24699 H2 TIP3 8486 7.765 11.136 -2.180 1.00 0.00 WT1 H ATOM 24700 OH2 TIP3 8487 1.200 -2.776 2.396 1.00 0.00 WT1 O ATOM 24701 H1 TIP3 8487 -12.493 -14.024 -8.524 1.00 0.00 WT1 H ATOM 24702 H2 TIP3 8487 -2.783 8.262 17.631 1.00 0.00 WT1 H ATOM 24703 OH2 TIP3 8488 -3.078 4.307 -0.383 1.00 0.00 WT1 O ATOM 24704 H1 TIP3 8488 -8.616 -1.957 -8.234 1.00 0.00 WT1 H ATOM 24705 H2 TIP3 8488 -6.636 21.438 -8.269 1.00 0.00 WT1 H ATOM 24706 OH2 TIP3 8489 6.340 -3.769 -2.187 1.00 0.00 WT1 O ATOM 24707 H1 TIP3 8489 5.309 -8.184 15.094 1.00 0.00 WT1 H ATOM 24708 H2 TIP3 8489 0.759 -15.132 15.462 1.00 0.00 WT1 H ATOM 24709 OH2 TIP3 8490 -0.552 -3.517 -2.151 1.00 0.00 WT1 O ATOM 24710 H1 TIP3 8490 -9.528 4.893 -20.482 1.00 0.00 WT1 H ATOM 24711 H2 TIP3 8490 -7.558 1.466 -13.368 1.00 0.00 WT1 H ATOM 24712 OH2 TIP3 8491 -0.389 -2.005 1.647 1.00 0.00 WT1 O ATOM 24713 H1 TIP3 8491 -5.838 1.414 -0.995 1.00 0.00 WT1 H ATOM 24714 H2 TIP3 8491 -4.133 -3.678 -2.588 1.00 0.00 WT1 H ATOM 24715 OH2 TIP3 8492 -0.939 -3.280 4.107 1.00 0.00 WT1 O ATOM 24716 H1 TIP3 8492 20.861 15.686 -4.405 1.00 0.00 WT1 H ATOM 24717 H2 TIP3 8492 -35.405 0.860 -16.322 1.00 0.00 WT1 H ATOM 24718 OH2 TIP3 8493 0.115 11.392 -1.816 1.00 0.00 WT1 O ATOM 24719 H1 TIP3 8493 6.418 4.477 -12.847 1.00 0.00 WT1 H ATOM 24720 H2 TIP3 8493 -12.203 7.487 1.711 1.00 0.00 WT1 H ATOM 24721 OH2 TIP3 8494 -1.912 4.750 -0.745 1.00 0.00 WT1 O ATOM 24722 H1 TIP3 8494 10.555 8.864 12.160 1.00 0.00 WT1 H ATOM 24723 H2 TIP3 8494 15.210 11.202 18.958 1.00 0.00 WT1 H ATOM 24724 OH2 TIP3 8495 4.180 -0.311 1.037 1.00 0.00 WT1 O ATOM 24725 H1 TIP3 8495 -0.544 -0.118 -4.413 1.00 0.00 WT1 H ATOM 24726 H2 TIP3 8495 4.268 -0.469 0.830 1.00 0.00 WT1 H ATOM 24727 OH2 TIP3 8496 5.693 7.792 -0.325 1.00 0.00 WT1 O ATOM 24728 H1 TIP3 8496 16.841 -5.764 10.272 1.00 0.00 WT1 H ATOM 24729 H2 TIP3 8496 15.889 -6.553 -20.966 1.00 0.00 WT1 H ATOM 24730 OH2 TIP3 8497 8.482 3.386 1.946 1.00 0.00 WT1 O ATOM 24731 H1 TIP3 8497 0.673 6.778 4.929 1.00 0.00 WT1 H ATOM 24732 H2 TIP3 8497 3.296 -2.806 -2.034 1.00 0.00 WT1 H ATOM 24733 OH2 TIP3 8498 -1.321 -9.918 -1.585 1.00 0.00 WT1 O ATOM 24734 H1 TIP3 8498 21.436 4.977 -5.648 1.00 0.00 WT1 H ATOM 24735 H2 TIP3 8498 -5.284 22.391 14.723 1.00 0.00 WT1 H ATOM 24736 OH2 TIP3 8499 2.078 0.766 -6.806 1.00 0.00 WT1 O ATOM 24737 H1 TIP3 8499 1.448 1.126 6.647 1.00 0.00 WT1 H ATOM 24738 H2 TIP3 8499 -5.163 24.144 -21.362 1.00 0.00 WT1 H ATOM 24739 OH2 TIP3 8501 -0.625 -10.617 -0.242 1.00 0.00 WT1 O ATOM 24740 H1 TIP3 8501 -7.511 -13.074 3.793 1.00 0.00 WT1 H ATOM 24741 H2 TIP3 8501 -5.587 -5.582 14.502 1.00 0.00 WT1 H ATOM 24742 OH2 TIP3 8502 2.086 4.368 1.730 1.00 0.00 WT1 O ATOM 24743 H1 TIP3 8502 9.054 -2.471 -9.713 1.00 0.00 WT1 H ATOM 24744 H2 TIP3 8502 -0.312 8.338 -5.167 1.00 0.00 WT1 H ATOM 24745 OH2 TIP3 8503 0.644 -2.225 -2.037 1.00 0.00 WT1 O ATOM 24746 H1 TIP3 8503 13.491 -9.800 -14.330 1.00 0.00 WT1 H ATOM 24747 H2 TIP3 8503 -13.483 -9.467 -8.856 1.00 0.00 WT1 H ATOM 24748 OH2 TIP3 8504 -0.080 3.884 -6.371 1.00 0.00 WT1 O ATOM 24749 H1 TIP3 8504 -13.445 -1.626 6.984 1.00 0.00 WT1 H ATOM 24750 H2 TIP3 8504 9.395 1.046 1.603 1.00 0.00 WT1 H ATOM 24751 OH2 TIP3 8505 0.957 5.906 -0.040 1.00 0.00 WT1 O ATOM 24752 H1 TIP3 8505 -1.536 -15.448 -2.493 1.00 0.00 WT1 H ATOM 24753 H2 TIP3 8505 0.931 3.363 -0.137 1.00 0.00 WT1 H ATOM 24754 OH2 TIP3 8507 -0.619 4.179 4.827 1.00 0.00 WT1 O ATOM 24755 H1 TIP3 8507 -0.685 28.384 18.157 1.00 0.00 WT1 H ATOM 24756 H2 TIP3 8507 9.881 3.358 30.098 1.00 0.00 WT1 H ATOM 24757 OH2 TIP3 8508 -3.258 2.187 -1.134 1.00 0.00 WT1 O ATOM 24758 H1 TIP3 8508 -4.183 -9.895 -16.423 1.00 0.00 WT1 H ATOM 24759 H2 TIP3 8508 -4.636 -20.298 -24.550 1.00 0.00 WT1 H ATOM 24760 OH2 TIP3 8509 -5.673 3.154 -2.380 1.00 0.00 WT1 O ATOM 24761 H1 TIP3 8509 -19.758 -12.696 2.359 1.00 0.00 WT1 H ATOM 24762 H2 TIP3 8509 -26.465 -24.804 13.830 1.00 0.00 WT1 H ATOM 24763 OH2 TIP3 8510 -0.873 -3.375 -0.290 1.00 0.00 WT1 O ATOM 24764 H1 TIP3 8510 -26.009 -5.494 11.025 1.00 0.00 WT1 H ATOM 24765 H2 TIP3 8510 7.891 -17.331 -26.469 1.00 0.00 WT1 H ATOM 24766 OH2 TIP3 8511 -2.380 -0.987 -1.052 1.00 0.00 WT1 O ATOM 24767 H1 TIP3 8511 27.007 1.964 0.663 1.00 0.00 WT1 H ATOM 24768 H2 TIP3 8511 -35.215 2.276 -0.717 1.00 0.00 WT1 H ATOM 24769 OH2 TIP3 8512 2.763 -4.566 -0.447 1.00 0.00 WT1 O ATOM 24770 H1 TIP3 8512 10.745 8.076 9.744 1.00 0.00 WT1 H ATOM 24771 H2 TIP3 8512 -2.935 -12.585 -7.829 1.00 0.00 WT1 H ATOM 24772 OH2 TIP3 8513 1.094 1.245 2.154 1.00 0.00 WT1 O ATOM 24773 H1 TIP3 8513 -0.824 -17.772 1.008 1.00 0.00 WT1 H ATOM 24774 H2 TIP3 8513 10.312 -5.887 5.212 1.00 0.00 WT1 H ATOM 24775 OH2 TIP3 8514 4.240 2.346 2.926 1.00 0.00 WT1 O ATOM 24776 H1 TIP3 8514 4.151 -16.040 7.294 1.00 0.00 WT1 H ATOM 24777 H2 TIP3 8514 3.279 3.741 -14.554 1.00 0.00 WT1 H ATOM 24778 OH2 TIP3 8515 -1.074 -2.743 -3.736 1.00 0.00 WT1 O ATOM 24779 H1 TIP3 8515 10.429 -30.306 -33.200 1.00 0.00 WT1 H ATOM 24780 H2 TIP3 8515 -11.093 -6.213 -5.377 1.00 0.00 WT1 H ATOM 24781 OH2 TIP3 8516 3.778 -0.450 6.973 1.00 0.00 WT1 O ATOM 24782 H1 TIP3 8516 3.495 -1.213 5.979 1.00 0.00 WT1 H ATOM 24783 H2 TIP3 8516 -6.116 19.064 5.428 1.00 0.00 WT1 H ATOM 24784 OH2 TIP3 8517 -0.993 0.449 3.504 1.00 0.00 WT1 O ATOM 24785 H1 TIP3 8517 0.260 7.054 13.042 1.00 0.00 WT1 H ATOM 24786 H2 TIP3 8517 -1.705 -2.261 0.300 1.00 0.00 WT1 H ATOM 24787 OH2 TIP3 8518 -4.735 4.470 1.517 1.00 0.00 WT1 O ATOM 24788 H1 TIP3 8518 -12.339 7.692 2.528 1.00 0.00 WT1 H ATOM 24789 H2 TIP3 8518 -12.396 13.881 -1.408 1.00 0.00 WT1 H ATOM 24790 OH2 TIP3 8519 -1.461 3.497 -1.375 1.00 0.00 WT1 O ATOM 24791 H1 TIP3 8519 7.149 9.149 -15.431 1.00 0.00 WT1 H ATOM 24792 H2 TIP3 8519 -9.661 -10.595 -7.324 1.00 0.00 WT1 H ATOM 24793 OH2 TIP3 8520 2.985 6.889 -4.123 1.00 0.00 WT1 O ATOM 24794 H1 TIP3 8520 7.566 -1.435 -8.578 1.00 0.00 WT1 H ATOM 24795 H2 TIP3 8520 3.918 10.273 -5.440 1.00 0.00 WT1 H ATOM 24796 OH2 TIP3 8521 -0.101 -9.496 -1.262 1.00 0.00 WT1 O ATOM 24797 H1 TIP3 8521 -12.624 -14.033 -25.958 1.00 0.00 WT1 H ATOM 24798 H2 TIP3 8521 -15.450 -9.380 -12.250 1.00 0.00 WT1 H ATOM 24799 OH2 TIP3 8522 0.418 -2.202 2.108 1.00 0.00 WT1 O ATOM 24800 H1 TIP3 8522 2.958 -3.094 6.865 1.00 0.00 WT1 H ATOM 24801 H2 TIP3 8522 -3.538 -19.109 -0.358 1.00 0.00 WT1 H ATOM 24802 OH2 TIP3 8523 3.261 -6.488 3.847 1.00 0.00 WT1 O ATOM 24803 H1 TIP3 8523 6.164 -8.104 1.630 1.00 0.00 WT1 H ATOM 24804 H2 TIP3 8523 5.418 -7.647 -0.082 1.00 0.00 WT1 H ATOM 24805 OH2 TIP3 8524 -2.331 1.497 2.350 1.00 0.00 WT1 O ATOM 24806 H1 TIP3 8524 -3.390 -7.167 24.312 1.00 0.00 WT1 H ATOM 24807 H2 TIP3 8524 -3.692 -17.651 4.161 1.00 0.00 WT1 H ATOM 24808 OH2 TIP3 8525 2.064 -1.771 -4.676 1.00 0.00 WT1 O ATOM 24809 H1 TIP3 8525 14.269 -13.482 -5.124 1.00 0.00 WT1 H ATOM 24810 H2 TIP3 8525 -5.959 -2.304 10.222 1.00 0.00 WT1 H ATOM 24811 OH2 TIP3 8526 1.442 -3.072 3.817 1.00 0.00 WT1 O ATOM 24812 H1 TIP3 8526 8.624 4.227 13.195 1.00 0.00 WT1 H ATOM 24813 H2 TIP3 8526 9.070 -10.521 -0.006 1.00 0.00 WT1 H ATOM 24814 OH2 TIP3 8527 3.365 0.498 -0.352 1.00 0.00 WT1 O ATOM 24815 H1 TIP3 8527 4.674 -5.670 2.795 1.00 0.00 WT1 H ATOM 24816 H2 TIP3 8527 4.224 4.852 0.708 1.00 0.00 WT1 H ATOM 24817 OH2 TIP3 8528 -4.266 2.078 2.610 1.00 0.00 WT1 O ATOM 24818 H1 TIP3 8528 26.019 24.590 -22.804 1.00 0.00 WT1 H ATOM 24819 H2 TIP3 8528 -13.438 -3.098 -6.035 1.00 0.00 WT1 H ATOM 24820 OH2 TIP3 8529 1.369 -5.425 1.582 1.00 0.00 WT1 O ATOM 24821 H1 TIP3 8529 22.876 -12.973 25.268 1.00 0.00 WT1 H ATOM 24822 H2 TIP3 8529 -17.359 -1.135 1.579 1.00 0.00 WT1 H ATOM 24823 OH2 TIP3 8530 0.865 1.724 2.120 1.00 0.00 WT1 O ATOM 24824 H1 TIP3 8530 27.927 -3.756 3.515 1.00 0.00 WT1 H ATOM 24825 H2 TIP3 8530 10.500 -7.879 -0.453 1.00 0.00 WT1 H ATOM 24826 OH2 TIP3 8531 -1.534 0.381 -1.966 1.00 0.00 WT1 O ATOM 24827 H1 TIP3 8531 -2.673 6.045 -2.556 1.00 0.00 WT1 H ATOM 24828 H2 TIP3 8531 1.547 -2.624 -6.221 1.00 0.00 WT1 H ATOM 24829 OH2 TIP3 8532 4.976 4.227 0.525 1.00 0.00 WT1 O ATOM 24830 H1 TIP3 8532 5.480 27.137 5.902 1.00 0.00 WT1 H ATOM 24831 H2 TIP3 8532 -18.346 -12.217 8.065 1.00 0.00 WT1 H ATOM 24832 OH2 TIP3 8533 1.379 5.222 3.846 1.00 0.00 WT1 O ATOM 24833 H1 TIP3 8533 1.094 7.464 -2.909 1.00 0.00 WT1 H ATOM 24834 H2 TIP3 8533 -4.188 7.815 -2.309 1.00 0.00 WT1 H ATOM 24835 OH2 TIP3 8534 -5.995 -11.205 -1.465 1.00 0.00 WT1 O ATOM 24836 H1 TIP3 8534 18.455 -5.317 -8.967 1.00 0.00 WT1 H ATOM 24837 H2 TIP3 8534 -2.523 -7.082 -1.903 1.00 0.00 WT1 H ATOM 24838 OH2 TIP3 8535 -3.597 0.421 -9.047 1.00 0.00 WT1 O ATOM 24839 H1 TIP3 8535 12.253 1.963 -10.659 1.00 0.00 WT1 H ATOM 24840 H2 TIP3 8535 -14.928 -1.037 -7.737 1.00 0.00 WT1 H ATOM 24841 OH2 TIP3 8536 -4.625 -3.501 5.068 1.00 0.00 WT1 O ATOM 24842 H1 TIP3 8536 -3.483 -0.120 7.577 1.00 0.00 WT1 H ATOM 24843 H2 TIP3 8536 -6.486 -2.880 2.193 1.00 0.00 WT1 H ATOM 24844 OH2 TIP3 8538 3.262 -1.498 -10.245 1.00 0.00 WT1 O ATOM 24845 H1 TIP3 8538 2.391 -1.759 -12.942 1.00 0.00 WT1 H ATOM 24846 H2 TIP3 8538 4.242 -3.398 -12.469 1.00 0.00 WT1 H ATOM 24847 OH2 TIP3 8539 -1.284 -0.519 -0.945 1.00 0.00 WT1 O ATOM 24848 H1 TIP3 8539 9.601 3.876 4.222 1.00 0.00 WT1 H ATOM 24849 H2 TIP3 8539 3.247 -6.055 27.025 1.00 0.00 WT1 H ATOM 24850 OH2 TIP3 8540 4.116 -0.359 2.194 1.00 0.00 WT1 O ATOM 24851 H1 TIP3 8540 -9.999 -9.761 -2.879 1.00 0.00 WT1 H ATOM 24852 H2 TIP3 8540 15.801 5.093 13.264 1.00 0.00 WT1 H ATOM 24853 OH2 TIP3 8541 4.454 -2.175 -2.183 1.00 0.00 WT1 O ATOM 24854 H1 TIP3 8541 7.127 9.487 -15.845 1.00 0.00 WT1 H ATOM 24855 H2 TIP3 8541 -26.364 2.291 -0.960 1.00 0.00 WT1 H ATOM 24856 OH2 TIP3 8542 3.118 -0.556 3.239 1.00 0.00 WT1 O ATOM 24857 H1 TIP3 8542 4.711 -5.163 4.736 1.00 0.00 WT1 H ATOM 24858 H2 TIP3 8542 3.617 16.785 11.104 1.00 0.00 WT1 H ATOM 24859 OH2 TIP3 8543 0.263 -9.450 3.554 1.00 0.00 WT1 O ATOM 24860 H1 TIP3 8543 -4.300 -9.200 6.647 1.00 0.00 WT1 H ATOM 24861 H2 TIP3 8543 10.552 -20.025 21.737 1.00 0.00 WT1 H ATOM 24862 OH2 TIP3 8544 -1.129 -1.071 -2.342 1.00 0.00 WT1 O ATOM 24863 H1 TIP3 8544 0.213 -11.511 10.462 1.00 0.00 WT1 H ATOM 24864 H2 TIP3 8544 5.418 8.312 -1.077 1.00 0.00 WT1 H ATOM 24865 OH2 TIP3 8545 1.087 2.433 8.073 1.00 0.00 WT1 O ATOM 24866 H1 TIP3 8545 4.776 13.434 -4.219 1.00 0.00 WT1 H ATOM 24867 H2 TIP3 8545 5.169 2.967 17.086 1.00 0.00 WT1 H ATOM 24868 OH2 TIP3 8546 -6.809 1.383 1.437 1.00 0.00 WT1 O ATOM 24869 H1 TIP3 8546 -14.896 0.136 -1.407 1.00 0.00 WT1 H ATOM 24870 H2 TIP3 8546 10.211 1.996 9.164 1.00 0.00 WT1 H ATOM 24871 OH2 TIP3 8547 7.381 -4.486 2.343 1.00 0.00 WT1 O ATOM 24872 H1 TIP3 8547 8.698 6.999 -14.898 1.00 0.00 WT1 H ATOM 24873 H2 TIP3 8547 -4.203 -9.843 15.911 1.00 0.00 WT1 H ATOM 24874 OH2 TIP3 8548 2.780 0.585 -0.676 1.00 0.00 WT1 O ATOM 24875 H1 TIP3 8548 13.327 -11.646 -5.845 1.00 0.00 WT1 H ATOM 24876 H2 TIP3 8548 1.147 3.899 -3.248 1.00 0.00 WT1 H ATOM 24877 OH2 TIP3 8549 -6.954 -3.754 7.034 1.00 0.00 WT1 O ATOM 24878 H1 TIP3 8549 -21.002 -17.609 6.228 1.00 0.00 WT1 H ATOM 24879 H2 TIP3 8549 2.589 -3.099 12.240 1.00 0.00 WT1 H ATOM 24880 OH2 TIP3 8550 3.415 -7.441 4.703 1.00 0.00 WT1 O ATOM 24881 H1 TIP3 8550 9.632 -15.792 6.647 1.00 0.00 WT1 H ATOM 24882 H2 TIP3 8550 -13.382 22.317 -3.235 1.00 0.00 WT1 H ATOM 24883 OH2 TIP3 8551 0.338 -3.092 1.309 1.00 0.00 WT1 O ATOM 24884 H1 TIP3 8551 -9.565 0.974 -11.529 1.00 0.00 WT1 H ATOM 24885 H2 TIP3 8551 5.055 -1.763 -2.367 1.00 0.00 WT1 H ATOM 24886 OH2 TIP3 8552 -1.176 2.790 2.168 1.00 0.00 WT1 O ATOM 24887 H1 TIP3 8552 14.774 15.591 -8.454 1.00 0.00 WT1 H ATOM 24888 H2 TIP3 8552 25.293 14.243 -5.909 1.00 0.00 WT1 H ATOM 24889 OH2 TIP3 8553 2.061 2.675 2.718 1.00 0.00 WT1 O ATOM 24890 H1 TIP3 8553 0.852 -3.874 20.811 1.00 0.00 WT1 H ATOM 24891 H2 TIP3 8553 12.142 -11.069 -0.623 1.00 0.00 WT1 H ATOM 24892 OH2 TIP3 8554 3.798 4.176 0.425 1.00 0.00 WT1 O ATOM 24893 H1 TIP3 8554 8.584 -4.687 -7.703 1.00 0.00 WT1 H ATOM 24894 H2 TIP3 8554 -0.576 -11.436 18.036 1.00 0.00 WT1 H ATOM 24895 OH2 TIP3 8555 -2.613 2.192 0.628 1.00 0.00 WT1 O ATOM 24896 H1 TIP3 8555 7.997 3.206 -1.633 1.00 0.00 WT1 H ATOM 24897 H2 TIP3 8555 -8.435 -0.332 -10.064 1.00 0.00 WT1 H ATOM 24898 OH2 TIP3 8556 3.628 0.170 -0.997 1.00 0.00 WT1 O ATOM 24899 H1 TIP3 8556 -6.685 -0.360 20.540 1.00 0.00 WT1 H ATOM 24900 H2 TIP3 8556 2.680 -0.819 4.418 1.00 0.00 WT1 H ATOM 24901 OH2 TIP3 8557 -3.606 2.717 -5.017 1.00 0.00 WT1 O ATOM 24902 H1 TIP3 8557 21.332 19.537 -7.860 1.00 0.00 WT1 H ATOM 24903 H2 TIP3 8557 10.413 0.159 -3.146 1.00 0.00 WT1 H ATOM 24904 OH2 TIP3 8558 -3.960 2.483 -1.251 1.00 0.00 WT1 O ATOM 24905 H1 TIP3 8558 -5.242 1.135 -2.031 1.00 0.00 WT1 H ATOM 24906 H2 TIP3 8558 1.942 7.861 -22.573 1.00 0.00 WT1 H ATOM 24907 OH2 TIP3 8559 -2.967 -1.385 1.079 1.00 0.00 WT1 O ATOM 24908 H1 TIP3 8559 3.304 21.220 16.149 1.00 0.00 WT1 H ATOM 24909 H2 TIP3 8559 -13.536 -3.154 20.486 1.00 0.00 WT1 H ATOM 24910 OH2 TIP3 8560 3.471 4.342 2.829 1.00 0.00 WT1 O ATOM 24911 H1 TIP3 8560 7.912 -5.320 2.072 1.00 0.00 WT1 H ATOM 24912 H2 TIP3 8560 -32.049 10.327 23.423 1.00 0.00 WT1 H ATOM 24913 OH2 TIP3 8561 1.852 0.950 -3.063 1.00 0.00 WT1 O ATOM 24914 H1 TIP3 8561 14.230 7.327 2.060 1.00 0.00 WT1 H ATOM 24915 H2 TIP3 8561 1.329 4.023 4.518 1.00 0.00 WT1 H ATOM 24916 OH2 TIP3 8562 1.531 5.013 4.074 1.00 0.00 WT1 O ATOM 24917 H1 TIP3 8562 -14.832 -15.683 -16.788 1.00 0.00 WT1 H ATOM 24918 H2 TIP3 8562 -1.974 1.369 -4.313 1.00 0.00 WT1 H ATOM 24919 OH2 TIP3 8563 -2.307 6.617 -0.544 1.00 0.00 WT1 O ATOM 24920 H1 TIP3 8563 7.228 3.837 15.886 1.00 0.00 WT1 H ATOM 24921 H2 TIP3 8563 12.230 -10.496 -6.762 1.00 0.00 WT1 H ATOM 24922 OH2 TIP3 8565 0.570 -1.407 -3.364 1.00 0.00 WT1 O ATOM 24923 H1 TIP3 8565 -7.312 20.251 30.937 1.00 0.00 WT1 H ATOM 24924 H2 TIP3 8565 -12.370 -2.546 -9.898 1.00 0.00 WT1 H ATOM 24925 OH2 TIP3 8566 -2.926 6.378 -1.258 1.00 0.00 WT1 O ATOM 24926 H1 TIP3 8566 -11.818 -2.488 7.393 1.00 0.00 WT1 H ATOM 24927 H2 TIP3 8566 4.184 15.036 -23.738 1.00 0.00 WT1 H ATOM 24928 OH2 TIP3 8567 2.228 5.380 -6.595 1.00 0.00 WT1 O ATOM 24929 H1 TIP3 8567 24.757 -6.837 -1.521 1.00 0.00 WT1 H ATOM 24930 H2 TIP3 8567 -3.457 -2.677 12.627 1.00 0.00 WT1 H ATOM 24931 OH2 TIP3 8569 0.208 4.369 1.474 1.00 0.00 WT1 O ATOM 24932 H1 TIP3 8569 0.321 -35.495 29.748 1.00 0.00 WT1 H ATOM 24933 H2 TIP3 8569 14.307 -5.569 5.699 1.00 0.00 WT1 H ATOM 24934 OH2 TIP3 8571 0.478 5.313 2.242 1.00 0.00 WT1 O ATOM 24935 H1 TIP3 8571 -5.406 9.958 15.804 1.00 0.00 WT1 H ATOM 24936 H2 TIP3 8571 -10.918 3.533 4.548 1.00 0.00 WT1 H ATOM 24937 OH2 TIP3 8572 2.102 -0.234 1.584 1.00 0.00 WT1 O ATOM 24938 H1 TIP3 8572 1.516 3.138 -3.405 1.00 0.00 WT1 H ATOM 24939 H2 TIP3 8572 2.803 0.569 -5.212 1.00 0.00 WT1 H ATOM 24940 OH2 TIP3 8573 -1.955 2.573 0.400 1.00 0.00 WT1 O ATOM 24941 H1 TIP3 8573 -2.137 1.600 -3.220 1.00 0.00 WT1 H ATOM 24942 H2 TIP3 8573 -11.707 -21.709 9.238 1.00 0.00 WT1 H ATOM 24943 OH2 TIP3 8574 -1.075 1.380 -3.293 1.00 0.00 WT1 O ATOM 24944 H1 TIP3 8574 -13.766 -6.705 9.325 1.00 0.00 WT1 H ATOM 24945 H2 TIP3 8574 13.375 -21.930 -17.707 1.00 0.00 WT1 H ATOM 24946 OH2 TIP3 8576 6.082 -10.605 5.658 1.00 0.00 WT1 O ATOM 24947 H1 TIP3 8576 16.342 3.144 8.788 1.00 0.00 WT1 H ATOM 24948 H2 TIP3 8576 -3.690 -5.946 0.781 1.00 0.00 WT1 H ATOM 24949 OH2 TIP3 8577 -1.145 -6.962 -6.862 1.00 0.00 WT1 O ATOM 24950 H1 TIP3 8577 -20.116 -0.589 -7.306 1.00 0.00 WT1 H ATOM 24951 H2 TIP3 8577 17.775 5.548 -8.166 1.00 0.00 WT1 H ATOM 24952 OH2 TIP3 8578 -1.988 -1.477 -1.047 1.00 0.00 WT1 O ATOM 24953 H1 TIP3 8578 1.480 -29.507 -10.680 1.00 0.00 WT1 H ATOM 24954 H2 TIP3 8578 -4.675 -15.096 -0.517 1.00 0.00 WT1 H ATOM 24955 OH2 TIP3 8579 3.230 0.355 -0.407 1.00 0.00 WT1 O ATOM 24956 H1 TIP3 8579 -3.413 5.628 7.047 1.00 0.00 WT1 H ATOM 24957 H2 TIP3 8579 13.381 -7.506 -11.330 1.00 0.00 WT1 H ATOM 24958 OH2 TIP3 8580 -2.425 1.852 2.179 1.00 0.00 WT1 O ATOM 24959 H1 TIP3 8580 -3.403 -26.211 -2.371 1.00 0.00 WT1 H ATOM 24960 H2 TIP3 8580 1.135 7.523 18.973 1.00 0.00 WT1 H ATOM 24961 OH2 TIP3 8581 -0.331 -1.856 -0.761 1.00 0.00 WT1 O ATOM 24962 H1 TIP3 8581 -6.369 2.794 1.408 1.00 0.00 WT1 H ATOM 24963 H2 TIP3 8581 5.373 -2.200 4.842 1.00 0.00 WT1 H ATOM 24964 OH2 TIP3 8582 -3.012 3.148 0.124 1.00 0.00 WT1 O ATOM 24965 H1 TIP3 8582 -14.682 -2.458 -3.843 1.00 0.00 WT1 H ATOM 24966 H2 TIP3 8582 -1.029 7.096 0.470 1.00 0.00 WT1 H ATOM 24967 OH2 TIP3 8583 0.663 -9.026 0.041 1.00 0.00 WT1 O ATOM 24968 H1 TIP3 8583 20.053 8.285 3.606 1.00 0.00 WT1 H ATOM 24969 H2 TIP3 8583 3.194 -5.542 -26.801 1.00 0.00 WT1 H ATOM 24970 OH2 TIP3 8584 1.281 0.717 2.405 1.00 0.00 WT1 O ATOM 24971 H1 TIP3 8584 5.381 -0.522 6.396 1.00 0.00 WT1 H ATOM 24972 H2 TIP3 8584 5.006 -2.486 -0.350 1.00 0.00 WT1 H ATOM 24973 OH2 TIP3 8585 1.440 -3.479 -1.991 1.00 0.00 WT1 O ATOM 24974 H1 TIP3 8585 -11.848 -3.417 2.209 1.00 0.00 WT1 H ATOM 24975 H2 TIP3 8585 24.248 0.447 -2.400 1.00 0.00 WT1 H ATOM 24976 OH2 TIP3 8586 5.146 3.063 -1.260 1.00 0.00 WT1 O ATOM 24977 H1 TIP3 8586 6.067 0.399 0.227 1.00 0.00 WT1 H ATOM 24978 H2 TIP3 8586 -0.392 12.769 -15.366 1.00 0.00 WT1 H ATOM 24979 OH2 TIP3 8587 3.082 1.889 -11.736 1.00 0.00 WT1 O ATOM 24980 H1 TIP3 8587 8.760 -0.010 -17.910 1.00 0.00 WT1 H ATOM 24981 H2 TIP3 8587 9.227 5.100 3.399 1.00 0.00 WT1 H ATOM 24982 OH2 TIP3 8588 -3.181 1.930 6.885 1.00 0.00 WT1 O ATOM 24983 H1 TIP3 8588 2.346 4.821 5.906 1.00 0.00 WT1 H ATOM 24984 H2 TIP3 8588 -3.738 1.744 11.349 1.00 0.00 WT1 H ATOM 24985 OH2 TIP3 8589 -5.717 4.929 -1.706 1.00 0.00 WT1 O ATOM 24986 H1 TIP3 8589 12.029 -7.671 -11.953 1.00 0.00 WT1 H ATOM 24987 H2 TIP3 8589 -5.947 1.111 9.243 1.00 0.00 WT1 H ATOM 24988 OH2 TIP3 8590 6.519 -2.767 3.329 1.00 0.00 WT1 O ATOM 24989 H1 TIP3 8590 6.046 1.122 8.827 1.00 0.00 WT1 H ATOM 24990 H2 TIP3 8590 -0.479 -5.340 6.277 1.00 0.00 WT1 H ATOM 24991 OH2 TIP3 8591 4.096 -7.988 -0.497 1.00 0.00 WT1 O ATOM 24992 H1 TIP3 8591 2.905 -16.184 -12.278 1.00 0.00 WT1 H ATOM 24993 H2 TIP3 8591 5.986 -9.339 2.117 1.00 0.00 WT1 H ATOM 24994 OH2 TIP3 8592 6.772 2.406 -9.187 1.00 0.00 WT1 O ATOM 24995 H1 TIP3 8592 -22.560 -0.070 2.319 1.00 0.00 WT1 H ATOM 24996 H2 TIP3 8592 1.536 -14.541 -20.243 1.00 0.00 WT1 H ATOM 24997 OH2 TIP3 8593 -4.164 -3.244 0.842 1.00 0.00 WT1 O ATOM 24998 H1 TIP3 8593 12.573 6.838 8.570 1.00 0.00 WT1 H ATOM 24999 H2 TIP3 8593 -9.000 -4.049 -6.649 1.00 0.00 WT1 H ATOM 25000 OH2 TIP3 8594 -1.417 -0.438 -4.792 1.00 0.00 WT1 O ATOM 25001 H1 TIP3 8594 -13.400 10.008 -4.085 1.00 0.00 WT1 H ATOM 25002 H2 TIP3 8594 0.536 17.736 19.565 1.00 0.00 WT1 H ATOM 25003 OH2 TIP3 8595 0.263 0.402 -9.221 1.00 0.00 WT1 O ATOM 25004 H1 TIP3 8595 5.394 9.747 14.288 1.00 0.00 WT1 H ATOM 25005 H2 TIP3 8595 10.545 9.283 8.089 1.00 0.00 WT1 H ATOM 25006 OH2 TIP3 8596 -0.847 -2.517 6.564 1.00 0.00 WT1 O ATOM 25007 H1 TIP3 8596 7.898 -4.845 15.346 1.00 0.00 WT1 H ATOM 25008 H2 TIP3 8596 -4.001 -27.891 3.901 1.00 0.00 WT1 H ATOM 25009 OH2 TIP3 8597 1.289 3.852 6.913 1.00 0.00 WT1 O ATOM 25010 H1 TIP3 8597 4.639 -0.069 -6.729 1.00 0.00 WT1 H ATOM 25011 H2 TIP3 8597 5.859 -14.583 -10.565 1.00 0.00 WT1 H ATOM 25012 OH2 TIP3 8598 3.314 2.525 3.247 1.00 0.00 WT1 O ATOM 25013 H1 TIP3 8598 3.920 9.893 8.530 1.00 0.00 WT1 H ATOM 25014 H2 TIP3 8598 0.094 -17.644 -10.243 1.00 0.00 WT1 H ATOM 25015 OH2 TIP3 8600 -0.686 6.948 -1.853 1.00 0.00 WT1 O ATOM 25016 H1 TIP3 8600 7.201 -7.243 20.415 1.00 0.00 WT1 H ATOM 25017 H2 TIP3 8600 27.916 -10.426 -4.636 1.00 0.00 WT1 H ATOM 25018 OH2 TIP3 8601 7.027 -6.519 0.534 1.00 0.00 WT1 O ATOM 25019 H1 TIP3 8601 7.898 10.825 -16.642 1.00 0.00 WT1 H ATOM 25020 H2 TIP3 8601 -14.330 -7.048 6.588 1.00 0.00 WT1 H ATOM 25021 OH2 TIP3 8602 -0.256 3.174 7.223 1.00 0.00 WT1 O ATOM 25022 H1 TIP3 8602 3.227 -9.995 -22.661 1.00 0.00 WT1 H ATOM 25023 H2 TIP3 8602 11.750 -0.584 8.656 1.00 0.00 WT1 H ATOM 25024 OH2 TIP3 8603 -2.001 -9.365 -2.970 1.00 0.00 WT1 O ATOM 25025 H1 TIP3 8603 10.870 -13.740 -4.320 1.00 0.00 WT1 H ATOM 25026 H2 TIP3 8603 -11.458 -5.820 -3.089 1.00 0.00 WT1 H ATOM 25027 OH2 TIP3 8604 -1.618 0.097 -3.345 1.00 0.00 WT1 O ATOM 25028 H1 TIP3 8604 -3.147 1.590 6.115 1.00 0.00 WT1 H ATOM 25029 H2 TIP3 8604 -8.330 -11.337 -6.090 1.00 0.00 WT1 H ATOM 25030 OH2 TIP3 8605 -2.183 2.647 -2.402 1.00 0.00 WT1 O ATOM 25031 H1 TIP3 8605 9.967 -4.599 -10.397 1.00 0.00 WT1 H ATOM 25032 H2 TIP3 8605 14.061 4.748 -9.138 1.00 0.00 WT1 H ATOM 25033 OH2 TIP3 8606 3.614 -1.400 -3.038 1.00 0.00 WT1 O ATOM 25034 H1 TIP3 8606 0.074 10.413 18.546 1.00 0.00 WT1 H ATOM 25035 H2 TIP3 8606 26.947 -9.111 10.120 1.00 0.00 WT1 H ATOM 25036 OH2 TIP3 8607 -4.975 -1.278 11.221 1.00 0.00 WT1 O ATOM 25037 H1 TIP3 8607 -17.301 -1.296 -19.499 1.00 0.00 WT1 H ATOM 25038 H2 TIP3 8607 22.120 -5.779 14.866 1.00 0.00 WT1 H ATOM 25039 OH2 TIP3 8608 -1.265 2.336 3.624 1.00 0.00 WT1 O ATOM 25040 H1 TIP3 8608 -1.516 15.628 6.443 1.00 0.00 WT1 H ATOM 25041 H2 TIP3 8608 -6.800 -3.501 12.951 1.00 0.00 WT1 H ATOM 25042 OH2 TIP3 8609 -5.825 2.787 0.583 1.00 0.00 WT1 O ATOM 25043 H1 TIP3 8609 -5.331 11.791 12.151 1.00 0.00 WT1 H ATOM 25044 H2 TIP3 8609 1.304 11.669 24.129 1.00 0.00 WT1 H ATOM 25045 OH2 TIP3 8611 -0.116 0.010 1.011 1.00 0.00 WT1 O ATOM 25046 H1 TIP3 8611 -10.025 16.703 20.253 1.00 0.00 WT1 H ATOM 25047 H2 TIP3 8611 -12.059 3.599 0.794 1.00 0.00 WT1 H ATOM 25048 OH2 TIP3 8612 -0.012 -0.532 -0.664 1.00 0.00 WT1 O ATOM 25049 H1 TIP3 8612 -3.678 -2.337 8.803 1.00 0.00 WT1 H ATOM 25050 H2 TIP3 8612 19.818 0.535 4.361 1.00 0.00 WT1 H ATOM 25051 OH2 TIP3 8613 1.918 0.086 5.346 1.00 0.00 WT1 O ATOM 25052 H1 TIP3 8613 3.256 -8.941 13.793 1.00 0.00 WT1 H ATOM 25053 H2 TIP3 8613 11.334 -0.033 -1.492 1.00 0.00 WT1 H ATOM 25054 OH2 TIP3 8614 -8.408 5.834 4.782 1.00 0.00 WT1 O ATOM 25055 H1 TIP3 8614 -7.333 -4.456 16.632 1.00 0.00 WT1 H ATOM 25056 H2 TIP3 8614 -3.222 29.529 6.874 1.00 0.00 WT1 H ATOM 25057 OH2 TIP3 8615 -0.777 -5.567 -1.245 1.00 0.00 WT1 O ATOM 25058 H1 TIP3 8615 -7.424 0.426 -10.441 1.00 0.00 WT1 H ATOM 25059 H2 TIP3 8615 1.457 -7.989 1.798 1.00 0.00 WT1 H ATOM 25060 OH2 TIP3 8616 -0.940 2.323 3.385 1.00 0.00 WT1 O ATOM 25061 H1 TIP3 8616 3.621 -18.870 -10.623 1.00 0.00 WT1 H ATOM 25062 H2 TIP3 8616 4.761 11.017 -10.785 1.00 0.00 WT1 H ATOM 25063 OH2 TIP3 8617 1.908 1.794 -2.510 1.00 0.00 WT1 O ATOM 25064 H1 TIP3 8617 14.805 -6.148 -22.402 1.00 0.00 WT1 H ATOM 25065 H2 TIP3 8617 12.271 -2.264 -11.993 1.00 0.00 WT1 H ATOM 25066 OH2 TIP3 8618 -4.049 5.389 -8.180 1.00 0.00 WT1 O ATOM 25067 H1 TIP3 8618 3.563 18.459 -16.209 1.00 0.00 WT1 H ATOM 25068 H2 TIP3 8618 0.694 13.901 -13.154 1.00 0.00 WT1 H ATOM 25069 OH2 TIP3 8619 1.665 3.769 -6.998 1.00 0.00 WT1 O ATOM 25070 H1 TIP3 8619 -8.880 22.478 -8.294 1.00 0.00 WT1 H ATOM 25071 H2 TIP3 8619 9.381 -1.900 -10.722 1.00 0.00 WT1 H ATOM 25072 OH2 TIP3 8620 0.063 -6.433 1.723 1.00 0.00 WT1 O ATOM 25073 H1 TIP3 8620 1.329 -0.121 -0.830 1.00 0.00 WT1 H ATOM 25074 H2 TIP3 8620 1.532 -8.791 0.472 1.00 0.00 WT1 H ATOM 25075 OH2 TIP3 8622 -8.013 -3.172 -4.197 1.00 0.00 WT1 O ATOM 25076 H1 TIP3 8622 -0.520 5.480 18.814 1.00 0.00 WT1 H ATOM 25077 H2 TIP3 8622 -5.295 -3.071 -8.653 1.00 0.00 WT1 H ATOM 25078 OH2 TIP3 8623 -6.104 2.512 -7.019 1.00 0.00 WT1 O ATOM 25079 H1 TIP3 8623 -2.390 0.436 -22.192 1.00 0.00 WT1 H ATOM 25080 H2 TIP3 8623 -11.000 -0.803 -9.994 1.00 0.00 WT1 H ATOM 25081 OH2 TIP3 8624 2.141 4.116 -0.494 1.00 0.00 WT1 O ATOM 25082 H1 TIP3 8624 -0.443 -2.960 -2.023 1.00 0.00 WT1 H ATOM 25083 H2 TIP3 8624 10.114 -6.033 1.008 1.00 0.00 WT1 H ATOM 25084 OH2 TIP3 8625 -5.411 0.302 5.277 1.00 0.00 WT1 O ATOM 25085 H1 TIP3 8625 1.489 3.599 -4.943 1.00 0.00 WT1 H ATOM 25086 H2 TIP3 8625 -5.316 8.419 10.860 1.00 0.00 WT1 H ATOM 25087 OH2 TIP3 8627 -0.275 -3.248 0.974 1.00 0.00 WT1 O ATOM 25088 H1 TIP3 8627 0.741 -3.658 -0.285 1.00 0.00 WT1 H ATOM 25089 H2 TIP3 8627 8.281 0.570 -0.457 1.00 0.00 WT1 H ATOM 25090 OH2 TIP3 8628 -4.200 4.017 -1.246 1.00 0.00 WT1 O ATOM 25091 H1 TIP3 8628 1.841 -12.979 -14.872 1.00 0.00 WT1 H ATOM 25092 H2 TIP3 8628 12.737 14.709 -0.173 1.00 0.00 WT1 H ATOM 25093 OH2 TIP3 8629 -6.166 0.695 2.777 1.00 0.00 WT1 O ATOM 25094 H1 TIP3 8629 4.309 -8.244 6.433 1.00 0.00 WT1 H ATOM 25095 H2 TIP3 8629 -16.211 19.404 -0.665 1.00 0.00 WT1 H ATOM 25096 OH2 TIP3 8630 4.896 3.974 2.574 1.00 0.00 WT1 O ATOM 25097 H1 TIP3 8630 5.320 2.359 3.404 1.00 0.00 WT1 H ATOM 25098 H2 TIP3 8630 3.272 4.604 9.035 1.00 0.00 WT1 H ATOM 25099 OH2 TIP3 8631 -5.410 3.729 -1.777 1.00 0.00 WT1 O ATOM 25100 H1 TIP3 8631 -0.176 -23.550 -14.412 1.00 0.00 WT1 H ATOM 25101 H2 TIP3 8631 -2.839 8.968 5.675 1.00 0.00 WT1 H ATOM 25102 OH2 TIP3 8633 0.959 -5.134 4.665 1.00 0.00 WT1 O ATOM 25103 H1 TIP3 8633 2.169 -2.322 4.748 1.00 0.00 WT1 H ATOM 25104 H2 TIP3 8633 24.294 -5.206 -1.491 1.00 0.00 WT1 H ATOM 25105 OH2 TIP3 8634 5.151 5.408 2.686 1.00 0.00 WT1 O ATOM 25106 H1 TIP3 8634 13.039 19.109 3.519 1.00 0.00 WT1 H ATOM 25107 H2 TIP3 8634 -11.232 13.902 11.015 1.00 0.00 WT1 H ATOM 25108 OH2 TIP3 8635 -2.210 4.398 2.776 1.00 0.00 WT1 O ATOM 25109 H1 TIP3 8635 1.026 6.217 11.304 1.00 0.00 WT1 H ATOM 25110 H2 TIP3 8635 -8.939 -2.655 3.284 1.00 0.00 WT1 H ATOM 25111 OH2 TIP3 8636 -7.701 -8.502 -2.137 1.00 0.00 WT1 O ATOM 25112 H1 TIP3 8636 2.006 13.847 -10.709 1.00 0.00 WT1 H ATOM 25113 H2 TIP3 8636 -12.289 -11.924 28.812 1.00 0.00 WT1 H ATOM 25114 OH2 TIP3 8637 3.501 -1.683 -6.794 1.00 0.00 WT1 O ATOM 25115 H1 TIP3 8637 -2.358 17.739 -16.012 1.00 0.00 WT1 H ATOM 25116 H2 TIP3 8637 -6.564 -16.114 -20.666 1.00 0.00 WT1 H ATOM 25117 OH2 TIP3 8638 -1.070 5.132 -2.803 1.00 0.00 WT1 O ATOM 25118 H1 TIP3 8638 -15.498 8.244 -14.818 1.00 0.00 WT1 H ATOM 25119 H2 TIP3 8638 30.185 20.376 8.139 1.00 0.00 WT1 H ATOM 25120 OH2 TIP3 8639 3.803 -6.607 -2.114 1.00 0.00 WT1 O ATOM 25121 H1 TIP3 8639 -27.468 3.898 -17.140 1.00 0.00 WT1 H ATOM 25122 H2 TIP3 8639 8.902 -7.022 -1.238 1.00 0.00 WT1 H ATOM 25123 OH2 TIP3 8640 -5.361 4.644 -0.807 1.00 0.00 WT1 O ATOM 25124 H1 TIP3 8640 -13.240 16.741 2.814 1.00 0.00 WT1 H ATOM 25125 H2 TIP3 8640 9.185 4.859 13.987 1.00 0.00 WT1 H ATOM 25126 OH2 TIP3 8641 3.193 6.447 0.438 1.00 0.00 WT1 O ATOM 25127 H1 TIP3 8641 -2.066 15.512 8.612 1.00 0.00 WT1 H ATOM 25128 H2 TIP3 8641 -9.336 -15.792 18.949 1.00 0.00 WT1 H ATOM 25129 OH2 TIP3 8642 -1.732 1.968 -5.626 1.00 0.00 WT1 O ATOM 25130 H1 TIP3 8642 3.819 5.916 -1.161 1.00 0.00 WT1 H ATOM 25131 H2 TIP3 8642 -12.202 -10.968 -16.351 1.00 0.00 WT1 H ATOM 25132 OH2 TIP3 8643 -5.329 -3.731 5.592 1.00 0.00 WT1 O ATOM 25133 H1 TIP3 8643 -8.311 -11.891 10.369 1.00 0.00 WT1 H ATOM 25134 H2 TIP3 8643 -3.010 -7.654 -7.831 1.00 0.00 WT1 H ATOM 25135 OH2 TIP3 8644 -0.699 -1.476 2.525 1.00 0.00 WT1 O ATOM 25136 H1 TIP3 8644 -11.666 1.026 -1.992 1.00 0.00 WT1 H ATOM 25137 H2 TIP3 8644 -1.330 1.399 1.008 1.00 0.00 WT1 H ATOM 25138 OH2 TIP3 8645 4.013 1.137 -1.019 1.00 0.00 WT1 O ATOM 25139 H1 TIP3 8645 -4.734 -44.412 41.799 1.00 0.00 WT1 H ATOM 25140 H2 TIP3 8645 -28.248 13.002 -25.349 1.00 0.00 WT1 H ATOM 25141 OH2 TIP3 8646 1.775 6.888 5.986 1.00 0.00 WT1 O ATOM 25142 H1 TIP3 8646 -23.984 -24.373 -10.354 1.00 0.00 WT1 H ATOM 25143 H2 TIP3 8646 40.342 -3.892 -3.983 1.00 0.00 WT1 H ATOM 25144 OH2 TIP3 8647 -0.990 6.522 -0.721 1.00 0.00 WT1 O ATOM 25145 H1 TIP3 8647 2.139 6.632 2.074 1.00 0.00 WT1 H ATOM 25146 H2 TIP3 8647 1.481 2.426 -2.598 1.00 0.00 WT1 H ATOM 25147 OH2 TIP3 8648 2.093 -5.593 -5.366 1.00 0.00 WT1 O ATOM 25148 H1 TIP3 8648 -4.085 -4.981 -13.103 1.00 0.00 WT1 H ATOM 25149 H2 TIP3 8648 17.321 -7.289 12.051 1.00 0.00 WT1 H ATOM 25150 OH2 TIP3 8649 -4.643 0.712 2.112 1.00 0.00 WT1 O ATOM 25151 H1 TIP3 8649 4.135 -9.799 12.275 1.00 0.00 WT1 H ATOM 25152 H2 TIP3 8649 6.440 -10.474 -0.108 1.00 0.00 WT1 H ATOM 25153 OH2 TIP3 8650 -6.337 -0.555 -0.650 1.00 0.00 WT1 O ATOM 25154 H1 TIP3 8650 -3.028 -11.078 -7.770 1.00 0.00 WT1 H ATOM 25155 H2 TIP3 8650 4.062 3.768 2.892 1.00 0.00 WT1 H ATOM 25156 OH2 TIP3 8652 -9.067 -0.170 -0.489 1.00 0.00 WT1 O ATOM 25157 H1 TIP3 8652 -8.793 -22.802 4.165 1.00 0.00 WT1 H ATOM 25158 H2 TIP3 8652 -15.606 -27.465 5.758 1.00 0.00 WT1 H ATOM 25159 OH2 TIP3 8653 -3.628 1.525 -0.502 1.00 0.00 WT1 O ATOM 25160 H1 TIP3 8653 3.598 0.330 -7.330 1.00 0.00 WT1 H ATOM 25161 H2 TIP3 8653 12.025 -1.774 -11.087 1.00 0.00 WT1 H ATOM 25162 OH2 TIP3 8654 -5.906 -2.148 -0.404 1.00 0.00 WT1 O ATOM 25163 H1 TIP3 8654 4.840 -10.685 4.074 1.00 0.00 WT1 H ATOM 25164 H2 TIP3 8654 14.630 -1.914 -2.863 1.00 0.00 WT1 H ATOM 25165 OH2 TIP3 8655 1.468 -4.374 -6.705 1.00 0.00 WT1 O ATOM 25166 H1 TIP3 8655 0.198 -2.912 -8.606 1.00 0.00 WT1 H ATOM 25167 H2 TIP3 8655 9.021 -6.216 -15.008 1.00 0.00 WT1 H ATOM 25168 OH2 TIP3 8656 -13.828 -5.738 0.929 1.00 0.00 WT1 O ATOM 25169 H1 TIP3 8656 -2.411 14.609 -8.619 1.00 0.00 WT1 H ATOM 25170 H2 TIP3 8656 -13.442 4.996 -4.893 1.00 0.00 WT1 H ATOM 25171 OH2 TIP3 8657 -1.532 -0.061 -2.811 1.00 0.00 WT1 O ATOM 25172 H1 TIP3 8657 -13.946 -4.919 -14.303 1.00 0.00 WT1 H ATOM 25173 H2 TIP3 8657 -21.971 -7.858 -15.806 1.00 0.00 WT1 H ATOM 25174 OH2 TIP3 8658 2.070 -0.873 2.230 1.00 0.00 WT1 O ATOM 25175 H1 TIP3 8658 6.803 -2.298 4.155 1.00 0.00 WT1 H ATOM 25176 H2 TIP3 8658 4.368 -0.416 3.764 1.00 0.00 WT1 H ATOM 25177 OH2 TIP3 8659 0.484 -0.436 -3.280 1.00 0.00 WT1 O ATOM 25178 H1 TIP3 8659 8.818 8.024 17.148 1.00 0.00 WT1 H ATOM 25179 H2 TIP3 8659 -4.965 -7.111 -21.482 1.00 0.00 WT1 H ATOM 25180 OH2 TIP3 8660 7.131 -4.479 10.088 1.00 0.00 WT1 O ATOM 25181 H1 TIP3 8660 -31.688 3.499 -7.063 1.00 0.00 WT1 H ATOM 25182 H2 TIP3 8660 7.638 -4.968 10.329 1.00 0.00 WT1 H ATOM 25183 OH2 TIP3 8662 -1.519 2.852 -0.398 1.00 0.00 WT1 O ATOM 25184 H1 TIP3 8662 7.652 6.934 -5.536 1.00 0.00 WT1 H ATOM 25185 H2 TIP3 8662 -12.020 11.586 5.258 1.00 0.00 WT1 H ATOM 25186 OH2 TIP3 8663 3.222 1.870 0.818 1.00 0.00 WT1 O ATOM 25187 H1 TIP3 8663 10.362 3.586 1.980 1.00 0.00 WT1 H ATOM 25188 H2 TIP3 8663 -0.127 5.603 8.207 1.00 0.00 WT1 H ATOM 25189 OH2 TIP3 8665 4.436 -7.457 1.333 1.00 0.00 WT1 O ATOM 25190 H1 TIP3 8665 3.782 0.793 9.542 1.00 0.00 WT1 H ATOM 25191 H2 TIP3 8665 -12.846 5.048 18.803 1.00 0.00 WT1 H ATOM 25192 OH2 TIP3 8666 1.675 -3.757 0.322 1.00 0.00 WT1 O ATOM 25193 H1 TIP3 8666 -5.435 -9.212 -10.230 1.00 0.00 WT1 H ATOM 25194 H2 TIP3 8666 4.073 -9.657 5.962 1.00 0.00 WT1 H ATOM 25195 OH2 TIP3 8667 -3.563 -1.590 -5.063 1.00 0.00 WT1 O ATOM 25196 H1 TIP3 8667 -6.090 5.580 19.674 1.00 0.00 WT1 H ATOM 25197 H2 TIP3 8667 -18.341 10.786 -3.266 1.00 0.00 WT1 H ATOM 25198 OH2 TIP3 8668 11.259 1.711 1.363 1.00 0.00 WT1 O ATOM 25199 H1 TIP3 8668 0.076 3.065 6.859 1.00 0.00 WT1 H ATOM 25200 H2 TIP3 8668 -19.793 0.165 18.911 1.00 0.00 WT1 H ATOM 25201 OH2 TIP3 8669 3.951 -1.045 2.354 1.00 0.00 WT1 O ATOM 25202 H1 TIP3 8669 6.126 0.055 -0.884 1.00 0.00 WT1 H ATOM 25203 H2 TIP3 8669 11.015 -8.687 -22.747 1.00 0.00 WT1 H ATOM 25204 OH2 TIP3 8670 -0.948 -4.953 4.200 1.00 0.00 WT1 O ATOM 25205 H1 TIP3 8670 1.601 -5.570 2.520 1.00 0.00 WT1 H ATOM 25206 H2 TIP3 8670 1.446 -3.839 -0.031 1.00 0.00 WT1 H ATOM 25207 OH2 TIP3 8671 -3.601 5.788 2.255 1.00 0.00 WT1 O ATOM 25208 H1 TIP3 8671 -9.680 11.670 2.460 1.00 0.00 WT1 H ATOM 25209 H2 TIP3 8671 -4.504 -7.252 -6.012 1.00 0.00 WT1 H ATOM 25210 OH2 TIP3 8672 -7.855 -0.144 -0.037 1.00 0.00 WT1 O ATOM 25211 H1 TIP3 8672 2.724 1.426 0.886 1.00 0.00 WT1 H ATOM 25212 H2 TIP3 8672 -17.631 -3.020 -7.164 1.00 0.00 WT1 H ATOM 25213 OH2 TIP3 8673 2.971 -1.481 -4.540 1.00 0.00 WT1 O ATOM 25214 H1 TIP3 8673 -11.372 13.071 -9.790 1.00 0.00 WT1 H ATOM 25215 H2 TIP3 8673 2.410 9.031 -20.644 1.00 0.00 WT1 H ATOM 25216 OH2 TIP3 8674 0.759 -1.366 -0.932 1.00 0.00 WT1 O ATOM 25217 H1 TIP3 8674 -9.246 5.723 -12.066 1.00 0.00 WT1 H ATOM 25218 H2 TIP3 8674 9.820 -8.668 -20.477 1.00 0.00 WT1 H ATOM 25219 OH2 TIP3 8675 -2.584 -9.302 0.501 1.00 0.00 WT1 O ATOM 25220 H1 TIP3 8675 -8.129 -5.222 0.140 1.00 0.00 WT1 H ATOM 25221 H2 TIP3 8675 -21.081 4.886 -5.434 1.00 0.00 WT1 H ATOM 25222 OH2 TIP3 8676 -1.487 -1.278 -1.517 1.00 0.00 WT1 O ATOM 25223 H1 TIP3 8676 -10.056 -2.894 -10.124 1.00 0.00 WT1 H ATOM 25224 H2 TIP3 8676 -2.318 -9.904 1.115 1.00 0.00 WT1 H ATOM 25225 OH2 TIP3 8677 -3.409 -4.229 -8.549 1.00 0.00 WT1 O ATOM 25226 H1 TIP3 8677 -8.943 7.363 13.762 1.00 0.00 WT1 H ATOM 25227 H2 TIP3 8677 -2.366 -4.476 -9.644 1.00 0.00 WT1 H ATOM 25228 OH2 TIP3 8678 -0.460 -9.660 -6.099 1.00 0.00 WT1 O ATOM 25229 H1 TIP3 8678 4.783 3.348 -7.617 1.00 0.00 WT1 H ATOM 25230 H2 TIP3 8678 -6.969 -4.260 -6.922 1.00 0.00 WT1 H ATOM 25231 OH2 TIP3 8679 4.399 1.620 -1.751 1.00 0.00 WT1 O ATOM 25232 H1 TIP3 8679 -10.538 -24.975 11.136 1.00 0.00 WT1 H ATOM 25233 H2 TIP3 8679 -17.634 26.229 1.465 1.00 0.00 WT1 H ATOM 25234 OH2 TIP3 8680 0.700 -0.008 -2.352 1.00 0.00 WT1 O ATOM 25235 H1 TIP3 8680 -16.658 -13.868 -15.830 1.00 0.00 WT1 H ATOM 25236 H2 TIP3 8680 7.771 -4.181 14.095 1.00 0.00 WT1 H ATOM 25237 OH2 TIP3 8681 3.360 1.833 -3.489 1.00 0.00 WT1 O ATOM 25238 H1 TIP3 8681 -13.897 15.173 -5.913 1.00 0.00 WT1 H ATOM 25239 H2 TIP3 8681 -13.031 2.037 -11.703 1.00 0.00 WT1 H ATOM 25240 OH2 TIP3 8682 -1.407 2.235 -2.577 1.00 0.00 WT1 O ATOM 25241 H1 TIP3 8682 3.387 0.914 -1.088 1.00 0.00 WT1 H ATOM 25242 H2 TIP3 8682 4.997 -8.057 0.031 1.00 0.00 WT1 H ATOM 25243 OH2 TIP3 8683 2.399 4.529 3.820 1.00 0.00 WT1 O ATOM 25244 H1 TIP3 8683 -11.420 22.629 8.447 1.00 0.00 WT1 H ATOM 25245 H2 TIP3 8683 -2.849 12.413 4.201 1.00 0.00 WT1 H ATOM 25246 OH2 TIP3 8684 4.877 5.394 0.661 1.00 0.00 WT1 O ATOM 25247 H1 TIP3 8684 -12.382 3.202 -8.735 1.00 0.00 WT1 H ATOM 25248 H2 TIP3 8684 19.282 5.419 -14.190 1.00 0.00 WT1 H ATOM 25249 OH2 TIP3 8685 5.279 4.011 3.487 1.00 0.00 WT1 O ATOM 25250 H1 TIP3 8685 -7.279 -8.848 -0.891 1.00 0.00 WT1 H ATOM 25251 H2 TIP3 8685 7.953 4.724 7.267 1.00 0.00 WT1 H ATOM 25252 OH2 TIP3 8686 -2.085 -0.973 1.294 1.00 0.00 WT1 O ATOM 25253 H1 TIP3 8686 -1.158 -9.402 18.295 1.00 0.00 WT1 H ATOM 25254 H2 TIP3 8686 -16.317 -7.946 -5.742 1.00 0.00 WT1 H ATOM 25255 OH2 TIP3 8687 5.615 4.201 -1.641 1.00 0.00 WT1 O ATOM 25256 H1 TIP3 8687 -27.179 -5.664 11.170 1.00 0.00 WT1 H ATOM 25257 H2 TIP3 8687 -18.301 7.054 -3.181 1.00 0.00 WT1 H ATOM 25258 OH2 TIP3 8688 -0.468 3.973 -4.433 1.00 0.00 WT1 O ATOM 25259 H1 TIP3 8688 -11.723 11.680 2.825 1.00 0.00 WT1 H ATOM 25260 H2 TIP3 8688 -6.409 -6.799 -15.651 1.00 0.00 WT1 H ATOM 25261 OH2 TIP3 8690 1.834 0.407 -7.343 1.00 0.00 WT1 O ATOM 25262 H1 TIP3 8690 -10.565 3.328 -1.542 1.00 0.00 WT1 H ATOM 25263 H2 TIP3 8690 -3.663 -1.761 -3.601 1.00 0.00 WT1 H ATOM 25264 OH2 TIP3 8691 4.731 0.929 3.505 1.00 0.00 WT1 O ATOM 25265 H1 TIP3 8691 -9.778 -8.466 -14.939 1.00 0.00 WT1 H ATOM 25266 H2 TIP3 8691 0.193 3.180 1.282 1.00 0.00 WT1 H ATOM 25267 OH2 TIP3 8692 -1.685 0.037 3.928 1.00 0.00 WT1 O ATOM 25268 H1 TIP3 8692 -1.171 11.951 10.316 1.00 0.00 WT1 H ATOM 25269 H2 TIP3 8692 10.932 -4.409 3.626 1.00 0.00 WT1 H ATOM 25270 OH2 TIP3 8693 11.841 -9.179 5.646 1.00 0.00 WT1 O ATOM 25271 H1 TIP3 8693 -4.836 -13.329 3.498 1.00 0.00 WT1 H ATOM 25272 H2 TIP3 8693 -2.147 -9.435 -0.070 1.00 0.00 WT1 H ATOM 25273 OH2 TIP3 8694 0.863 -0.991 2.296 1.00 0.00 WT1 O ATOM 25274 H1 TIP3 8694 2.458 -23.310 -12.600 1.00 0.00 WT1 H ATOM 25275 H2 TIP3 8694 5.326 6.891 0.973 1.00 0.00 WT1 H ATOM 25276 OH2 TIP3 8695 2.841 -3.871 -1.571 1.00 0.00 WT1 O ATOM 25277 H1 TIP3 8695 11.135 -0.292 1.311 1.00 0.00 WT1 H ATOM 25278 H2 TIP3 8695 8.274 -7.404 -7.369 1.00 0.00 WT1 H ATOM 25279 OH2 TIP3 8696 1.643 -5.690 2.423 1.00 0.00 WT1 O ATOM 25280 H1 TIP3 8696 -2.882 -4.982 14.412 1.00 0.00 WT1 H ATOM 25281 H2 TIP3 8696 2.058 5.917 -2.368 1.00 0.00 WT1 H ATOM 25282 OH2 TIP3 8697 -4.414 -3.534 2.592 1.00 0.00 WT1 O ATOM 25283 H1 TIP3 8697 1.968 -2.058 -14.254 1.00 0.00 WT1 H ATOM 25284 H2 TIP3 8697 -8.275 0.996 -25.588 1.00 0.00 WT1 H ATOM 25285 OH2 TIP3 8698 -5.993 -3.796 2.086 1.00 0.00 WT1 O ATOM 25286 H1 TIP3 8698 -0.375 6.536 2.930 1.00 0.00 WT1 H ATOM 25287 H2 TIP3 8698 3.869 -18.933 -11.798 1.00 0.00 WT1 H ATOM 25288 OH2 TIP3 8699 2.424 3.173 2.063 1.00 0.00 WT1 O ATOM 25289 H1 TIP3 8699 -3.731 4.464 19.707 1.00 0.00 WT1 H ATOM 25290 H2 TIP3 8699 -3.762 -2.729 25.268 1.00 0.00 WT1 H ATOM 25291 OH2 TIP3 8700 -2.174 0.295 -5.962 1.00 0.00 WT1 O ATOM 25292 H1 TIP3 8700 4.244 -4.126 -19.863 1.00 0.00 WT1 H ATOM 25293 H2 TIP3 8700 13.036 -10.496 12.034 1.00 0.00 WT1 H ATOM 25294 OH2 TIP3 8702 0.047 1.907 -3.439 1.00 0.00 WT1 O ATOM 25295 H1 TIP3 8702 10.559 -12.000 -3.411 1.00 0.00 WT1 H ATOM 25296 H2 TIP3 8702 -3.315 -1.135 -3.667 1.00 0.00 WT1 H ATOM 25297 OH2 TIP3 8703 -3.090 0.881 -2.347 1.00 0.00 WT1 O ATOM 25298 H1 TIP3 8703 0.050 -13.501 30.985 1.00 0.00 WT1 H ATOM 25299 H2 TIP3 8703 11.918 -8.549 -4.120 1.00 0.00 WT1 H ATOM 25300 OH2 TIP3 8704 -3.997 -0.474 3.792 1.00 0.00 WT1 O ATOM 25301 H1 TIP3 8704 3.048 5.334 5.306 1.00 0.00 WT1 H ATOM 25302 H2 TIP3 8704 0.414 -5.070 8.722 1.00 0.00 WT1 H ATOM 25303 OH2 TIP3 8706 5.844 2.132 1.094 1.00 0.00 WT1 O ATOM 25304 H1 TIP3 8706 -15.030 5.623 9.062 1.00 0.00 WT1 H ATOM 25305 H2 TIP3 8706 31.520 -4.191 -22.730 1.00 0.00 WT1 H ATOM 25306 OH2 TIP3 8707 -1.044 -1.790 1.330 1.00 0.00 WT1 O ATOM 25307 H1 TIP3 8707 -26.203 -6.379 -8.662 1.00 0.00 WT1 H ATOM 25308 H2 TIP3 8707 15.095 -17.535 -12.637 1.00 0.00 WT1 H ATOM 25309 OH2 TIP3 8708 1.531 1.283 -3.242 1.00 0.00 WT1 O ATOM 25310 H1 TIP3 8708 -13.123 9.901 3.169 1.00 0.00 WT1 H ATOM 25311 H2 TIP3 8708 -1.843 -7.090 12.705 1.00 0.00 WT1 H ATOM 25312 OH2 TIP3 8709 1.019 2.679 -4.612 1.00 0.00 WT1 O ATOM 25313 H1 TIP3 8709 2.903 -8.189 -7.391 1.00 0.00 WT1 H ATOM 25314 H2 TIP3 8709 3.275 -10.193 1.972 1.00 0.00 WT1 H ATOM 25315 OH2 TIP3 8710 -7.375 -2.920 5.866 1.00 0.00 WT1 O ATOM 25316 H1 TIP3 8710 23.353 2.722 -6.340 1.00 0.00 WT1 H ATOM 25317 H2 TIP3 8710 -12.711 4.895 -3.996 1.00 0.00 WT1 H ATOM 25318 OH2 TIP3 8711 3.698 6.343 -0.313 1.00 0.00 WT1 O ATOM 25319 H1 TIP3 8711 8.006 6.940 -22.992 1.00 0.00 WT1 H ATOM 25320 H2 TIP3 8711 -1.102 -11.358 -0.899 1.00 0.00 WT1 H ATOM 25321 OH2 TIP3 8712 2.189 5.968 0.397 1.00 0.00 WT1 O ATOM 25322 H1 TIP3 8712 -13.116 -2.941 -3.674 1.00 0.00 WT1 H ATOM 25323 H2 TIP3 8712 3.199 5.255 -15.757 1.00 0.00 WT1 H ATOM 25324 OH2 TIP3 8713 2.359 -1.364 -2.404 1.00 0.00 WT1 O ATOM 25325 H1 TIP3 8713 12.722 -3.352 -3.769 1.00 0.00 WT1 H ATOM 25326 H2 TIP3 8713 2.467 13.497 -10.916 1.00 0.00 WT1 H ATOM 25327 OH2 TIP3 8714 -1.941 2.552 -0.328 1.00 0.00 WT1 O ATOM 25328 H1 TIP3 8714 5.055 3.884 -11.125 1.00 0.00 WT1 H ATOM 25329 H2 TIP3 8714 2.716 -1.173 -4.445 1.00 0.00 WT1 H ATOM 25330 OH2 TIP3 8715 -4.912 3.416 -1.650 1.00 0.00 WT1 O ATOM 25331 H1 TIP3 8715 -5.068 9.229 -22.775 1.00 0.00 WT1 H ATOM 25332 H2 TIP3 8715 -20.984 16.088 7.213 1.00 0.00 WT1 H ATOM 25333 OH2 TIP3 8716 -0.314 -3.644 1.197 1.00 0.00 WT1 O ATOM 25334 H1 TIP3 8716 -1.932 6.751 -11.864 1.00 0.00 WT1 H ATOM 25335 H2 TIP3 8716 5.663 -22.927 7.655 1.00 0.00 WT1 H ATOM 25336 OH2 TIP3 8717 -1.469 -3.470 -1.154 1.00 0.00 WT1 O ATOM 25337 H1 TIP3 8717 -11.151 5.479 -7.759 1.00 0.00 WT1 H ATOM 25338 H2 TIP3 8717 1.915 -1.812 16.500 1.00 0.00 WT1 H ATOM 25339 OH2 TIP3 8718 -5.406 0.512 -2.650 1.00 0.00 WT1 O ATOM 25340 H1 TIP3 8718 -10.461 0.800 9.597 1.00 0.00 WT1 H ATOM 25341 H2 TIP3 8718 -0.578 -5.295 -16.263 1.00 0.00 WT1 H ATOM 25342 OH2 TIP3 8719 0.397 8.979 -0.303 1.00 0.00 WT1 O ATOM 25343 H1 TIP3 8719 30.867 -10.693 -5.910 1.00 0.00 WT1 H ATOM 25344 H2 TIP3 8719 -17.991 -27.139 31.692 1.00 0.00 WT1 H ATOM 25345 OH2 TIP3 8720 -2.002 -2.223 -0.405 1.00 0.00 WT1 O ATOM 25346 H1 TIP3 8720 6.492 1.672 8.773 1.00 0.00 WT1 H ATOM 25347 H2 TIP3 8720 -1.789 2.216 9.132 1.00 0.00 WT1 H ATOM 25348 OH2 TIP3 8721 0.851 -0.096 0.687 1.00 0.00 WT1 O ATOM 25349 H1 TIP3 8721 -1.847 13.960 -11.367 1.00 0.00 WT1 H ATOM 25350 H2 TIP3 8721 -16.104 -6.613 1.372 1.00 0.00 WT1 H ATOM 25351 OH2 TIP3 8722 -3.961 -6.109 0.191 1.00 0.00 WT1 O ATOM 25352 H1 TIP3 8722 -16.825 2.289 13.554 1.00 0.00 WT1 H ATOM 25353 H2 TIP3 8722 1.890 -8.607 3.144 1.00 0.00 WT1 H ATOM 25354 OH2 TIP3 8723 8.951 -2.493 5.726 1.00 0.00 WT1 O ATOM 25355 H1 TIP3 8723 25.941 -0.347 -9.968 1.00 0.00 WT1 H ATOM 25356 H2 TIP3 8723 -6.380 14.460 4.914 1.00 0.00 WT1 H ATOM 25357 OH2 TIP3 8724 -1.613 -4.276 -8.439 1.00 0.00 WT1 O ATOM 25358 H1 TIP3 8724 -1.890 -0.440 0.506 1.00 0.00 WT1 H ATOM 25359 H2 TIP3 8724 -28.159 -13.647 -1.639 1.00 0.00 WT1 H ATOM 25360 OH2 TIP3 8725 1.008 -2.428 -2.002 1.00 0.00 WT1 O ATOM 25361 H1 TIP3 8725 26.506 -7.569 -16.565 1.00 0.00 WT1 H ATOM 25362 H2 TIP3 8725 -4.008 24.993 31.227 1.00 0.00 WT1 H ATOM 25363 OH2 TIP3 8726 2.009 -0.434 1.227 1.00 0.00 WT1 O ATOM 25364 H1 TIP3 8726 -21.899 -2.411 -3.447 1.00 0.00 WT1 H ATOM 25365 H2 TIP3 8726 4.789 13.503 0.015 1.00 0.00 WT1 H ATOM 25366 OH2 TIP3 8727 3.726 2.661 -1.657 1.00 0.00 WT1 O ATOM 25367 H1 TIP3 8727 27.954 -14.777 -12.233 1.00 0.00 WT1 H ATOM 25368 H2 TIP3 8727 3.477 -16.886 -3.729 1.00 0.00 WT1 H ATOM 25369 OH2 TIP3 8728 -4.656 0.188 -3.047 1.00 0.00 WT1 O ATOM 25370 H1 TIP3 8728 -3.968 10.795 -16.147 1.00 0.00 WT1 H ATOM 25371 H2 TIP3 8728 -4.088 -0.732 0.113 1.00 0.00 WT1 H ATOM 25372 OH2 TIP3 8729 -2.396 -7.403 -10.296 1.00 0.00 WT1 O ATOM 25373 H1 TIP3 8729 3.265 9.891 -6.960 1.00 0.00 WT1 H ATOM 25374 H2 TIP3 8729 -9.773 -42.791 -1.110 1.00 0.00 WT1 H ATOM 25375 OH2 TIP3 8730 2.169 -3.083 5.138 1.00 0.00 WT1 O ATOM 25376 H1 TIP3 8730 1.825 -3.455 5.991 1.00 0.00 WT1 H ATOM 25377 H2 TIP3 8730 10.358 11.624 3.920 1.00 0.00 WT1 H ATOM 25378 OH2 TIP3 8731 1.517 -3.077 -3.922 1.00 0.00 WT1 O ATOM 25379 H1 TIP3 8731 -14.454 5.996 -13.895 1.00 0.00 WT1 H ATOM 25380 H2 TIP3 8731 -13.913 -24.260 29.168 1.00 0.00 WT1 H ATOM 25381 OH2 TIP3 8732 -4.030 -2.925 -1.641 1.00 0.00 WT1 O ATOM 25382 H1 TIP3 8732 -0.822 -4.866 -1.977 1.00 0.00 WT1 H ATOM 25383 H2 TIP3 8732 -8.771 -0.106 -3.019 1.00 0.00 WT1 H ATOM 25384 OH2 TIP3 8733 3.692 7.133 -1.988 1.00 0.00 WT1 O ATOM 25385 H1 TIP3 8733 -8.460 6.061 -12.572 1.00 0.00 WT1 H ATOM 25386 H2 TIP3 8733 -8.984 0.723 19.550 1.00 0.00 WT1 H ATOM 25387 OH2 TIP3 8734 -1.309 1.592 3.275 1.00 0.00 WT1 O ATOM 25388 H1 TIP3 8734 1.669 3.492 3.172 1.00 0.00 WT1 H ATOM 25389 H2 TIP3 8734 -5.768 -0.358 -4.710 1.00 0.00 WT1 H ATOM 25390 OH2 TIP3 8735 1.981 -5.910 5.551 1.00 0.00 WT1 O ATOM 25391 H1 TIP3 8735 -13.600 10.985 6.347 1.00 0.00 WT1 H ATOM 25392 H2 TIP3 8735 -10.666 10.539 29.113 1.00 0.00 WT1 H ATOM 25393 OH2 TIP3 8736 1.115 -3.389 7.783 1.00 0.00 WT1 O ATOM 25394 H1 TIP3 8736 -8.844 -2.951 9.612 1.00 0.00 WT1 H ATOM 25395 H2 TIP3 8736 -5.318 -14.104 6.154 1.00 0.00 WT1 H ATOM 25396 OH2 TIP3 8737 0.974 6.132 -7.825 1.00 0.00 WT1 O ATOM 25397 H1 TIP3 8737 -7.520 -12.772 -3.219 1.00 0.00 WT1 H ATOM 25398 H2 TIP3 8737 -6.734 -5.046 0.762 1.00 0.00 WT1 H ATOM 25399 OH2 TIP3 8738 1.706 -5.246 -1.367 1.00 0.00 WT1 O ATOM 25400 H1 TIP3 8738 28.734 15.439 7.691 1.00 0.00 WT1 H ATOM 25401 H2 TIP3 8738 1.734 2.832 -8.212 1.00 0.00 WT1 H ATOM 25402 OH2 TIP3 8739 -3.630 2.886 -0.473 1.00 0.00 WT1 O ATOM 25403 H1 TIP3 8739 -12.044 0.424 -13.124 1.00 0.00 WT1 H ATOM 25404 H2 TIP3 8739 -2.006 4.034 4.542 1.00 0.00 WT1 H ATOM 25405 OH2 TIP3 8740 4.974 -4.837 -3.233 1.00 0.00 WT1 O ATOM 25406 H1 TIP3 8740 13.147 -1.279 22.408 1.00 0.00 WT1 H ATOM 25407 H2 TIP3 8740 8.074 4.126 -8.092 1.00 0.00 WT1 H ATOM 25408 OH2 TIP3 8741 3.500 -3.990 5.520 1.00 0.00 WT1 O ATOM 25409 H1 TIP3 8741 -0.045 -12.702 -14.249 1.00 0.00 WT1 H ATOM 25410 H2 TIP3 8741 9.107 -16.649 -5.393 1.00 0.00 WT1 H ATOM 25411 OH2 TIP3 8742 2.909 3.033 -3.780 1.00 0.00 WT1 O ATOM 25412 H1 TIP3 8742 -14.336 19.067 0.512 1.00 0.00 WT1 H ATOM 25413 H2 TIP3 8742 -2.795 2.216 -3.949 1.00 0.00 WT1 H ATOM 25414 OH2 TIP3 8743 3.806 -0.229 -1.537 1.00 0.00 WT1 O ATOM 25415 H1 TIP3 8743 -6.555 6.795 -1.617 1.00 0.00 WT1 H ATOM 25416 H2 TIP3 8743 5.450 -4.192 -14.227 1.00 0.00 WT1 H ATOM 25417 OH2 TIP3 8744 2.126 -4.849 0.751 1.00 0.00 WT1 O ATOM 25418 H1 TIP3 8744 0.507 -5.447 -9.941 1.00 0.00 WT1 H ATOM 25419 H2 TIP3 8744 -12.674 -16.426 -12.042 1.00 0.00 WT1 H ATOM 25420 OH2 TIP3 8745 -5.318 2.267 -2.946 1.00 0.00 WT1 O ATOM 25421 H1 TIP3 8745 -7.607 20.580 25.546 1.00 0.00 WT1 H ATOM 25422 H2 TIP3 8745 -18.490 -3.437 14.339 1.00 0.00 WT1 H ATOM 25423 OH2 TIP3 8746 -3.234 6.513 0.440 1.00 0.00 WT1 O ATOM 25424 H1 TIP3 8746 10.604 -4.528 -4.479 1.00 0.00 WT1 H ATOM 25425 H2 TIP3 8746 -18.820 3.123 -11.466 1.00 0.00 WT1 H ATOM 25426 OH2 TIP3 8747 3.193 2.781 6.570 1.00 0.00 WT1 O ATOM 25427 H1 TIP3 8747 4.510 -7.955 -0.169 1.00 0.00 WT1 H ATOM 25428 H2 TIP3 8747 2.593 1.347 7.643 1.00 0.00 WT1 H ATOM 25429 OH2 TIP3 8748 -1.442 -1.753 -0.392 1.00 0.00 WT1 O ATOM 25430 H1 TIP3 8748 0.137 -3.367 -19.288 1.00 0.00 WT1 H ATOM 25431 H2 TIP3 8748 -2.142 -1.981 8.854 1.00 0.00 WT1 H ATOM 25432 OH2 TIP3 8749 3.307 5.526 0.759 1.00 0.00 WT1 O ATOM 25433 H1 TIP3 8749 -9.493 2.168 12.821 1.00 0.00 WT1 H ATOM 25434 H2 TIP3 8749 -21.767 22.651 9.303 1.00 0.00 WT1 H ATOM 25435 OH2 TIP3 8750 0.493 -1.596 -2.048 1.00 0.00 WT1 O ATOM 25436 H1 TIP3 8750 -9.153 -7.938 -1.215 1.00 0.00 WT1 H ATOM 25437 H2 TIP3 8750 -0.049 9.429 2.648 1.00 0.00 WT1 H ATOM 25438 OH2 TIP3 8751 2.060 -1.200 1.155 1.00 0.00 WT1 O ATOM 25439 H1 TIP3 8751 23.306 -15.834 -19.367 1.00 0.00 WT1 H ATOM 25440 H2 TIP3 8751 -8.717 4.869 8.016 1.00 0.00 WT1 H ATOM 25441 OH2 TIP3 8752 2.466 4.232 -0.748 1.00 0.00 WT1 O ATOM 25442 H1 TIP3 8752 -0.269 -2.566 6.589 1.00 0.00 WT1 H ATOM 25443 H2 TIP3 8752 -14.877 20.647 4.828 1.00 0.00 WT1 H ATOM 25444 OH2 TIP3 8753 -0.500 -2.959 -3.477 1.00 0.00 WT1 O ATOM 25445 H1 TIP3 8753 -28.540 1.894 5.463 1.00 0.00 WT1 H ATOM 25446 H2 TIP3 8753 -8.937 18.791 -4.637 1.00 0.00 WT1 H ATOM 25447 OH2 TIP3 8754 -2.811 -1.048 -0.465 1.00 0.00 WT1 O ATOM 25448 H1 TIP3 8754 8.320 9.348 -3.017 1.00 0.00 WT1 H ATOM 25449 H2 TIP3 8754 1.459 -15.740 -14.034 1.00 0.00 WT1 H ATOM 25450 OH2 TIP3 8755 1.481 -2.989 6.061 1.00 0.00 WT1 O ATOM 25451 H1 TIP3 8755 2.722 -2.084 13.456 1.00 0.00 WT1 H ATOM 25452 H2 TIP3 8755 -4.801 7.033 1.069 1.00 0.00 WT1 H ATOM 25453 OH2 TIP3 8756 -3.482 -3.871 -3.335 1.00 0.00 WT1 O ATOM 25454 H1 TIP3 8756 13.617 -11.671 6.930 1.00 0.00 WT1 H ATOM 25455 H2 TIP3 8756 12.130 7.271 10.603 1.00 0.00 WT1 H ATOM 25456 OH2 TIP3 8757 4.010 -0.372 -2.720 1.00 0.00 WT1 O ATOM 25457 H1 TIP3 8757 3.482 -4.103 0.687 1.00 0.00 WT1 H ATOM 25458 H2 TIP3 8757 -14.267 3.447 3.149 1.00 0.00 WT1 H ATOM 25459 OH2 TIP3 8758 4.742 -1.796 6.676 1.00 0.00 WT1 O ATOM 25460 H1 TIP3 8758 14.644 -1.492 3.485 1.00 0.00 WT1 H ATOM 25461 H2 TIP3 8758 8.570 -2.190 4.331 1.00 0.00 WT1 H ATOM 25462 OH2 TIP3 8759 -2.686 0.799 1.117 1.00 0.00 WT1 O ATOM 25463 H1 TIP3 8759 -26.106 9.815 -1.014 1.00 0.00 WT1 H ATOM 25464 H2 TIP3 8759 2.597 1.261 -7.782 1.00 0.00 WT1 H ATOM 25465 OH2 TIP3 8760 4.393 2.118 -0.252 1.00 0.00 WT1 O ATOM 25466 H1 TIP3 8760 -30.680 -0.105 7.261 1.00 0.00 WT1 H ATOM 25467 H2 TIP3 8760 11.412 -2.052 14.601 1.00 0.00 WT1 H ATOM 25468 OH2 TIP3 8761 -2.388 1.374 3.107 1.00 0.00 WT1 O ATOM 25469 H1 TIP3 8761 5.694 0.426 -10.026 1.00 0.00 WT1 H ATOM 25470 H2 TIP3 8761 -2.913 -0.855 3.208 1.00 0.00 WT1 H ATOM 25471 OH2 TIP3 8762 0.946 1.571 7.021 1.00 0.00 WT1 O ATOM 25472 H1 TIP3 8762 -10.190 -30.804 5.103 1.00 0.00 WT1 H ATOM 25473 H2 TIP3 8762 6.057 2.844 14.977 1.00 0.00 WT1 H ATOM 25474 OH2 TIP3 8763 -3.406 3.329 -5.399 1.00 0.00 WT1 O ATOM 25475 H1 TIP3 8763 -12.265 9.222 18.174 1.00 0.00 WT1 H ATOM 25476 H2 TIP3 8763 -5.203 4.039 -2.759 1.00 0.00 WT1 H ATOM 25477 OH2 TIP3 8764 0.380 0.635 3.888 1.00 0.00 WT1 O ATOM 25478 H1 TIP3 8764 10.114 9.883 -20.375 1.00 0.00 WT1 H ATOM 25479 H2 TIP3 8764 6.855 -29.259 4.248 1.00 0.00 WT1 H ATOM 25480 OH2 TIP3 8765 2.734 8.196 2.041 1.00 0.00 WT1 O ATOM 25481 H1 TIP3 8765 17.500 11.825 -4.197 1.00 0.00 WT1 H ATOM 25482 H2 TIP3 8765 10.098 13.091 -5.127 1.00 0.00 WT1 H ATOM 25483 OH2 TIP3 8766 -1.264 -4.397 4.032 1.00 0.00 WT1 O ATOM 25484 H1 TIP3 8766 3.933 -2.295 6.416 1.00 0.00 WT1 H ATOM 25485 H2 TIP3 8766 0.111 -5.563 -2.019 1.00 0.00 WT1 H ATOM 25486 OH2 TIP3 8767 -4.175 0.051 6.026 1.00 0.00 WT1 O ATOM 25487 H1 TIP3 8767 -0.982 4.171 12.990 1.00 0.00 WT1 H ATOM 25488 H2 TIP3 8767 -10.611 -3.200 8.466 1.00 0.00 WT1 H ATOM 25489 OH2 TIP3 8768 -2.430 -2.099 -1.495 1.00 0.00 WT1 O ATOM 25490 H1 TIP3 8768 1.290 -1.022 2.398 1.00 0.00 WT1 H ATOM 25491 H2 TIP3 8768 -3.415 -14.928 -1.635 1.00 0.00 WT1 H ATOM 25492 OH2 TIP3 8769 0.248 5.412 0.814 1.00 0.00 WT1 O ATOM 25493 H1 TIP3 8769 10.552 7.129 0.320 1.00 0.00 WT1 H ATOM 25494 H2 TIP3 8769 -4.330 -3.719 -5.720 1.00 0.00 WT1 H ATOM 25495 OH2 TIP3 8770 -0.710 -2.098 -8.932 1.00 0.00 WT1 O ATOM 25496 H1 TIP3 8770 12.951 11.607 -7.403 1.00 0.00 WT1 H ATOM 25497 H2 TIP3 8770 10.037 30.482 -16.046 1.00 0.00 WT1 H ATOM 25498 OH2 TIP3 8771 -0.698 -3.598 6.472 1.00 0.00 WT1 O ATOM 25499 H1 TIP3 8771 6.904 -3.089 1.721 1.00 0.00 WT1 H ATOM 25500 H2 TIP3 8771 1.120 2.180 13.761 1.00 0.00 WT1 H ATOM 25501 OH2 TIP3 8772 -3.100 -1.128 -4.293 1.00 0.00 WT1 O ATOM 25502 H1 TIP3 8772 -1.024 22.319 -8.636 1.00 0.00 WT1 H ATOM 25503 H2 TIP3 8772 -7.211 2.337 -13.097 1.00 0.00 WT1 H ATOM 25504 OH2 TIP3 8773 1.221 -0.611 -0.812 1.00 0.00 WT1 O ATOM 25505 H1 TIP3 8773 8.016 -1.518 4.784 1.00 0.00 WT1 H ATOM 25506 H2 TIP3 8773 8.668 1.671 -13.555 1.00 0.00 WT1 H ATOM 25507 OH2 TIP3 8774 2.971 -5.921 4.901 1.00 0.00 WT1 O ATOM 25508 H1 TIP3 8774 -12.037 -9.285 -9.116 1.00 0.00 WT1 H ATOM 25509 H2 TIP3 8774 8.405 -22.385 13.397 1.00 0.00 WT1 H ATOM 25510 OH2 TIP3 8775 -0.868 0.269 5.629 1.00 0.00 WT1 O ATOM 25511 H1 TIP3 8775 -0.126 -5.701 3.815 1.00 0.00 WT1 H ATOM 25512 H2 TIP3 8775 11.488 -11.722 -23.900 1.00 0.00 WT1 H ATOM 25513 OH2 TIP3 8776 -0.806 -4.831 -1.040 1.00 0.00 WT1 O ATOM 25514 H1 TIP3 8776 5.411 -8.842 6.587 1.00 0.00 WT1 H ATOM 25515 H2 TIP3 8776 1.611 -9.663 2.605 1.00 0.00 WT1 H ATOM 25516 OH2 TIP3 8777 1.088 0.619 -3.307 1.00 0.00 WT1 O ATOM 25517 H1 TIP3 8777 0.128 -5.545 -7.435 1.00 0.00 WT1 H ATOM 25518 H2 TIP3 8777 7.928 3.534 9.604 1.00 0.00 WT1 H ATOM 25519 OH2 TIP3 8778 -11.357 6.689 4.549 1.00 0.00 WT1 O ATOM 25520 H1 TIP3 8778 -12.963 17.886 2.540 1.00 0.00 WT1 H ATOM 25521 H2 TIP3 8778 -1.797 -7.730 6.529 1.00 0.00 WT1 H ATOM 25522 OH2 TIP3 8779 2.008 3.259 -6.572 1.00 0.00 WT1 O ATOM 25523 H1 TIP3 8779 -8.803 4.430 -4.545 1.00 0.00 WT1 H ATOM 25524 H2 TIP3 8779 12.833 -16.447 21.078 1.00 0.00 WT1 H ATOM 25525 OH2 TIP3 8780 6.645 -3.861 4.000 1.00 0.00 WT1 O ATOM 25526 H1 TIP3 8780 -11.299 -9.805 7.755 1.00 0.00 WT1 H ATOM 25527 H2 TIP3 8780 3.324 -1.815 -7.792 1.00 0.00 WT1 H ATOM 25528 OH2 TIP3 8781 1.451 -5.837 1.568 1.00 0.00 WT1 O ATOM 25529 H1 TIP3 8781 -1.560 -3.275 -9.378 1.00 0.00 WT1 H ATOM 25530 H2 TIP3 8781 2.217 -1.975 -8.759 1.00 0.00 WT1 H ATOM 25531 OH2 TIP3 8782 0.120 5.420 1.251 1.00 0.00 WT1 O ATOM 25532 H1 TIP3 8782 3.437 10.834 4.832 1.00 0.00 WT1 H ATOM 25533 H2 TIP3 8782 -7.254 5.319 -0.669 1.00 0.00 WT1 H ATOM 25534 OH2 TIP3 8783 10.463 -2.606 -7.074 1.00 0.00 WT1 O ATOM 25535 H1 TIP3 8783 -12.984 -13.206 -9.009 1.00 0.00 WT1 H ATOM 25536 H2 TIP3 8783 25.912 -22.542 -14.297 1.00 0.00 WT1 H ATOM 25537 OH2 TIP3 8784 1.438 2.093 2.578 1.00 0.00 WT1 O ATOM 25538 H1 TIP3 8784 9.979 2.002 -13.733 1.00 0.00 WT1 H ATOM 25539 H2 TIP3 8784 -13.428 15.696 14.437 1.00 0.00 WT1 H ATOM 25540 OH2 TIP3 8785 -6.628 7.362 -1.368 1.00 0.00 WT1 O ATOM 25541 H1 TIP3 8785 15.823 8.629 2.920 1.00 0.00 WT1 H ATOM 25542 H2 TIP3 8785 -2.187 -6.392 14.041 1.00 0.00 WT1 H ATOM 25543 OH2 TIP3 8786 4.554 -2.153 -0.137 1.00 0.00 WT1 O ATOM 25544 H1 TIP3 8786 -1.802 10.252 14.012 1.00 0.00 WT1 H ATOM 25545 H2 TIP3 8786 5.154 3.304 4.876 1.00 0.00 WT1 H ATOM 25546 OH2 TIP3 8787 3.467 6.076 5.622 1.00 0.00 WT1 O ATOM 25547 H1 TIP3 8787 7.589 4.103 0.931 1.00 0.00 WT1 H ATOM 25548 H2 TIP3 8787 4.132 -5.964 15.973 1.00 0.00 WT1 H ATOM 25549 OH2 TIP3 8788 2.254 3.102 -6.012 1.00 0.00 WT1 O ATOM 25550 H1 TIP3 8788 4.551 3.384 2.190 1.00 0.00 WT1 H ATOM 25551 H2 TIP3 8788 7.790 -0.052 -3.093 1.00 0.00 WT1 H ATOM 25552 OH2 TIP3 8789 3.475 5.898 3.682 1.00 0.00 WT1 O ATOM 25553 H1 TIP3 8789 14.666 -11.544 -19.773 1.00 0.00 WT1 H ATOM 25554 H2 TIP3 8789 -2.256 26.445 -21.843 1.00 0.00 WT1 H ATOM 25555 OH2 TIP3 8790 -3.931 -1.946 0.716 1.00 0.00 WT1 O ATOM 25556 H1 TIP3 8790 12.084 -15.541 20.203 1.00 0.00 WT1 H ATOM 25557 H2 TIP3 8790 15.217 -5.530 10.681 1.00 0.00 WT1 H ATOM 25558 OH2 TIP3 8791 -5.334 -5.972 -2.263 1.00 0.00 WT1 O ATOM 25559 H1 TIP3 8791 -13.792 -6.062 7.769 1.00 0.00 WT1 H ATOM 25560 H2 TIP3 8791 -15.163 -5.841 9.644 1.00 0.00 WT1 H ATOM 25561 OH2 TIP3 8793 -4.657 1.661 -6.520 1.00 0.00 WT1 O ATOM 25562 H1 TIP3 8793 -1.704 -2.596 -5.211 1.00 0.00 WT1 H ATOM 25563 H2 TIP3 8793 -18.400 -7.036 -6.741 1.00 0.00 WT1 H ATOM 25564 OH2 TIP3 8794 -0.907 -0.981 -2.865 1.00 0.00 WT1 O ATOM 25565 H1 TIP3 8794 6.950 -6.512 12.131 1.00 0.00 WT1 H ATOM 25566 H2 TIP3 8794 13.273 -7.691 19.233 1.00 0.00 WT1 H ATOM 25567 OH2 TIP3 8795 -5.466 -4.828 7.642 1.00 0.00 WT1 O ATOM 25568 H1 TIP3 8795 -25.127 -7.389 -0.692 1.00 0.00 WT1 H ATOM 25569 H2 TIP3 8795 -13.330 -1.129 2.196 1.00 0.00 WT1 H ATOM 25570 OH2 TIP3 8797 -2.974 0.514 1.791 1.00 0.00 WT1 O ATOM 25571 H1 TIP3 8797 -6.808 -8.219 2.305 1.00 0.00 WT1 H ATOM 25572 H2 TIP3 8797 1.662 7.158 1.381 1.00 0.00 WT1 H ATOM 25573 OH2 TIP3 8798 1.552 -1.825 -0.686 1.00 0.00 WT1 O ATOM 25574 H1 TIP3 8798 -22.925 15.341 -12.820 1.00 0.00 WT1 H ATOM 25575 H2 TIP3 8798 -18.610 -27.778 9.680 1.00 0.00 WT1 H ATOM 25576 OH2 TIP3 8799 1.664 -0.498 -0.033 1.00 0.00 WT1 O ATOM 25577 H1 TIP3 8799 25.476 3.468 -15.380 1.00 0.00 WT1 H ATOM 25578 H2 TIP3 8799 -0.013 10.062 -5.821 1.00 0.00 WT1 H ATOM 25579 OH2 TIP3 8800 2.891 3.169 0.466 1.00 0.00 WT1 O ATOM 25580 H1 TIP3 8800 0.832 13.095 0.381 1.00 0.00 WT1 H ATOM 25581 H2 TIP3 8800 -5.347 -2.214 -2.399 1.00 0.00 WT1 H ATOM 25582 OH2 TIP3 8801 -2.429 -1.251 8.545 1.00 0.00 WT1 O ATOM 25583 H1 TIP3 8801 -3.306 -0.523 8.358 1.00 0.00 WT1 H ATOM 25584 H2 TIP3 8801 1.940 3.548 -0.515 1.00 0.00 WT1 H ATOM 25585 OH2 TIP3 8802 -1.249 -2.510 2.658 1.00 0.00 WT1 O ATOM 25586 H1 TIP3 8802 8.997 20.713 -22.714 1.00 0.00 WT1 H ATOM 25587 H2 TIP3 8802 -6.837 -9.135 9.987 1.00 0.00 WT1 H ATOM 25588 OH2 TIP3 8803 -1.411 -1.423 -4.444 1.00 0.00 WT1 O ATOM 25589 H1 TIP3 8803 -6.311 -6.844 -1.171 1.00 0.00 WT1 H ATOM 25590 H2 TIP3 8803 -9.553 -0.443 -6.828 1.00 0.00 WT1 H ATOM 25591 OH2 TIP3 8804 -7.368 0.992 4.859 1.00 0.00 WT1 O ATOM 25592 H1 TIP3 8804 3.386 0.352 2.754 1.00 0.00 WT1 H ATOM 25593 H2 TIP3 8804 -2.482 -18.735 -7.377 1.00 0.00 WT1 H ATOM 25594 OH2 TIP3 8805 -0.508 1.286 1.368 1.00 0.00 WT1 O ATOM 25595 H1 TIP3 8805 10.918 -1.358 7.355 1.00 0.00 WT1 H ATOM 25596 H2 TIP3 8805 15.014 -2.309 -2.899 1.00 0.00 WT1 H ATOM 25597 OH2 TIP3 8806 2.615 -5.271 5.534 1.00 0.00 WT1 O ATOM 25598 H1 TIP3 8806 -2.701 -9.504 0.531 1.00 0.00 WT1 H ATOM 25599 H2 TIP3 8806 5.355 6.535 13.676 1.00 0.00 WT1 H ATOM 25600 OH2 TIP3 8808 0.100 -1.735 -4.528 1.00 0.00 WT1 O ATOM 25601 H1 TIP3 8808 30.550 -23.965 -11.620 1.00 0.00 WT1 H ATOM 25602 H2 TIP3 8808 16.310 -0.085 12.505 1.00 0.00 WT1 H ATOM 25603 OH2 TIP3 8809 2.669 -0.826 2.098 1.00 0.00 WT1 O ATOM 25604 H1 TIP3 8809 12.357 -7.605 5.528 1.00 0.00 WT1 H ATOM 25605 H2 TIP3 8809 -4.182 -3.141 14.238 1.00 0.00 WT1 H ATOM 25606 OH2 TIP3 8810 -1.440 1.424 2.240 1.00 0.00 WT1 O ATOM 25607 H1 TIP3 8810 -14.582 1.008 1.114 1.00 0.00 WT1 H ATOM 25608 H2 TIP3 8810 36.487 4.056 5.611 1.00 0.00 WT1 H ATOM 25609 OH2 TIP3 8811 -2.804 -2.457 -0.271 1.00 0.00 WT1 O ATOM 25610 H1 TIP3 8811 6.044 -7.306 5.887 1.00 0.00 WT1 H ATOM 25611 H2 TIP3 8811 -12.258 8.768 4.769 1.00 0.00 WT1 H ATOM 25612 OH2 TIP3 8812 1.979 4.448 -2.777 1.00 0.00 WT1 O ATOM 25613 H1 TIP3 8812 -10.113 8.834 9.120 1.00 0.00 WT1 H ATOM 25614 H2 TIP3 8812 10.274 -12.269 4.343 1.00 0.00 WT1 H ATOM 25615 OH2 TIP3 8813 -0.975 -7.346 4.669 1.00 0.00 WT1 O ATOM 25616 H1 TIP3 8813 -21.423 20.049 5.678 1.00 0.00 WT1 H ATOM 25617 H2 TIP3 8813 -1.553 -5.410 6.615 1.00 0.00 WT1 H ATOM 25618 OH2 TIP3 8815 -0.514 -1.247 0.246 1.00 0.00 WT1 O ATOM 25619 H1 TIP3 8815 3.842 -2.501 -7.423 1.00 0.00 WT1 H ATOM 25620 H2 TIP3 8815 -0.216 0.879 -9.742 1.00 0.00 WT1 H ATOM 25621 OH2 TIP3 8816 1.574 -3.590 6.842 1.00 0.00 WT1 O ATOM 25622 H1 TIP3 8816 -1.625 -0.634 4.150 1.00 0.00 WT1 H ATOM 25623 H2 TIP3 8816 -18.338 -2.091 0.044 1.00 0.00 WT1 H ATOM 25624 OH2 TIP3 8817 9.129 0.154 2.524 1.00 0.00 WT1 O ATOM 25625 H1 TIP3 8817 1.690 -0.809 -17.795 1.00 0.00 WT1 H ATOM 25626 H2 TIP3 8817 8.798 -2.570 11.473 1.00 0.00 WT1 H ATOM 25627 OH2 TIP3 8818 6.973 -0.286 1.917 1.00 0.00 WT1 O ATOM 25628 H1 TIP3 8818 7.970 -4.278 -4.377 1.00 0.00 WT1 H ATOM 25629 H2 TIP3 8818 6.938 14.964 4.582 1.00 0.00 WT1 H ATOM 25630 OH2 TIP3 8819 4.395 0.906 2.683 1.00 0.00 WT1 O ATOM 25631 H1 TIP3 8819 4.130 -7.425 -15.502 1.00 0.00 WT1 H ATOM 25632 H2 TIP3 8819 16.513 11.067 -1.394 1.00 0.00 WT1 H ATOM 25633 OH2 TIP3 8820 4.589 8.032 -3.020 1.00 0.00 WT1 O ATOM 25634 H1 TIP3 8820 -3.230 26.069 6.916 1.00 0.00 WT1 H ATOM 25635 H2 TIP3 8820 3.226 -5.926 -14.309 1.00 0.00 WT1 H ATOM 25636 OH2 TIP3 8821 5.286 5.098 -0.002 1.00 0.00 WT1 O ATOM 25637 H1 TIP3 8821 -22.964 -1.266 10.495 1.00 0.00 WT1 H ATOM 25638 H2 TIP3 8821 -3.085 12.303 -3.834 1.00 0.00 WT1 H ATOM 25639 OH2 TIP3 8822 -6.842 -0.648 9.437 1.00 0.00 WT1 O ATOM 25640 H1 TIP3 8822 -14.763 -3.419 -8.014 1.00 0.00 WT1 H ATOM 25641 H2 TIP3 8822 13.975 0.560 0.094 1.00 0.00 WT1 H ATOM 25642 OH2 TIP3 8823 5.745 -2.463 -1.118 1.00 0.00 WT1 O ATOM 25643 H1 TIP3 8823 -2.334 -9.087 -0.625 1.00 0.00 WT1 H ATOM 25644 H2 TIP3 8823 9.954 11.611 -12.892 1.00 0.00 WT1 H ATOM 25645 OH2 TIP3 8824 1.131 -2.331 -0.874 1.00 0.00 WT1 O ATOM 25646 H1 TIP3 8824 -6.617 -7.466 9.866 1.00 0.00 WT1 H ATOM 25647 H2 TIP3 8824 23.771 7.601 -4.548 1.00 0.00 WT1 H ATOM 25648 OH2 TIP3 8825 5.923 2.284 -7.470 1.00 0.00 WT1 O ATOM 25649 H1 TIP3 8825 8.388 4.231 -10.937 1.00 0.00 WT1 H ATOM 25650 H2 TIP3 8825 -1.877 6.095 10.020 1.00 0.00 WT1 H ATOM 25651 OH2 TIP3 8827 -6.597 -0.507 0.637 1.00 0.00 WT1 O ATOM 25652 H1 TIP3 8827 -3.215 -8.850 1.226 1.00 0.00 WT1 H ATOM 25653 H2 TIP3 8827 -5.227 10.413 2.654 1.00 0.00 WT1 H ATOM 25654 OH2 TIP3 8828 5.629 -3.181 3.846 1.00 0.00 WT1 O ATOM 25655 H1 TIP3 8828 -23.257 -26.586 -3.237 1.00 0.00 WT1 H ATOM 25656 H2 TIP3 8828 -16.097 -1.691 -0.677 1.00 0.00 WT1 H ATOM 25657 OH2 TIP3 8829 -2.135 -6.803 -1.829 1.00 0.00 WT1 O ATOM 25658 H1 TIP3 8829 -19.104 0.138 -0.873 1.00 0.00 WT1 H ATOM 25659 H2 TIP3 8829 5.039 16.584 6.936 1.00 0.00 WT1 H ATOM 25660 OH2 TIP3 8830 5.694 -2.261 -4.394 1.00 0.00 WT1 O ATOM 25661 H1 TIP3 8830 11.289 1.571 -0.772 1.00 0.00 WT1 H ATOM 25662 H2 TIP3 8830 -9.518 -10.819 -12.485 1.00 0.00 WT1 H ATOM 25663 OH2 TIP3 8832 3.545 -9.688 -4.809 1.00 0.00 WT1 O ATOM 25664 H1 TIP3 8832 7.941 -28.783 10.926 1.00 0.00 WT1 H ATOM 25665 H2 TIP3 8832 10.758 -17.990 7.787 1.00 0.00 WT1 H ATOM 25666 OH2 TIP3 8833 -6.585 3.713 7.776 1.00 0.00 WT1 O ATOM 25667 H1 TIP3 8833 -0.236 11.022 -1.621 1.00 0.00 WT1 H ATOM 25668 H2 TIP3 8833 -5.870 -1.034 2.494 1.00 0.00 WT1 H ATOM 25669 OH2 TIP3 8834 -3.667 -1.838 -2.766 1.00 0.00 WT1 O ATOM 25670 H1 TIP3 8834 1.305 9.117 -16.292 1.00 0.00 WT1 H ATOM 25671 H2 TIP3 8834 3.277 5.528 -13.586 1.00 0.00 WT1 H ATOM 25672 OH2 TIP3 8835 -1.328 -1.284 4.641 1.00 0.00 WT1 O ATOM 25673 H1 TIP3 8835 -15.158 -5.432 3.978 1.00 0.00 WT1 H ATOM 25674 H2 TIP3 8835 2.866 15.283 16.629 1.00 0.00 WT1 H ATOM 25675 OH2 TIP3 8836 2.112 0.785 -0.508 1.00 0.00 WT1 O ATOM 25676 H1 TIP3 8836 -4.160 1.606 16.028 1.00 0.00 WT1 H ATOM 25677 H2 TIP3 8836 12.715 -4.471 -14.132 1.00 0.00 WT1 H ATOM 25678 OH2 TIP3 8837 0.392 -9.781 4.018 1.00 0.00 WT1 O ATOM 25679 H1 TIP3 8837 -5.402 -2.537 -18.300 1.00 0.00 WT1 H ATOM 25680 H2 TIP3 8837 -8.356 -12.979 1.476 1.00 0.00 WT1 H ATOM 25681 OH2 TIP3 8839 3.646 -3.175 -0.105 1.00 0.00 WT1 O ATOM 25682 H1 TIP3 8839 4.763 -2.230 -2.109 1.00 0.00 WT1 H ATOM 25683 H2 TIP3 8839 18.425 -1.609 -12.636 1.00 0.00 WT1 H ATOM 25684 OH2 TIP3 8840 3.065 4.626 1.112 1.00 0.00 WT1 O ATOM 25685 H1 TIP3 8840 4.682 26.392 16.552 1.00 0.00 WT1 H ATOM 25686 H2 TIP3 8840 -17.782 -8.967 12.343 1.00 0.00 WT1 H ATOM 25687 OH2 TIP3 8841 0.063 -0.192 1.443 1.00 0.00 WT1 O ATOM 25688 H1 TIP3 8841 -5.638 -14.321 -1.294 1.00 0.00 WT1 H ATOM 25689 H2 TIP3 8841 5.135 10.154 8.508 1.00 0.00 WT1 H ATOM 25690 OH2 TIP3 8842 3.115 1.818 -4.482 1.00 0.00 WT1 O ATOM 25691 H1 TIP3 8842 -19.052 -22.186 -7.904 1.00 0.00 WT1 H ATOM 25692 H2 TIP3 8842 22.753 -13.691 3.663 1.00 0.00 WT1 H ATOM 25693 OH2 TIP3 8843 -6.350 -0.928 0.347 1.00 0.00 WT1 O ATOM 25694 H1 TIP3 8843 1.912 -3.103 10.095 1.00 0.00 WT1 H ATOM 25695 H2 TIP3 8843 11.431 5.347 13.766 1.00 0.00 WT1 H ATOM 25696 OH2 TIP3 8844 -1.376 -0.724 -1.507 1.00 0.00 WT1 O ATOM 25697 H1 TIP3 8844 -24.262 -0.607 -8.971 1.00 0.00 WT1 H ATOM 25698 H2 TIP3 8844 16.291 8.866 -0.470 1.00 0.00 WT1 H ATOM 25699 OH2 TIP3 8845 -4.665 3.274 -3.901 1.00 0.00 WT1 O ATOM 25700 H1 TIP3 8845 17.318 2.119 2.846 1.00 0.00 WT1 H ATOM 25701 H2 TIP3 8845 8.247 7.518 -2.449 1.00 0.00 WT1 H ATOM 25702 OH2 TIP3 8846 1.855 -0.675 5.646 1.00 0.00 WT1 O ATOM 25703 H1 TIP3 8846 3.453 0.358 3.354 1.00 0.00 WT1 H ATOM 25704 H2 TIP3 8846 0.111 2.072 -7.522 1.00 0.00 WT1 H ATOM 25705 OH2 TIP3 8847 9.439 5.639 -1.775 1.00 0.00 WT1 O ATOM 25706 H1 TIP3 8847 2.904 1.649 16.765 1.00 0.00 WT1 H ATOM 25707 H2 TIP3 8847 9.393 -14.392 -7.130 1.00 0.00 WT1 H ATOM 25708 OH2 TIP3 8848 -2.355 -3.842 2.085 1.00 0.00 WT1 O ATOM 25709 H1 TIP3 8848 -16.970 -2.076 -5.615 1.00 0.00 WT1 H ATOM 25710 H2 TIP3 8848 4.697 -6.070 19.138 1.00 0.00 WT1 H ATOM 25711 OH2 TIP3 8849 11.282 -1.628 2.538 1.00 0.00 WT1 O ATOM 25712 H1 TIP3 8849 12.255 -10.578 -3.423 1.00 0.00 WT1 H ATOM 25713 H2 TIP3 8849 6.048 -1.881 4.375 1.00 0.00 WT1 H ATOM 25714 OH2 TIP3 8850 -2.381 -2.459 0.314 1.00 0.00 WT1 O ATOM 25715 H1 TIP3 8850 9.071 -7.978 8.563 1.00 0.00 WT1 H ATOM 25716 H2 TIP3 8850 -7.081 -0.466 -3.441 1.00 0.00 WT1 H ATOM 25717 OH2 TIP3 8851 -1.812 0.889 -2.248 1.00 0.00 WT1 O ATOM 25718 H1 TIP3 8851 2.673 0.649 -18.338 1.00 0.00 WT1 H ATOM 25719 H2 TIP3 8851 -2.833 3.849 6.466 1.00 0.00 WT1 H ATOM 25720 OH2 TIP3 8852 -3.666 3.151 7.009 1.00 0.00 WT1 O ATOM 25721 H1 TIP3 8852 5.941 5.263 18.393 1.00 0.00 WT1 H ATOM 25722 H2 TIP3 8852 2.292 2.491 0.618 1.00 0.00 WT1 H ATOM 25723 OH2 TIP3 8853 2.693 3.959 -2.347 1.00 0.00 WT1 O ATOM 25724 H1 TIP3 8853 -0.327 14.441 4.985 1.00 0.00 WT1 H ATOM 25725 H2 TIP3 8853 11.817 -1.378 -0.629 1.00 0.00 WT1 H ATOM 25726 OH2 TIP3 8854 0.472 -1.543 -0.146 1.00 0.00 WT1 O ATOM 25727 H1 TIP3 8854 6.979 -9.322 5.335 1.00 0.00 WT1 H ATOM 25728 H2 TIP3 8854 -4.682 11.505 8.695 1.00 0.00 WT1 H ATOM 25729 OH2 TIP3 8855 -2.151 -4.325 1.159 1.00 0.00 WT1 O ATOM 25730 H1 TIP3 8855 3.096 -14.821 16.024 1.00 0.00 WT1 H ATOM 25731 H2 TIP3 8855 -0.805 4.621 3.073 1.00 0.00 WT1 H ATOM 25732 OH2 TIP3 8856 -1.154 -3.251 1.812 1.00 0.00 WT1 O ATOM 25733 H1 TIP3 8856 -1.202 3.169 -3.111 1.00 0.00 WT1 H ATOM 25734 H2 TIP3 8856 -9.631 16.362 -4.493 1.00 0.00 WT1 H ATOM 25735 OH2 TIP3 8857 2.441 -0.814 -7.993 1.00 0.00 WT1 O ATOM 25736 H1 TIP3 8857 -1.314 -14.171 -37.296 1.00 0.00 WT1 H ATOM 25737 H2 TIP3 8857 -6.310 3.129 4.059 1.00 0.00 WT1 H ATOM 25738 OH2 TIP3 8858 3.046 -1.171 -0.905 1.00 0.00 WT1 O ATOM 25739 H1 TIP3 8858 4.402 -8.733 -0.612 1.00 0.00 WT1 H ATOM 25740 H2 TIP3 8858 -2.816 7.236 6.459 1.00 0.00 WT1 H ATOM 25741 OH2 TIP3 8859 -2.365 -1.808 -4.188 1.00 0.00 WT1 O ATOM 25742 H1 TIP3 8859 34.022 5.838 15.373 1.00 0.00 WT1 H ATOM 25743 H2 TIP3 8859 -0.243 29.478 8.953 1.00 0.00 WT1 H ATOM 25744 OH2 TIP3 8860 0.697 -2.462 4.057 1.00 0.00 WT1 O ATOM 25745 H1 TIP3 8860 -17.865 -5.812 -6.592 1.00 0.00 WT1 H ATOM 25746 H2 TIP3 8860 1.752 19.031 7.358 1.00 0.00 WT1 H ATOM 25747 OH2 TIP3 8861 -2.449 1.209 0.874 1.00 0.00 WT1 O ATOM 25748 H1 TIP3 8861 -8.956 7.719 5.786 1.00 0.00 WT1 H ATOM 25749 H2 TIP3 8861 0.246 -5.469 8.181 1.00 0.00 WT1 H ATOM 25750 OH2 TIP3 8863 -3.375 5.479 -6.148 1.00 0.00 WT1 O ATOM 25751 H1 TIP3 8863 -8.029 -1.148 24.263 1.00 0.00 WT1 H ATOM 25752 H2 TIP3 8863 21.785 0.461 -17.224 1.00 0.00 WT1 H ATOM 25753 OH2 TIP3 8864 1.308 0.069 -1.064 1.00 0.00 WT1 O ATOM 25754 H1 TIP3 8864 9.365 11.088 2.125 1.00 0.00 WT1 H ATOM 25755 H2 TIP3 8864 2.665 -6.724 9.588 1.00 0.00 WT1 H ATOM 25756 OH2 TIP3 8865 -2.730 1.563 -0.454 1.00 0.00 WT1 O ATOM 25757 H1 TIP3 8865 -5.107 -2.095 -8.360 1.00 0.00 WT1 H ATOM 25758 H2 TIP3 8865 -10.548 5.173 0.160 1.00 0.00 WT1 H ATOM 25759 OH2 TIP3 8866 2.531 0.334 -4.084 1.00 0.00 WT1 O ATOM 25760 H1 TIP3 8866 -1.146 -0.846 -7.926 1.00 0.00 WT1 H ATOM 25761 H2 TIP3 8866 0.151 18.980 2.715 1.00 0.00 WT1 H ATOM 25762 OH2 TIP3 8867 0.059 -0.192 -4.124 1.00 0.00 WT1 O ATOM 25763 H1 TIP3 8867 5.839 9.073 -3.210 1.00 0.00 WT1 H ATOM 25764 H2 TIP3 8867 -1.433 8.558 -11.313 1.00 0.00 WT1 H ATOM 25765 OH2 TIP3 8868 -0.314 -5.935 1.032 1.00 0.00 WT1 O ATOM 25766 H1 TIP3 8868 -5.581 -6.609 0.068 1.00 0.00 WT1 H ATOM 25767 H2 TIP3 8868 -27.065 0.875 -11.171 1.00 0.00 WT1 H ATOM 25768 OH2 TIP3 8869 0.117 2.539 5.070 1.00 0.00 WT1 O ATOM 25769 H1 TIP3 8869 -1.953 -18.274 1.820 1.00 0.00 WT1 H ATOM 25770 H2 TIP3 8869 15.480 -0.111 -7.532 1.00 0.00 WT1 H ATOM 25771 OH2 TIP3 8870 -0.815 -1.327 -2.410 1.00 0.00 WT1 O ATOM 25772 H1 TIP3 8870 -4.600 6.348 3.921 1.00 0.00 WT1 H ATOM 25773 H2 TIP3 8870 -0.857 8.530 -9.266 1.00 0.00 WT1 H ATOM 25774 OH2 TIP3 8871 -3.801 5.294 -3.382 1.00 0.00 WT1 O ATOM 25775 H1 TIP3 8871 -0.196 7.341 -1.344 1.00 0.00 WT1 H ATOM 25776 H2 TIP3 8871 -34.950 -16.131 -22.878 1.00 0.00 WT1 H ATOM 25777 OH2 TIP3 8872 -1.328 -4.550 4.321 1.00 0.00 WT1 O ATOM 25778 H1 TIP3 8872 1.447 -12.670 6.457 1.00 0.00 WT1 H ATOM 25779 H2 TIP3 8872 -22.212 11.470 -4.587 1.00 0.00 WT1 H ATOM 25780 OH2 TIP3 8873 -4.558 3.140 -0.389 1.00 0.00 WT1 O ATOM 25781 H1 TIP3 8873 10.384 -10.739 14.632 1.00 0.00 WT1 H ATOM 25782 H2 TIP3 8873 -15.819 15.840 -0.455 1.00 0.00 WT1 H ATOM 25783 OH2 TIP3 8874 -1.656 -1.228 -0.850 1.00 0.00 WT1 O ATOM 25784 H1 TIP3 8874 11.072 -3.096 10.396 1.00 0.00 WT1 H ATOM 25785 H2 TIP3 8874 10.251 5.126 -7.603 1.00 0.00 WT1 H ATOM 25786 OH2 TIP3 8875 1.988 1.013 -0.848 1.00 0.00 WT1 O ATOM 25787 H1 TIP3 8875 1.316 -12.189 7.420 1.00 0.00 WT1 H ATOM 25788 H2 TIP3 8875 -9.848 8.176 7.341 1.00 0.00 WT1 H ATOM 25789 OH2 TIP3 8876 -3.965 1.282 4.851 1.00 0.00 WT1 O ATOM 25790 H1 TIP3 8876 -5.010 -2.605 9.002 1.00 0.00 WT1 H ATOM 25791 H2 TIP3 8876 -7.008 7.580 4.634 1.00 0.00 WT1 H ATOM 25792 OH2 TIP3 8877 -0.743 -0.712 -3.045 1.00 0.00 WT1 O ATOM 25793 H1 TIP3 8877 -2.095 5.453 -21.356 1.00 0.00 WT1 H ATOM 25794 H2 TIP3 8877 -3.662 10.614 -3.164 1.00 0.00 WT1 H ATOM 25795 OH2 TIP3 8878 -0.586 9.297 -4.818 1.00 0.00 WT1 O ATOM 25796 H1 TIP3 8878 2.850 20.416 -5.723 1.00 0.00 WT1 H ATOM 25797 H2 TIP3 8878 15.897 -8.249 -21.858 1.00 0.00 WT1 H ATOM 25798 OH2 TIP3 8879 1.320 0.967 -2.738 1.00 0.00 WT1 O ATOM 25799 H1 TIP3 8879 -12.997 -0.384 -13.931 1.00 0.00 WT1 H ATOM 25800 H2 TIP3 8879 -12.026 -1.198 -12.771 1.00 0.00 WT1 H ATOM 25801 OH2 TIP3 8880 -1.692 8.982 -0.780 1.00 0.00 WT1 O ATOM 25802 H1 TIP3 8880 0.094 1.229 -11.982 1.00 0.00 WT1 H ATOM 25803 H2 TIP3 8880 0.016 -4.956 -3.316 1.00 0.00 WT1 H ATOM 25804 OH2 TIP3 8881 7.762 0.762 6.058 1.00 0.00 WT1 O ATOM 25805 H1 TIP3 8881 -15.445 16.107 19.141 1.00 0.00 WT1 H ATOM 25806 H2 TIP3 8881 -0.103 7.474 16.976 1.00 0.00 WT1 H ATOM 25807 OH2 TIP3 8882 0.146 1.861 -3.701 1.00 0.00 WT1 O ATOM 25808 H1 TIP3 8882 -8.434 4.751 6.888 1.00 0.00 WT1 H ATOM 25809 H2 TIP3 8882 4.434 0.118 -7.539 1.00 0.00 WT1 H ATOM 25810 OH2 TIP3 8883 -1.688 0.762 1.815 1.00 0.00 WT1 O ATOM 25811 H1 TIP3 8883 -1.805 7.342 -9.250 1.00 0.00 WT1 H ATOM 25812 H2 TIP3 8883 -8.689 3.822 -7.968 1.00 0.00 WT1 H ATOM 25813 OH2 TIP3 8884 -5.440 1.220 2.477 1.00 0.00 WT1 O ATOM 25814 H1 TIP3 8884 -1.993 2.127 -5.044 1.00 0.00 WT1 H ATOM 25815 H2 TIP3 8884 24.044 -22.730 7.575 1.00 0.00 WT1 H ATOM 25816 OH2 TIP3 8885 3.563 5.190 -5.767 1.00 0.00 WT1 O ATOM 25817 H1 TIP3 8885 4.903 -7.695 6.381 1.00 0.00 WT1 H ATOM 25818 H2 TIP3 8885 8.151 5.592 0.380 1.00 0.00 WT1 H ATOM 25819 OH2 TIP3 8886 -2.225 1.533 -1.558 1.00 0.00 WT1 O ATOM 25820 H1 TIP3 8886 -13.236 5.050 -11.094 1.00 0.00 WT1 H ATOM 25821 H2 TIP3 8886 0.721 -15.041 0.934 1.00 0.00 WT1 H ATOM 25822 OH2 TIP3 8887 -0.110 0.315 -0.379 1.00 0.00 WT1 O ATOM 25823 H1 TIP3 8887 7.274 5.400 7.790 1.00 0.00 WT1 H ATOM 25824 H2 TIP3 8887 -17.511 6.973 1.396 1.00 0.00 WT1 H ATOM 25825 OH2 TIP3 8888 -7.708 -3.027 0.554 1.00 0.00 WT1 O ATOM 25826 H1 TIP3 8888 -12.570 -8.037 5.304 1.00 0.00 WT1 H ATOM 25827 H2 TIP3 8888 -6.928 6.451 3.560 1.00 0.00 WT1 H ATOM 25828 OH2 TIP3 8889 4.446 -0.188 1.145 1.00 0.00 WT1 O ATOM 25829 H1 TIP3 8889 20.736 -16.799 -15.394 1.00 0.00 WT1 H ATOM 25830 H2 TIP3 8889 18.963 0.128 27.747 1.00 0.00 WT1 H ATOM 25831 OH2 TIP3 8890 1.073 4.248 -6.515 1.00 0.00 WT1 O ATOM 25832 H1 TIP3 8890 -19.023 -6.508 7.206 1.00 0.00 WT1 H ATOM 25833 H2 TIP3 8890 -11.021 -3.025 -0.417 1.00 0.00 WT1 H ATOM 25834 OH2 TIP3 8891 3.533 -5.524 -1.194 1.00 0.00 WT1 O ATOM 25835 H1 TIP3 8891 7.651 -8.375 0.205 1.00 0.00 WT1 H ATOM 25836 H2 TIP3 8891 -17.109 14.199 24.929 1.00 0.00 WT1 H ATOM 25837 OH2 TIP3 8893 -0.941 -5.156 -0.945 1.00 0.00 WT1 O ATOM 25838 H1 TIP3 8893 15.476 -8.794 33.514 1.00 0.00 WT1 H ATOM 25839 H2 TIP3 8893 6.259 -18.258 -27.878 1.00 0.00 WT1 H ATOM 25840 OH2 TIP3 8894 0.564 3.460 -2.883 1.00 0.00 WT1 O ATOM 25841 H1 TIP3 8894 2.197 10.425 -9.867 1.00 0.00 WT1 H ATOM 25842 H2 TIP3 8894 8.666 -5.285 0.639 1.00 0.00 WT1 H ATOM 25843 OH2 TIP3 8895 0.411 -0.768 1.504 1.00 0.00 WT1 O ATOM 25844 H1 TIP3 8895 -0.940 13.067 8.838 1.00 0.00 WT1 H ATOM 25845 H2 TIP3 8895 0.868 -6.131 0.006 1.00 0.00 WT1 H ATOM 25846 OH2 TIP3 8896 -0.712 -0.793 2.264 1.00 0.00 WT1 O ATOM 25847 H1 TIP3 8896 -15.069 -8.322 -3.247 1.00 0.00 WT1 H ATOM 25848 H2 TIP3 8896 7.867 -23.234 -6.386 1.00 0.00 WT1 H ATOM 25849 OH2 TIP3 8897 1.109 2.326 12.916 1.00 0.00 WT1 O ATOM 25850 H1 TIP3 8897 3.975 -16.632 19.698 1.00 0.00 WT1 H ATOM 25851 H2 TIP3 8897 12.083 -14.206 25.822 1.00 0.00 WT1 H ATOM 25852 OH2 TIP3 8898 1.134 3.856 0.651 1.00 0.00 WT1 O ATOM 25853 H1 TIP3 8898 -6.268 2.848 -25.090 1.00 0.00 WT1 H ATOM 25854 H2 TIP3 8898 -1.581 -15.576 -10.291 1.00 0.00 WT1 H ATOM 25855 OH2 TIP3 8899 -0.049 0.949 7.274 1.00 0.00 WT1 O ATOM 25856 H1 TIP3 8899 -1.692 -8.621 7.876 1.00 0.00 WT1 H ATOM 25857 H2 TIP3 8899 10.143 3.953 -23.983 1.00 0.00 WT1 H ATOM 25858 OH2 TIP3 8900 -3.161 5.455 -2.203 1.00 0.00 WT1 O ATOM 25859 H1 TIP3 8900 -5.686 -1.661 6.885 1.00 0.00 WT1 H ATOM 25860 H2 TIP3 8900 3.921 -6.221 4.194 1.00 0.00 WT1 H ATOM 25861 OH2 TIP3 8901 -1.949 -4.069 -10.993 1.00 0.00 WT1 O ATOM 25862 H1 TIP3 8901 0.993 -4.029 -5.628 1.00 0.00 WT1 H ATOM 25863 H2 TIP3 8901 -0.807 4.016 15.365 1.00 0.00 WT1 H ATOM 25864 OH2 TIP3 8902 0.701 -6.047 0.104 1.00 0.00 WT1 O ATOM 25865 H1 TIP3 8902 21.040 -2.252 -9.084 1.00 0.00 WT1 H ATOM 25866 H2 TIP3 8902 3.747 -13.490 -7.578 1.00 0.00 WT1 H ATOM 25867 OH2 TIP3 8903 -1.903 8.846 -0.041 1.00 0.00 WT1 O ATOM 25868 H1 TIP3 8903 2.240 5.263 -6.786 1.00 0.00 WT1 H ATOM 25869 H2 TIP3 8903 4.441 26.213 0.962 1.00 0.00 WT1 H ATOM 25870 OH2 TIP3 8904 7.606 2.114 0.149 1.00 0.00 WT1 O ATOM 25871 H1 TIP3 8904 0.655 2.596 -10.183 1.00 0.00 WT1 H ATOM 25872 H2 TIP3 8904 15.868 -3.871 -1.798 1.00 0.00 WT1 H ATOM 25873 OH2 TIP3 8905 6.794 0.177 -1.258 1.00 0.00 WT1 O ATOM 25874 H1 TIP3 8905 -6.917 6.833 9.225 1.00 0.00 WT1 H ATOM 25875 H2 TIP3 8905 17.357 14.565 -4.080 1.00 0.00 WT1 H ATOM 25876 OH2 TIP3 8906 1.073 3.327 -5.862 1.00 0.00 WT1 O ATOM 25877 H1 TIP3 8906 5.168 -12.022 -7.628 1.00 0.00 WT1 H ATOM 25878 H2 TIP3 8906 -2.115 15.773 -4.475 1.00 0.00 WT1 H ATOM 25879 OH2 TIP3 8907 -7.338 -8.174 -4.987 1.00 0.00 WT1 O ATOM 25880 H1 TIP3 8907 -4.046 19.963 -14.200 1.00 0.00 WT1 H ATOM 25881 H2 TIP3 8907 -17.590 -23.906 -13.666 1.00 0.00 WT1 H ATOM 25882 OH2 TIP3 8908 0.310 -0.419 -6.368 1.00 0.00 WT1 O ATOM 25883 H1 TIP3 8908 0.292 5.143 0.846 1.00 0.00 WT1 H ATOM 25884 H2 TIP3 8908 -0.199 -2.750 -13.733 1.00 0.00 WT1 H ATOM 25885 OH2 TIP3 8909 -2.075 -0.939 0.764 1.00 0.00 WT1 O ATOM 25886 H1 TIP3 8909 23.028 27.281 12.534 1.00 0.00 WT1 H ATOM 25887 H2 TIP3 8909 -11.305 -12.014 -10.746 1.00 0.00 WT1 H ATOM 25888 OH2 TIP3 8910 -2.582 -7.318 -3.610 1.00 0.00 WT1 O ATOM 25889 H1 TIP3 8910 7.021 -14.646 -14.827 1.00 0.00 WT1 H ATOM 25890 H2 TIP3 8910 6.840 -8.797 7.857 1.00 0.00 WT1 H ATOM 25891 OH2 TIP3 8911 0.255 0.689 5.558 1.00 0.00 WT1 O ATOM 25892 H1 TIP3 8911 -11.760 -7.055 2.162 1.00 0.00 WT1 H ATOM 25893 H2 TIP3 8911 11.177 -5.353 8.156 1.00 0.00 WT1 H ATOM 25894 OH2 TIP3 8912 0.648 -5.541 4.512 1.00 0.00 WT1 O ATOM 25895 H1 TIP3 8912 -13.730 -1.038 4.109 1.00 0.00 WT1 H ATOM 25896 H2 TIP3 8912 5.944 11.768 -20.139 1.00 0.00 WT1 H ATOM 25897 OH2 TIP3 8913 5.861 0.511 -1.228 1.00 0.00 WT1 O ATOM 25898 H1 TIP3 8913 14.158 -14.612 1.113 1.00 0.00 WT1 H ATOM 25899 H2 TIP3 8913 10.693 9.672 -15.101 1.00 0.00 WT1 H ATOM 25900 OH2 TIP3 8914 2.564 2.989 -1.014 1.00 0.00 WT1 O ATOM 25901 H1 TIP3 8914 -4.510 -5.824 0.552 1.00 0.00 WT1 H ATOM 25902 H2 TIP3 8914 0.282 10.332 7.714 1.00 0.00 WT1 H ATOM 25903 OH2 TIP3 8915 -0.456 -0.182 2.935 1.00 0.00 WT1 O ATOM 25904 H1 TIP3 8915 7.330 -18.350 13.487 1.00 0.00 WT1 H ATOM 25905 H2 TIP3 8915 -12.068 -6.433 1.100 1.00 0.00 WT1 H ATOM 25906 OH2 TIP3 8916 -3.923 -2.849 0.905 1.00 0.00 WT1 O ATOM 25907 H1 TIP3 8916 6.071 5.107 1.769 1.00 0.00 WT1 H ATOM 25908 H2 TIP3 8916 3.395 7.958 4.386 1.00 0.00 WT1 H ATOM 25909 OH2 TIP3 8917 1.750 -2.135 -1.560 1.00 0.00 WT1 O ATOM 25910 H1 TIP3 8917 -0.324 -4.243 11.638 1.00 0.00 WT1 H ATOM 25911 H2 TIP3 8917 -14.803 22.433 -20.887 1.00 0.00 WT1 H ATOM 25912 OH2 TIP3 8918 3.623 -2.656 -2.299 1.00 0.00 WT1 O ATOM 25913 H1 TIP3 8918 -7.676 -26.333 -8.432 1.00 0.00 WT1 H ATOM 25914 H2 TIP3 8918 -1.366 -12.990 4.146 1.00 0.00 WT1 H ATOM 25915 OH2 TIP3 8919 -0.112 2.158 -6.697 1.00 0.00 WT1 O ATOM 25916 H1 TIP3 8919 -21.828 18.721 2.924 1.00 0.00 WT1 H ATOM 25917 H2 TIP3 8919 -4.945 -0.052 12.105 1.00 0.00 WT1 H ATOM 25918 OH2 TIP3 8920 -1.441 -0.567 -4.253 1.00 0.00 WT1 O ATOM 25919 H1 TIP3 8920 -14.014 6.478 -3.724 1.00 0.00 WT1 H ATOM 25920 H2 TIP3 8920 0.996 -4.303 9.704 1.00 0.00 WT1 H ATOM 25921 OH2 TIP3 8921 3.048 -5.137 -1.580 1.00 0.00 WT1 O ATOM 25922 H1 TIP3 8921 12.739 -9.064 -1.392 1.00 0.00 WT1 H ATOM 25923 H2 TIP3 8921 -4.666 -13.498 -2.727 1.00 0.00 WT1 H ATOM 25924 OH2 TIP3 8922 5.264 -0.797 -1.906 1.00 0.00 WT1 O ATOM 25925 H1 TIP3 8922 1.828 18.377 -15.192 1.00 0.00 WT1 H ATOM 25926 H2 TIP3 8922 -3.769 -10.313 14.294 1.00 0.00 WT1 H ATOM 25927 OH2 TIP3 8923 -4.104 -2.570 3.109 1.00 0.00 WT1 O ATOM 25928 H1 TIP3 8923 -16.003 -6.807 2.326 1.00 0.00 WT1 H ATOM 25929 H2 TIP3 8923 -5.179 -1.045 -8.048 1.00 0.00 WT1 H ATOM 25930 OH2 TIP3 8924 0.297 0.618 4.897 1.00 0.00 WT1 O ATOM 25931 H1 TIP3 8924 2.826 -3.861 3.230 1.00 0.00 WT1 H ATOM 25932 H2 TIP3 8924 -3.249 9.868 6.984 1.00 0.00 WT1 H ATOM 25933 OH2 TIP3 8926 -1.645 0.392 0.628 1.00 0.00 WT1 O ATOM 25934 H1 TIP3 8926 -3.481 -6.985 1.027 1.00 0.00 WT1 H ATOM 25935 H2 TIP3 8926 -2.878 4.400 7.239 1.00 0.00 WT1 H ATOM 25936 OH2 TIP3 8927 1.841 -1.985 3.548 1.00 0.00 WT1 O ATOM 25937 H1 TIP3 8927 8.998 -10.450 -9.181 1.00 0.00 WT1 H ATOM 25938 H2 TIP3 8927 12.201 2.123 13.648 1.00 0.00 WT1 H ATOM 25939 OH2 TIP3 8928 0.296 -1.768 -2.039 1.00 0.00 WT1 O ATOM 25940 H1 TIP3 8928 -6.483 5.249 -9.724 1.00 0.00 WT1 H ATOM 25941 H2 TIP3 8928 4.543 7.981 -6.068 1.00 0.00 WT1 H ATOM 25942 OH2 TIP3 8929 1.642 6.004 3.884 1.00 0.00 WT1 O ATOM 25943 H1 TIP3 8929 -3.132 32.387 7.383 1.00 0.00 WT1 H ATOM 25944 H2 TIP3 8929 -6.529 5.414 -7.143 1.00 0.00 WT1 H ATOM 25945 OH2 TIP3 8930 -4.803 0.574 -4.223 1.00 0.00 WT1 O ATOM 25946 H1 TIP3 8930 21.392 -8.517 -18.408 1.00 0.00 WT1 H ATOM 25947 H2 TIP3 8930 10.717 -28.536 -3.320 1.00 0.00 WT1 H ATOM 25948 OH2 TIP3 8931 1.510 -0.267 0.877 1.00 0.00 WT1 O ATOM 25949 H1 TIP3 8931 11.396 -21.851 -16.736 1.00 0.00 WT1 H ATOM 25950 H2 TIP3 8931 -4.691 15.444 13.474 1.00 0.00 WT1 H ATOM 25951 OH2 TIP3 8932 2.110 -2.626 -0.003 1.00 0.00 WT1 O ATOM 25952 H1 TIP3 8932 -2.311 -3.419 0.578 1.00 0.00 WT1 H ATOM 25953 H2 TIP3 8932 0.805 2.051 0.068 1.00 0.00 WT1 H ATOM 25954 OH2 TIP3 8933 5.732 1.946 -1.564 1.00 0.00 WT1 O ATOM 25955 H1 TIP3 8933 -3.603 4.661 15.093 1.00 0.00 WT1 H ATOM 25956 H2 TIP3 8933 7.820 -9.884 -17.457 1.00 0.00 WT1 H ATOM 25957 OH2 TIP3 8934 6.500 -5.225 -0.049 1.00 0.00 WT1 O ATOM 25958 H1 TIP3 8934 5.790 -5.770 -1.463 1.00 0.00 WT1 H ATOM 25959 H2 TIP3 8934 16.886 2.014 -5.369 1.00 0.00 WT1 H ATOM 25960 OH2 TIP3 8935 -8.923 5.827 -3.929 1.00 0.00 WT1 O ATOM 25961 H1 TIP3 8935 -8.326 -7.726 -4.360 1.00 0.00 WT1 H ATOM 25962 H2 TIP3 8935 -9.632 -13.977 -5.439 1.00 0.00 WT1 H ATOM 25963 OH2 TIP3 8936 -11.721 -0.354 -0.611 1.00 0.00 WT1 O ATOM 25964 H1 TIP3 8936 11.781 -24.981 5.134 1.00 0.00 WT1 H ATOM 25965 H2 TIP3 8936 -2.110 -7.397 12.103 1.00 0.00 WT1 H ATOM 25966 OH2 TIP3 8937 2.884 -5.086 -0.669 1.00 0.00 WT1 O ATOM 25967 H1 TIP3 8937 10.675 -15.032 25.903 1.00 0.00 WT1 H ATOM 25968 H2 TIP3 8937 0.558 -2.092 14.352 1.00 0.00 WT1 H ATOM 25969 OH2 TIP3 8938 -0.643 -0.802 0.742 1.00 0.00 WT1 O ATOM 25970 H1 TIP3 8938 2.620 -0.489 7.241 1.00 0.00 WT1 H ATOM 25971 H2 TIP3 8938 21.290 -44.600 6.461 1.00 0.00 WT1 H ATOM 25972 OH2 TIP3 8939 -0.889 -0.180 0.325 1.00 0.00 WT1 O ATOM 25973 H1 TIP3 8939 9.843 13.289 -9.235 1.00 0.00 WT1 H ATOM 25974 H2 TIP3 8939 -0.099 -0.081 17.582 1.00 0.00 WT1 H ATOM 25975 OH2 TIP3 8940 -7.135 -1.645 6.006 1.00 0.00 WT1 O ATOM 25976 H1 TIP3 8940 -55.707 -21.738 -17.368 1.00 0.00 WT1 H ATOM 25977 H2 TIP3 8940 -0.931 0.933 14.328 1.00 0.00 WT1 H ATOM 25978 OH2 TIP3 8941 1.913 0.787 1.351 1.00 0.00 WT1 O ATOM 25979 H1 TIP3 8941 19.282 -8.207 4.014 1.00 0.00 WT1 H ATOM 25980 H2 TIP3 8941 33.267 -13.872 5.510 1.00 0.00 WT1 H ATOM 25981 OH2 TIP3 8942 -3.938 -4.553 4.483 1.00 0.00 WT1 O ATOM 25982 H1 TIP3 8942 -10.866 -16.873 -3.612 1.00 0.00 WT1 H ATOM 25983 H2 TIP3 8942 9.884 -1.853 2.615 1.00 0.00 WT1 H ATOM 25984 OH2 TIP3 8943 4.169 -1.545 -6.022 1.00 0.00 WT1 O ATOM 25985 H1 TIP3 8943 1.850 -0.197 -1.748 1.00 0.00 WT1 H ATOM 25986 H2 TIP3 8943 8.614 4.582 -7.029 1.00 0.00 WT1 H ATOM 25987 OH2 TIP3 8944 -3.696 -0.462 5.540 1.00 0.00 WT1 O ATOM 25988 H1 TIP3 8944 14.376 -13.040 -6.822 1.00 0.00 WT1 H ATOM 25989 H2 TIP3 8944 13.056 -9.199 -6.290 1.00 0.00 WT1 H ATOM 25990 OH2 TIP3 8945 -5.535 3.841 -2.546 1.00 0.00 WT1 O ATOM 25991 H1 TIP3 8945 15.692 12.181 -0.398 1.00 0.00 WT1 H ATOM 25992 H2 TIP3 8945 -0.943 12.078 -5.646 1.00 0.00 WT1 H ATOM 25993 OH2 TIP3 8946 4.644 -0.348 -3.434 1.00 0.00 WT1 O ATOM 25994 H1 TIP3 8946 12.292 4.044 -1.942 1.00 0.00 WT1 H ATOM 25995 H2 TIP3 8946 22.785 -18.475 -4.345 1.00 0.00 WT1 H ATOM 25996 OH2 TIP3 8947 2.262 1.195 -1.509 1.00 0.00 WT1 O ATOM 25997 H1 TIP3 8947 12.868 -5.828 -0.197 1.00 0.00 WT1 H ATOM 25998 H2 TIP3 8947 -1.438 -4.928 13.871 1.00 0.00 WT1 H ATOM 25999 OH2 TIP3 8948 4.367 -6.036 -4.763 1.00 0.00 WT1 O ATOM 26000 H1 TIP3 8948 2.759 -6.127 -11.293 1.00 0.00 WT1 H ATOM 26001 H2 TIP3 8948 6.822 -5.035 5.962 1.00 0.00 WT1 H ATOM 26002 OH2 TIP3 8949 -5.204 -1.657 -1.381 1.00 0.00 WT1 O ATOM 26003 H1 TIP3 8949 -8.591 -8.083 -1.706 1.00 0.00 WT1 H ATOM 26004 H2 TIP3 8949 0.047 21.984 13.323 1.00 0.00 WT1 H ATOM 26005 OH2 TIP3 8950 2.078 5.860 1.975 1.00 0.00 WT1 O ATOM 26006 H1 TIP3 8950 10.230 2.547 -0.471 1.00 0.00 WT1 H ATOM 26007 H2 TIP3 8950 -13.423 13.044 7.480 1.00 0.00 WT1 H ATOM 26008 OH2 TIP3 8951 -0.459 -3.639 2.336 1.00 0.00 WT1 O ATOM 26009 H1 TIP3 8951 22.061 1.702 -10.256 1.00 0.00 WT1 H ATOM 26010 H2 TIP3 8951 -11.669 29.294 10.350 1.00 0.00 WT1 H ATOM 26011 OH2 TIP3 8952 -1.051 1.061 1.774 1.00 0.00 WT1 O ATOM 26012 H1 TIP3 8952 -15.815 -8.293 -18.511 1.00 0.00 WT1 H ATOM 26013 H2 TIP3 8952 -2.122 -6.441 -5.902 1.00 0.00 WT1 H ATOM 26014 OH2 TIP3 8953 1.073 4.233 0.738 1.00 0.00 WT1 O ATOM 26015 H1 TIP3 8953 5.221 2.582 3.836 1.00 0.00 WT1 H ATOM 26016 H2 TIP3 8953 3.745 7.709 -1.932 1.00 0.00 WT1 H ATOM 26017 OH2 TIP3 8954 1.532 2.898 -1.713 1.00 0.00 WT1 O ATOM 26018 H1 TIP3 8954 -19.358 12.584 18.716 1.00 0.00 WT1 H ATOM 26019 H2 TIP3 8954 3.705 15.352 -23.282 1.00 0.00 WT1 H ATOM 26020 OH2 TIP3 8955 2.311 0.674 2.399 1.00 0.00 WT1 O ATOM 26021 H1 TIP3 8955 -15.952 22.275 9.442 1.00 0.00 WT1 H ATOM 26022 H2 TIP3 8955 24.193 -7.389 -11.626 1.00 0.00 WT1 H ATOM 26023 OH2 TIP3 8956 2.344 -0.341 0.299 1.00 0.00 WT1 O ATOM 26024 H1 TIP3 8956 5.234 0.317 8.536 1.00 0.00 WT1 H ATOM 26025 H2 TIP3 8956 8.881 9.070 -4.973 1.00 0.00 WT1 H ATOM 26026 OH2 TIP3 8957 5.335 6.324 3.108 1.00 0.00 WT1 O ATOM 26027 H1 TIP3 8957 1.827 15.459 2.549 1.00 0.00 WT1 H ATOM 26028 H2 TIP3 8957 1.178 11.170 -0.141 1.00 0.00 WT1 H ATOM 26029 OH2 TIP3 8958 0.748 2.692 -2.641 1.00 0.00 WT1 O ATOM 26030 H1 TIP3 8958 -2.383 4.426 -1.942 1.00 0.00 WT1 H ATOM 26031 H2 TIP3 8958 9.718 13.143 -30.561 1.00 0.00 WT1 H ATOM 26032 OH2 TIP3 8959 1.837 -3.825 -2.767 1.00 0.00 WT1 O ATOM 26033 H1 TIP3 8959 30.937 -7.009 22.476 1.00 0.00 WT1 H ATOM 26034 H2 TIP3 8959 11.383 -5.289 -24.308 1.00 0.00 WT1 H ATOM 26035 OH2 TIP3 8960 -4.126 0.730 -0.636 1.00 0.00 WT1 O ATOM 26036 H1 TIP3 8960 -0.674 -5.755 -11.315 1.00 0.00 WT1 H ATOM 26037 H2 TIP3 8960 -3.967 0.023 -4.931 1.00 0.00 WT1 H ATOM 26038 OH2 TIP3 8961 -0.258 4.905 -0.320 1.00 0.00 WT1 O ATOM 26039 H1 TIP3 8961 -2.725 12.537 1.641 1.00 0.00 WT1 H ATOM 26040 H2 TIP3 8961 -5.473 19.547 0.537 1.00 0.00 WT1 H ATOM 26041 OH2 TIP3 8962 -5.564 1.883 1.894 1.00 0.00 WT1 O ATOM 26042 H1 TIP3 8962 -10.086 -0.371 1.730 1.00 0.00 WT1 H ATOM 26043 H2 TIP3 8962 0.197 3.394 -0.231 1.00 0.00 WT1 H ATOM 26044 OH2 TIP3 8963 2.964 -2.954 4.767 1.00 0.00 WT1 O ATOM 26045 H1 TIP3 8963 11.986 -8.203 14.227 1.00 0.00 WT1 H ATOM 26046 H2 TIP3 8963 14.162 -12.856 16.289 1.00 0.00 WT1 H ATOM 26047 OH2 TIP3 8964 2.026 -4.102 -0.429 1.00 0.00 WT1 O ATOM 26048 H1 TIP3 8964 -4.167 21.580 0.847 1.00 0.00 WT1 H ATOM 26049 H2 TIP3 8964 16.253 -13.916 -14.665 1.00 0.00 WT1 H ATOM 26050 OH2 TIP3 8965 1.387 -3.840 1.800 1.00 0.00 WT1 O ATOM 26051 H1 TIP3 8965 5.978 4.522 2.284 1.00 0.00 WT1 H ATOM 26052 H2 TIP3 8965 0.167 3.253 12.557 1.00 0.00 WT1 H ATOM 26053 OH2 TIP3 8966 -0.798 1.405 -1.590 1.00 0.00 WT1 O ATOM 26054 H1 TIP3 8966 -10.880 11.931 -9.188 1.00 0.00 WT1 H ATOM 26055 H2 TIP3 8966 8.728 -15.116 -8.657 1.00 0.00 WT1 H ATOM 26056 OH2 TIP3 8967 -0.927 4.279 -2.695 1.00 0.00 WT1 O ATOM 26057 H1 TIP3 8967 4.502 -15.591 -7.060 1.00 0.00 WT1 H ATOM 26058 H2 TIP3 8967 -8.733 -7.486 -13.033 1.00 0.00 WT1 H ATOM 26059 OH2 TIP3 8968 -1.718 6.246 -2.993 1.00 0.00 WT1 O ATOM 26060 H1 TIP3 8968 -10.264 9.344 0.354 1.00 0.00 WT1 H ATOM 26061 H2 TIP3 8968 -26.111 25.611 -1.784 1.00 0.00 WT1 H ATOM 26062 OH2 TIP3 8969 -2.314 -7.008 3.985 1.00 0.00 WT1 O ATOM 26063 H1 TIP3 8969 -11.578 -0.872 -4.247 1.00 0.00 WT1 H ATOM 26064 H2 TIP3 8969 -25.365 -16.558 -10.895 1.00 0.00 WT1 H ATOM 26065 OH2 TIP3 8970 -4.901 2.892 -10.409 1.00 0.00 WT1 O ATOM 26066 H1 TIP3 8970 -0.843 13.041 -9.714 1.00 0.00 WT1 H ATOM 26067 H2 TIP3 8970 -4.838 20.212 -13.908 1.00 0.00 WT1 H ATOM 26068 OH2 TIP3 8971 -2.896 -4.306 -3.819 1.00 0.00 WT1 O ATOM 26069 H1 TIP3 8971 -4.902 -10.094 1.165 1.00 0.00 WT1 H ATOM 26070 H2 TIP3 8971 -0.961 -2.176 -3.794 1.00 0.00 WT1 H ATOM 26071 OH2 TIP3 8972 -0.446 -5.661 -0.029 1.00 0.00 WT1 O ATOM 26072 H1 TIP3 8972 -23.332 -15.829 -9.381 1.00 0.00 WT1 H ATOM 26073 H2 TIP3 8972 9.174 -1.089 2.607 1.00 0.00 WT1 H ATOM 26074 OH2 TIP3 8973 2.612 4.163 7.737 1.00 0.00 WT1 O ATOM 26075 H1 TIP3 8973 5.720 -12.508 14.019 1.00 0.00 WT1 H ATOM 26076 H2 TIP3 8973 7.929 7.228 12.995 1.00 0.00 WT1 H ATOM 26077 OH2 TIP3 8974 3.972 3.771 -8.835 1.00 0.00 WT1 O ATOM 26078 H1 TIP3 8974 -29.012 3.998 -14.187 1.00 0.00 WT1 H ATOM 26079 H2 TIP3 8974 11.328 1.972 -8.849 1.00 0.00 WT1 H ATOM 26080 OH2 TIP3 8975 -3.554 -5.030 0.759 1.00 0.00 WT1 O ATOM 26081 H1 TIP3 8975 -8.243 0.276 -2.683 1.00 0.00 WT1 H ATOM 26082 H2 TIP3 8975 -12.360 8.061 -0.407 1.00 0.00 WT1 H ATOM 26083 OH2 TIP3 8976 3.935 -2.090 6.731 1.00 0.00 WT1 O ATOM 26084 H1 TIP3 8976 -0.190 6.487 3.527 1.00 0.00 WT1 H ATOM 26085 H2 TIP3 8976 14.418 -4.308 0.457 1.00 0.00 WT1 H ATOM 26086 OH2 TIP3 8977 4.920 6.760 -3.561 1.00 0.00 WT1 O ATOM 26087 H1 TIP3 8977 6.596 2.939 -3.123 1.00 0.00 WT1 H ATOM 26088 H2 TIP3 8977 12.988 -3.885 8.499 1.00 0.00 WT1 H ATOM 26089 OH2 TIP3 8978 5.184 0.892 -3.499 1.00 0.00 WT1 O ATOM 26090 H1 TIP3 8978 3.984 -5.271 6.994 1.00 0.00 WT1 H ATOM 26091 H2 TIP3 8978 -15.784 15.966 -12.491 1.00 0.00 WT1 H ATOM 26092 OH2 TIP3 8979 -1.646 4.742 -4.631 1.00 0.00 WT1 O ATOM 26093 H1 TIP3 8979 -0.845 -4.062 -14.654 1.00 0.00 WT1 H ATOM 26094 H2 TIP3 8979 -8.460 12.242 -2.022 1.00 0.00 WT1 H ATOM 26095 OH2 TIP3 8980 -1.037 -7.389 4.647 1.00 0.00 WT1 O ATOM 26096 H1 TIP3 8980 5.607 -9.167 5.645 1.00 0.00 WT1 H ATOM 26097 H2 TIP3 8980 -5.582 -4.565 3.389 1.00 0.00 WT1 H ATOM 26098 OH2 TIP3 8981 2.411 1.872 2.090 1.00 0.00 WT1 O ATOM 26099 H1 TIP3 8981 11.272 23.903 1.742 1.00 0.00 WT1 H ATOM 26100 H2 TIP3 8981 6.437 10.252 3.334 1.00 0.00 WT1 H ATOM 26101 OH2 TIP3 8982 -0.690 1.430 8.359 1.00 0.00 WT1 O ATOM 26102 H1 TIP3 8982 -4.286 -0.208 9.200 1.00 0.00 WT1 H ATOM 26103 H2 TIP3 8982 1.124 -2.875 7.971 1.00 0.00 WT1 H ATOM 26104 OH2 TIP3 8983 3.734 7.664 4.946 1.00 0.00 WT1 O ATOM 26105 H1 TIP3 8983 -8.941 13.787 8.972 1.00 0.00 WT1 H ATOM 26106 H2 TIP3 8983 2.129 -7.595 7.373 1.00 0.00 WT1 H ATOM 26107 OH2 TIP3 8984 -1.949 -1.638 -1.043 1.00 0.00 WT1 O ATOM 26108 H1 TIP3 8984 -4.083 9.161 -7.068 1.00 0.00 WT1 H ATOM 26109 H2 TIP3 8984 1.753 -8.077 -8.668 1.00 0.00 WT1 H ATOM 26110 OH2 TIP3 8985 -2.263 -1.289 -1.129 1.00 0.00 WT1 O ATOM 26111 H1 TIP3 8985 -6.000 4.165 -0.052 1.00 0.00 WT1 H ATOM 26112 H2 TIP3 8985 -0.358 -1.746 -1.507 1.00 0.00 WT1 H ATOM 26113 OH2 TIP3 8986 -6.479 1.772 0.028 1.00 0.00 WT1 O ATOM 26114 H1 TIP3 8986 -4.369 -31.707 -7.474 1.00 0.00 WT1 H ATOM 26115 H2 TIP3 8986 -11.124 2.833 -17.745 1.00 0.00 WT1 H ATOM 26116 OH2 TIP3 8987 -1.391 1.983 -5.327 1.00 0.00 WT1 O ATOM 26117 H1 TIP3 8987 2.856 -4.625 -1.129 1.00 0.00 WT1 H ATOM 26118 H2 TIP3 8987 1.720 -3.230 -1.922 1.00 0.00 WT1 H ATOM 26119 OH2 TIP3 8988 -1.722 -2.942 -4.047 1.00 0.00 WT1 O ATOM 26120 H1 TIP3 8988 3.025 -14.806 -4.800 1.00 0.00 WT1 H ATOM 26121 H2 TIP3 8988 -10.820 -0.135 -4.750 1.00 0.00 WT1 H ATOM 26122 OH2 TIP3 8989 -0.463 0.148 -4.236 1.00 0.00 WT1 O ATOM 26123 H1 TIP3 8989 -6.157 -2.126 -12.337 1.00 0.00 WT1 H ATOM 26124 H2 TIP3 8989 4.829 -4.995 -14.050 1.00 0.00 WT1 H ATOM 26125 OH2 TIP3 8990 3.055 -0.876 -5.138 1.00 0.00 WT1 O ATOM 26126 H1 TIP3 8990 -4.402 8.382 -7.249 1.00 0.00 WT1 H ATOM 26127 H2 TIP3 8990 -4.750 31.522 17.481 1.00 0.00 WT1 H ATOM 26128 OH2 TIP3 8991 0.817 5.160 2.600 1.00 0.00 WT1 O ATOM 26129 H1 TIP3 8991 1.992 -0.490 -1.753 1.00 0.00 WT1 H ATOM 26130 H2 TIP3 8991 -1.585 2.235 8.599 1.00 0.00 WT1 H ATOM 26131 OH2 TIP3 8992 -1.957 -0.477 2.631 1.00 0.00 WT1 O ATOM 26132 H1 TIP3 8992 1.167 -11.287 4.053 1.00 0.00 WT1 H ATOM 26133 H2 TIP3 8992 6.611 7.055 -2.318 1.00 0.00 WT1 H ATOM 26134 OH2 TIP3 8993 3.273 -4.645 4.816 1.00 0.00 WT1 O ATOM 26135 H1 TIP3 8993 2.527 -22.336 -9.032 1.00 0.00 WT1 H ATOM 26136 H2 TIP3 8993 7.006 10.796 -7.281 1.00 0.00 WT1 H ATOM 26137 OH2 TIP3 8994 4.791 4.598 1.698 1.00 0.00 WT1 O ATOM 26138 H1 TIP3 8994 15.660 1.001 7.603 1.00 0.00 WT1 H ATOM 26139 H2 TIP3 8994 -0.274 -1.503 -8.613 1.00 0.00 WT1 H ATOM 26140 OH2 TIP3 8995 -0.059 -5.231 -3.246 1.00 0.00 WT1 O ATOM 26141 H1 TIP3 8995 -29.157 -6.723 -2.823 1.00 0.00 WT1 H ATOM 26142 H2 TIP3 8995 3.511 19.916 9.150 1.00 0.00 WT1 H ATOM 26143 OH2 TIP3 8996 -3.987 0.047 3.884 1.00 0.00 WT1 O ATOM 26144 H1 TIP3 8996 -15.986 5.760 21.157 1.00 0.00 WT1 H ATOM 26145 H2 TIP3 8996 12.275 -15.549 10.671 1.00 0.00 WT1 H ATOM 26146 OH2 TIP3 8997 5.330 -1.744 3.055 1.00 0.00 WT1 O ATOM 26147 H1 TIP3 8997 27.501 -1.357 27.795 1.00 0.00 WT1 H ATOM 26148 H2 TIP3 8997 17.554 -11.788 -25.230 1.00 0.00 WT1 H ATOM 26149 OH2 TIP3 8998 -1.238 -6.978 1.991 1.00 0.00 WT1 O ATOM 26150 H1 TIP3 8998 -5.266 28.532 26.062 1.00 0.00 WT1 H ATOM 26151 H2 TIP3 8998 -7.930 17.045 -3.713 1.00 0.00 WT1 H ATOM 26152 OH2 TIP3 8999 -2.237 -6.733 2.395 1.00 0.00 WT1 O ATOM 26153 H1 TIP3 8999 -3.756 -5.111 8.151 1.00 0.00 WT1 H ATOM 26154 H2 TIP3 8999 1.029 -9.300 -3.010 1.00 0.00 WT1 H ATOM 26155 OH2 TIP3 9000 -2.082 -4.010 -1.836 1.00 0.00 WT1 O ATOM 26156 H1 TIP3 9000 -21.759 14.677 2.501 1.00 0.00 WT1 H ATOM 26157 H2 TIP3 9000 8.601 -6.152 17.128 1.00 0.00 WT1 H ATOM 26158 OH2 TIP3 9001 1.958 1.917 3.127 1.00 0.00 WT1 O ATOM 26159 H1 TIP3 9001 19.118 -21.956 4.093 1.00 0.00 WT1 H ATOM 26160 H2 TIP3 9001 10.212 -0.039 -1.422 1.00 0.00 WT1 H ATOM 26161 OH2 TIP3 9002 -4.255 -4.935 3.360 1.00 0.00 WT1 O ATOM 26162 H1 TIP3 9002 6.775 -2.400 -6.030 1.00 0.00 WT1 H ATOM 26163 H2 TIP3 9002 -2.107 1.370 14.394 1.00 0.00 WT1 H ATOM 26164 OH2 TIP3 9003 4.172 4.575 1.194 1.00 0.00 WT1 O ATOM 26165 H1 TIP3 9003 -0.443 -3.353 16.730 1.00 0.00 WT1 H ATOM 26166 H2 TIP3 9003 -3.303 10.832 11.973 1.00 0.00 WT1 H ATOM 26167 OH2 TIP3 9004 3.567 -4.458 1.966 1.00 0.00 WT1 O ATOM 26168 H1 TIP3 9004 -1.147 2.495 1.335 1.00 0.00 WT1 H ATOM 26169 H2 TIP3 9004 -0.666 3.258 -1.306 1.00 0.00 WT1 H ATOM 26170 OH2 TIP3 9005 -0.224 -1.900 1.639 1.00 0.00 WT1 O ATOM 26171 H1 TIP3 9005 -2.608 4.568 10.752 1.00 0.00 WT1 H ATOM 26172 H2 TIP3 9005 2.352 5.632 12.591 1.00 0.00 WT1 H ATOM 26173 OH2 TIP3 9006 2.607 2.821 1.480 1.00 0.00 WT1 O ATOM 26174 H1 TIP3 9006 -18.411 5.606 -1.477 1.00 0.00 WT1 H ATOM 26175 H2 TIP3 9006 1.971 -1.549 7.405 1.00 0.00 WT1 H ATOM 26176 OH2 TIP3 9007 -2.841 -0.063 1.438 1.00 0.00 WT1 O ATOM 26177 H1 TIP3 9007 -3.109 4.783 -4.714 1.00 0.00 WT1 H ATOM 26178 H2 TIP3 9007 15.362 2.748 -6.431 1.00 0.00 WT1 H ATOM 26179 OH2 TIP3 9008 -0.639 -3.614 -0.464 1.00 0.00 WT1 O ATOM 26180 H1 TIP3 9008 4.453 0.521 -12.310 1.00 0.00 WT1 H ATOM 26181 H2 TIP3 9008 23.808 6.002 -27.633 1.00 0.00 WT1 H ATOM 26182 OH2 TIP3 9009 1.713 -0.758 3.148 1.00 0.00 WT1 O ATOM 26183 H1 TIP3 9009 -7.091 9.615 12.138 1.00 0.00 WT1 H ATOM 26184 H2 TIP3 9009 5.366 3.843 1.052 1.00 0.00 WT1 H ATOM 26185 OH2 TIP3 9010 0.707 0.473 1.198 1.00 0.00 WT1 O ATOM 26186 H1 TIP3 9010 4.563 -3.008 4.431 1.00 0.00 WT1 H ATOM 26187 H2 TIP3 9010 -9.380 12.624 -7.357 1.00 0.00 WT1 H ATOM 26188 OH2 TIP3 9011 2.184 4.610 -1.032 1.00 0.00 WT1 O ATOM 26189 H1 TIP3 9011 16.422 6.246 4.180 1.00 0.00 WT1 H ATOM 26190 H2 TIP3 9011 15.104 18.380 4.945 1.00 0.00 WT1 H ATOM 26191 OH2 TIP3 9012 7.978 0.769 0.127 1.00 0.00 WT1 O ATOM 26192 H1 TIP3 9012 22.486 -5.384 2.856 1.00 0.00 WT1 H ATOM 26193 H2 TIP3 9012 -35.964 18.090 -7.450 1.00 0.00 WT1 H ATOM 26194 OH2 TIP3 9013 -2.132 -2.617 -0.962 1.00 0.00 WT1 O ATOM 26195 H1 TIP3 9013 -9.372 6.464 -13.633 1.00 0.00 WT1 H ATOM 26196 H2 TIP3 9013 5.648 -12.919 14.839 1.00 0.00 WT1 H ATOM 26197 OH2 TIP3 9014 -2.522 -4.481 -1.710 1.00 0.00 WT1 O ATOM 26198 H1 TIP3 9014 1.061 -5.390 -0.582 1.00 0.00 WT1 H ATOM 26199 H2 TIP3 9014 -5.349 -3.283 -2.116 1.00 0.00 WT1 H ATOM 26200 OH2 TIP3 9015 -0.240 3.450 -4.649 1.00 0.00 WT1 O ATOM 26201 H1 TIP3 9015 -36.282 -34.848 21.827 1.00 0.00 WT1 H ATOM 26202 H2 TIP3 9015 5.202 6.885 38.400 1.00 0.00 WT1 H ATOM 26203 OH2 TIP3 9016 1.725 2.791 2.210 1.00 0.00 WT1 O ATOM 26204 H1 TIP3 9016 7.932 2.535 8.552 1.00 0.00 WT1 H ATOM 26205 H2 TIP3 9016 -3.708 3.229 -3.470 1.00 0.00 WT1 H ATOM 26206 OH2 TIP3 9017 -5.740 -7.440 2.750 1.00 0.00 WT1 O ATOM 26207 H1 TIP3 9017 -7.602 -24.995 -0.720 1.00 0.00 WT1 H ATOM 26208 H2 TIP3 9017 -10.253 12.966 -8.837 1.00 0.00 WT1 H ATOM 26209 OH2 TIP3 9018 4.947 0.119 4.578 1.00 0.00 WT1 O ATOM 26210 H1 TIP3 9018 26.588 2.425 12.352 1.00 0.00 WT1 H ATOM 26211 H2 TIP3 9018 21.648 4.425 6.378 1.00 0.00 WT1 H ATOM 26212 OH2 TIP3 9019 -2.245 1.745 1.846 1.00 0.00 WT1 O ATOM 26213 H1 TIP3 9019 -26.930 -3.968 -8.501 1.00 0.00 WT1 H ATOM 26214 H2 TIP3 9019 2.106 18.014 17.269 1.00 0.00 WT1 H ATOM 26215 OH2 TIP3 9020 -7.486 1.157 -8.183 1.00 0.00 WT1 O ATOM 26216 H1 TIP3 9020 4.093 18.975 -37.458 1.00 0.00 WT1 H ATOM 26217 H2 TIP3 9020 -3.277 6.266 -16.369 1.00 0.00 WT1 H ATOM 26218 OH2 TIP3 9021 -3.787 2.198 0.182 1.00 0.00 WT1 O ATOM 26219 H1 TIP3 9021 3.641 3.954 7.441 1.00 0.00 WT1 H ATOM 26220 H2 TIP3 9021 -14.062 5.980 -17.673 1.00 0.00 WT1 H ATOM 26221 OH2 TIP3 9022 -4.782 3.477 -0.391 1.00 0.00 WT1 O ATOM 26222 H1 TIP3 9022 -27.414 -3.246 -6.979 1.00 0.00 WT1 H ATOM 26223 H2 TIP3 9022 -21.327 -14.480 10.625 1.00 0.00 WT1 H ATOM 26224 OH2 TIP3 9023 0.332 0.910 -8.745 1.00 0.00 WT1 O ATOM 26225 H1 TIP3 9023 2.440 -0.088 0.441 1.00 0.00 WT1 H ATOM 26226 H2 TIP3 9023 8.123 -11.535 -0.953 1.00 0.00 WT1 H ATOM 26227 OH2 TIP3 9024 -6.384 4.989 1.163 1.00 0.00 WT1 O ATOM 26228 H1 TIP3 9024 -4.468 13.743 -2.244 1.00 0.00 WT1 H ATOM 26229 H2 TIP3 9024 -16.264 3.462 4.753 1.00 0.00 WT1 H ATOM 26230 OH2 TIP3 9025 -1.036 3.889 0.552 1.00 0.00 WT1 O ATOM 26231 H1 TIP3 9025 8.032 -16.862 7.582 1.00 0.00 WT1 H ATOM 26232 H2 TIP3 9025 -7.556 15.178 -3.380 1.00 0.00 WT1 H ATOM 26233 OH2 TIP3 9026 -2.304 -4.539 -1.958 1.00 0.00 WT1 O ATOM 26234 H1 TIP3 9026 -7.140 -9.780 -9.814 1.00 0.00 WT1 H ATOM 26235 H2 TIP3 9026 -8.806 -10.764 -13.193 1.00 0.00 WT1 H ATOM 26236 OH2 TIP3 9027 3.925 2.596 -5.548 1.00 0.00 WT1 O ATOM 26237 H1 TIP3 9027 3.464 4.370 -6.328 1.00 0.00 WT1 H ATOM 26238 H2 TIP3 9027 4.634 1.654 -7.561 1.00 0.00 WT1 H ATOM 26239 OH2 TIP3 9028 8.956 -2.859 -1.452 1.00 0.00 WT1 O ATOM 26240 H1 TIP3 9028 -14.568 -20.553 17.368 1.00 0.00 WT1 H ATOM 26241 H2 TIP3 9028 13.040 -11.626 -18.256 1.00 0.00 WT1 H ATOM 26242 OH2 TIP3 9029 -6.769 -1.520 -2.585 1.00 0.00 WT1 O ATOM 26243 H1 TIP3 9029 -8.353 -2.002 -3.076 1.00 0.00 WT1 H ATOM 26244 H2 TIP3 9029 -3.500 -1.176 -3.317 1.00 0.00 WT1 H ATOM 26245 OH2 TIP3 9030 1.289 -3.907 1.623 1.00 0.00 WT1 O ATOM 26246 H1 TIP3 9030 0.748 -5.604 23.311 1.00 0.00 WT1 H ATOM 26247 H2 TIP3 9030 -1.967 -16.884 13.135 1.00 0.00 WT1 H ATOM 26248 OH2 TIP3 9032 -1.569 -0.315 0.672 1.00 0.00 WT1 O ATOM 26249 H1 TIP3 9032 16.840 8.578 11.461 1.00 0.00 WT1 H ATOM 26250 H2 TIP3 9032 -11.741 19.393 25.834 1.00 0.00 WT1 H ATOM 26251 OH2 TIP3 9033 -2.700 1.591 -2.095 1.00 0.00 WT1 O ATOM 26252 H1 TIP3 9033 -1.687 1.216 -2.449 1.00 0.00 WT1 H ATOM 26253 H2 TIP3 9033 3.863 0.079 -3.807 1.00 0.00 WT1 H ATOM 26254 OH2 TIP3 9034 2.454 5.692 7.170 1.00 0.00 WT1 O ATOM 26255 H1 TIP3 9034 19.435 -3.292 13.420 1.00 0.00 WT1 H ATOM 26256 H2 TIP3 9034 1.355 2.450 -8.850 1.00 0.00 WT1 H ATOM 26257 OH2 TIP3 9035 -4.956 1.077 3.887 1.00 0.00 WT1 O ATOM 26258 H1 TIP3 9035 -4.177 0.309 6.911 1.00 0.00 WT1 H ATOM 26259 H2 TIP3 9035 -9.842 8.006 26.655 1.00 0.00 WT1 H ATOM 26260 OH2 TIP3 9036 -4.299 2.459 -4.504 1.00 0.00 WT1 O ATOM 26261 H1 TIP3 9036 -9.038 3.035 -3.718 1.00 0.00 WT1 H ATOM 26262 H2 TIP3 9036 -0.508 5.950 -5.612 1.00 0.00 WT1 H ATOM 26263 OH2 TIP3 9037 1.788 -0.268 -5.003 1.00 0.00 WT1 O ATOM 26264 H1 TIP3 9037 15.093 -4.633 1.917 1.00 0.00 WT1 H ATOM 26265 H2 TIP3 9037 -3.943 12.263 3.002 1.00 0.00 WT1 H ATOM 26266 OH2 TIP3 9038 -2.594 4.879 -1.719 1.00 0.00 WT1 O ATOM 26267 H1 TIP3 9038 6.231 4.088 -15.571 1.00 0.00 WT1 H ATOM 26268 H2 TIP3 9038 -10.246 3.880 6.444 1.00 0.00 WT1 H ATOM 26269 OH2 TIP3 9039 7.472 -3.230 -2.796 1.00 0.00 WT1 O ATOM 26270 H1 TIP3 9039 -12.165 2.595 -2.476 1.00 0.00 WT1 H ATOM 26271 H2 TIP3 9039 7.217 -17.659 -14.222 1.00 0.00 WT1 H ATOM 26272 OH2 TIP3 9040 0.775 2.603 -8.646 1.00 0.00 WT1 O ATOM 26273 H1 TIP3 9040 3.730 -12.185 -33.842 1.00 0.00 WT1 H ATOM 26274 H2 TIP3 9040 8.020 -24.129 6.453 1.00 0.00 WT1 H ATOM 26275 OH2 TIP3 9041 5.031 1.216 -8.093 1.00 0.00 WT1 O ATOM 26276 H1 TIP3 9041 -26.056 12.234 -8.142 1.00 0.00 WT1 H ATOM 26277 H2 TIP3 9041 5.343 -21.301 15.866 1.00 0.00 WT1 H ATOM 26278 OH2 TIP3 9042 3.550 -1.022 -7.190 1.00 0.00 WT1 O ATOM 26279 H1 TIP3 9042 16.447 6.279 -13.624 1.00 0.00 WT1 H ATOM 26280 H2 TIP3 9042 10.441 -12.191 -6.304 1.00 0.00 WT1 H ATOM 26281 OH2 TIP3 9043 -1.975 -4.094 -1.741 1.00 0.00 WT1 O ATOM 26282 H1 TIP3 9043 -22.511 -20.254 -13.548 1.00 0.00 WT1 H ATOM 26283 H2 TIP3 9043 1.148 3.527 0.336 1.00 0.00 WT1 H ATOM 26284 OH2 TIP3 9044 1.972 2.106 2.221 1.00 0.00 WT1 O ATOM 26285 H1 TIP3 9044 1.738 -2.567 -7.368 1.00 0.00 WT1 H ATOM 26286 H2 TIP3 9044 -9.920 8.986 0.822 1.00 0.00 WT1 H ATOM 26287 OH2 TIP3 9045 -3.628 4.361 1.371 1.00 0.00 WT1 O ATOM 26288 H1 TIP3 9045 7.750 -15.274 25.010 1.00 0.00 WT1 H ATOM 26289 H2 TIP3 9045 -11.061 20.629 -15.361 1.00 0.00 WT1 H ATOM 26290 OH2 TIP3 9046 2.960 -5.055 -5.928 1.00 0.00 WT1 O ATOM 26291 H1 TIP3 9046 -9.313 16.002 -6.328 1.00 0.00 WT1 H ATOM 26292 H2 TIP3 9046 0.138 -7.055 19.406 1.00 0.00 WT1 H ATOM 26293 OH2 TIP3 9047 0.785 -3.385 0.602 1.00 0.00 WT1 O ATOM 26294 H1 TIP3 9047 10.920 12.339 11.489 1.00 0.00 WT1 H ATOM 26295 H2 TIP3 9047 1.948 -18.063 -29.191 1.00 0.00 WT1 H ATOM 26296 OH2 TIP3 9048 -1.246 1.671 0.108 1.00 0.00 WT1 O ATOM 26297 H1 TIP3 9048 -0.626 -3.032 19.102 1.00 0.00 WT1 H ATOM 26298 H2 TIP3 9048 17.344 11.368 -3.159 1.00 0.00 WT1 H ATOM 26299 OH2 TIP3 9049 -1.513 8.078 1.154 1.00 0.00 WT1 O ATOM 26300 H1 TIP3 9049 -0.541 3.873 -2.683 1.00 0.00 WT1 H ATOM 26301 H2 TIP3 9049 -11.329 -17.923 -7.010 1.00 0.00 WT1 H ATOM 26302 OH2 TIP3 9050 -0.984 -3.632 -1.061 1.00 0.00 WT1 O ATOM 26303 H1 TIP3 9050 2.085 -13.095 3.016 1.00 0.00 WT1 H ATOM 26304 H2 TIP3 9050 -3.260 -1.013 -14.219 1.00 0.00 WT1 H ATOM 26305 OH2 TIP3 9051 2.205 -3.696 2.812 1.00 0.00 WT1 O ATOM 26306 H1 TIP3 9051 -4.606 17.415 -8.464 1.00 0.00 WT1 H ATOM 26307 H2 TIP3 9051 -6.983 12.740 1.429 1.00 0.00 WT1 H ATOM 26308 OH2 TIP3 9052 -0.595 3.488 5.401 1.00 0.00 WT1 O ATOM 26309 H1 TIP3 9052 -4.281 23.949 -2.785 1.00 0.00 WT1 H ATOM 26310 H2 TIP3 9052 5.499 -17.478 11.274 1.00 0.00 WT1 H ATOM 26311 OH2 TIP3 9053 -4.130 0.478 -1.563 1.00 0.00 WT1 O ATOM 26312 H1 TIP3 9053 -2.493 -1.289 -1.335 1.00 0.00 WT1 H ATOM 26313 H2 TIP3 9053 1.883 -15.483 -4.869 1.00 0.00 WT1 H ATOM 26314 OH2 TIP3 9054 2.885 0.339 2.625 1.00 0.00 WT1 O ATOM 26315 H1 TIP3 9054 9.280 8.364 16.310 1.00 0.00 WT1 H ATOM 26316 H2 TIP3 9054 18.108 -15.788 -10.018 1.00 0.00 WT1 H ATOM 26317 OH2 TIP3 9055 1.971 0.167 5.182 1.00 0.00 WT1 O ATOM 26318 H1 TIP3 9055 4.451 5.636 10.361 1.00 0.00 WT1 H ATOM 26319 H2 TIP3 9055 -0.613 -1.869 0.108 1.00 0.00 WT1 H ATOM 26320 OH2 TIP3 9056 1.571 8.867 5.424 1.00 0.00 WT1 O ATOM 26321 H1 TIP3 9056 5.795 -8.001 0.493 1.00 0.00 WT1 H ATOM 26322 H2 TIP3 9056 13.521 9.144 5.035 1.00 0.00 WT1 H ATOM 26323 OH2 TIP3 9057 0.345 -3.864 -3.359 1.00 0.00 WT1 O ATOM 26324 H1 TIP3 9057 1.343 -6.519 -19.684 1.00 0.00 WT1 H ATOM 26325 H2 TIP3 9057 -9.077 -5.161 -7.465 1.00 0.00 WT1 H ATOM 26326 OH2 TIP3 9058 9.277 4.797 -4.576 1.00 0.00 WT1 O ATOM 26327 H1 TIP3 9058 3.110 9.821 -8.948 1.00 0.00 WT1 H ATOM 26328 H2 TIP3 9058 18.784 -3.346 8.897 1.00 0.00 WT1 H ATOM 26329 OH2 TIP3 9059 -0.235 -0.133 -0.291 1.00 0.00 WT1 O ATOM 26330 H1 TIP3 9059 -10.617 -18.568 20.185 1.00 0.00 WT1 H ATOM 26331 H2 TIP3 9059 -10.407 24.892 3.240 1.00 0.00 WT1 H ATOM 26332 OH2 TIP3 9060 3.631 -2.712 -5.031 1.00 0.00 WT1 O ATOM 26333 H1 TIP3 9060 7.417 -3.690 -14.773 1.00 0.00 WT1 H ATOM 26334 H2 TIP3 9060 -0.449 6.961 -1.548 1.00 0.00 WT1 H ATOM 26335 OH2 TIP3 9061 2.219 -3.065 -9.548 1.00 0.00 WT1 O ATOM 26336 H1 TIP3 9061 16.014 0.514 4.588 1.00 0.00 WT1 H ATOM 26337 H2 TIP3 9061 7.654 22.788 5.981 1.00 0.00 WT1 H ATOM 26338 OH2 TIP3 9062 8.995 2.884 -3.452 1.00 0.00 WT1 O ATOM 26339 H1 TIP3 9062 25.619 7.751 1.393 1.00 0.00 WT1 H ATOM 26340 H2 TIP3 9062 16.823 19.566 12.655 1.00 0.00 WT1 H ATOM 26341 OH2 TIP3 9063 -3.031 -3.782 7.423 1.00 0.00 WT1 O ATOM 26342 H1 TIP3 9063 -8.544 -1.541 -16.914 1.00 0.00 WT1 H ATOM 26343 H2 TIP3 9063 15.191 -14.512 -2.649 1.00 0.00 WT1 H ATOM 26344 OH2 TIP3 9066 -1.563 -2.623 0.254 1.00 0.00 WT1 O ATOM 26345 H1 TIP3 9066 10.415 -7.223 16.528 1.00 0.00 WT1 H ATOM 26346 H2 TIP3 9066 -9.307 8.172 21.489 1.00 0.00 WT1 H ATOM 26347 OH2 TIP3 9067 -5.074 4.281 -1.298 1.00 0.00 WT1 O ATOM 26348 H1 TIP3 9067 11.420 7.125 20.841 1.00 0.00 WT1 H ATOM 26349 H2 TIP3 9067 0.715 8.357 -5.182 1.00 0.00 WT1 H ATOM 26350 OH2 TIP3 9070 3.622 -1.174 2.829 1.00 0.00 WT1 O ATOM 26351 H1 TIP3 9070 9.106 1.009 -0.471 1.00 0.00 WT1 H ATOM 26352 H2 TIP3 9070 -10.097 -7.993 12.339 1.00 0.00 WT1 H ATOM 26353 OH2 TIP3 9071 1.204 4.979 5.496 1.00 0.00 WT1 O ATOM 26354 H1 TIP3 9071 4.243 -1.623 6.036 1.00 0.00 WT1 H ATOM 26355 H2 TIP3 9071 22.187 -13.229 -5.562 1.00 0.00 WT1 H ATOM 26356 OH2 TIP3 9072 0.304 -1.818 1.269 1.00 0.00 WT1 O ATOM 26357 H1 TIP3 9072 4.853 -7.644 3.393 1.00 0.00 WT1 H ATOM 26358 H2 TIP3 9072 1.299 -12.835 24.343 1.00 0.00 WT1 H ATOM 26359 OH2 TIP3 9073 -0.052 1.927 -4.594 1.00 0.00 WT1 O ATOM 26360 H1 TIP3 9073 5.258 16.595 -3.504 1.00 0.00 WT1 H ATOM 26361 H2 TIP3 9073 -3.758 -4.378 11.644 1.00 0.00 WT1 H ATOM 26362 OH2 TIP3 9074 1.278 3.155 8.923 1.00 0.00 WT1 O ATOM 26363 H1 TIP3 9074 -12.015 -4.664 25.098 1.00 0.00 WT1 H ATOM 26364 H2 TIP3 9074 -1.159 3.207 11.472 1.00 0.00 WT1 H ATOM 26365 OH2 TIP3 9075 -0.606 -8.861 -1.033 1.00 0.00 WT1 O ATOM 26366 H1 TIP3 9075 8.013 -11.836 4.194 1.00 0.00 WT1 H ATOM 26367 H2 TIP3 9075 15.845 -19.595 -6.699 1.00 0.00 WT1 H ATOM 26368 OH2 TIP3 9076 -2.969 0.350 0.672 1.00 0.00 WT1 O ATOM 26369 H1 TIP3 9076 -7.025 34.653 3.405 1.00 0.00 WT1 H ATOM 26370 H2 TIP3 9076 24.073 3.760 23.145 1.00 0.00 WT1 H ATOM 26371 OH2 TIP3 9078 -10.867 3.942 -2.004 1.00 0.00 WT1 O ATOM 26372 H1 TIP3 9078 0.620 14.722 -4.499 1.00 0.00 WT1 H ATOM 26373 H2 TIP3 9078 21.490 4.676 11.703 1.00 0.00 WT1 H ATOM 26374 OH2 TIP3 9079 -0.239 -5.225 -0.180 1.00 0.00 WT1 O ATOM 26375 H1 TIP3 9079 -1.935 -2.335 2.108 1.00 0.00 WT1 H ATOM 26376 H2 TIP3 9079 4.069 0.153 -7.543 1.00 0.00 WT1 H ATOM 26377 OH2 TIP3 9080 3.733 7.003 5.331 1.00 0.00 WT1 O ATOM 26378 H1 TIP3 9080 -19.377 -29.886 36.290 1.00 0.00 WT1 H ATOM 26379 H2 TIP3 9080 -1.525 0.893 1.127 1.00 0.00 WT1 H ATOM 26380 OH2 TIP3 9081 3.050 -2.762 -2.395 1.00 0.00 WT1 O ATOM 26381 H1 TIP3 9081 5.680 -4.220 -5.126 1.00 0.00 WT1 H ATOM 26382 H2 TIP3 9081 -1.960 -7.614 14.365 1.00 0.00 WT1 H ATOM 26383 OH2 TIP3 9082 8.832 4.026 1.307 1.00 0.00 WT1 O ATOM 26384 H1 TIP3 9082 -11.134 -14.083 24.141 1.00 0.00 WT1 H ATOM 26385 H2 TIP3 9082 1.197 -13.230 32.741 1.00 0.00 WT1 H ATOM 26386 OH2 TIP3 9083 -2.505 1.424 3.594 1.00 0.00 WT1 O ATOM 26387 H1 TIP3 9083 -1.634 2.760 -0.351 1.00 0.00 WT1 H ATOM 26388 H2 TIP3 9083 18.033 -35.938 -2.729 1.00 0.00 WT1 H ATOM 26389 OH2 TIP3 9084 2.220 6.316 -4.749 1.00 0.00 WT1 O ATOM 26390 H1 TIP3 9084 -17.434 6.742 3.239 1.00 0.00 WT1 H ATOM 26391 H2 TIP3 9084 -10.423 -1.057 -1.344 1.00 0.00 WT1 H ATOM 26392 OH2 TIP3 9085 -8.112 4.765 1.598 1.00 0.00 WT1 O ATOM 26393 H1 TIP3 9085 3.581 -1.395 -1.327 1.00 0.00 WT1 H ATOM 26394 H2 TIP3 9085 -12.440 -8.559 -11.615 1.00 0.00 WT1 H ATOM 26395 OH2 TIP3 9086 3.170 -0.975 -0.348 1.00 0.00 WT1 O ATOM 26396 H1 TIP3 9086 1.500 -27.426 9.368 1.00 0.00 WT1 H ATOM 26397 H2 TIP3 9086 7.170 26.666 -7.748 1.00 0.00 WT1 H ATOM 26398 OH2 TIP3 9087 4.340 1.013 -2.975 1.00 0.00 WT1 O ATOM 26399 H1 TIP3 9087 10.148 -0.623 -10.272 1.00 0.00 WT1 H ATOM 26400 H2 TIP3 9087 7.600 15.224 -5.633 1.00 0.00 WT1 H ATOM 26401 OH2 TIP3 9088 -1.020 -3.617 -3.727 1.00 0.00 WT1 O ATOM 26402 H1 TIP3 9088 -15.202 5.673 6.951 1.00 0.00 WT1 H ATOM 26403 H2 TIP3 9088 8.295 2.676 -9.786 1.00 0.00 WT1 H ATOM 26404 OH2 TIP3 9089 3.568 -0.331 3.002 1.00 0.00 WT1 O ATOM 26405 H1 TIP3 9089 8.075 2.185 4.032 1.00 0.00 WT1 H ATOM 26406 H2 TIP3 9089 2.888 6.314 -4.311 1.00 0.00 WT1 H ATOM 26407 OH2 TIP3 9090 0.130 4.191 0.219 1.00 0.00 WT1 O ATOM 26408 H1 TIP3 9090 -21.314 5.072 -9.086 1.00 0.00 WT1 H ATOM 26409 H2 TIP3 9090 5.307 -18.061 4.665 1.00 0.00 WT1 H ATOM 26410 OH2 TIP3 9091 6.867 -1.435 -1.658 1.00 0.00 WT1 O ATOM 26411 H1 TIP3 9091 3.622 11.247 -5.411 1.00 0.00 WT1 H ATOM 26412 H2 TIP3 9091 -24.436 14.867 -19.604 1.00 0.00 WT1 H ATOM 26413 OH2 TIP3 9092 3.861 2.607 6.073 1.00 0.00 WT1 O ATOM 26414 H1 TIP3 9092 7.852 -7.301 10.439 1.00 0.00 WT1 H ATOM 26415 H2 TIP3 9092 9.814 10.824 11.043 1.00 0.00 WT1 H ATOM 26416 OH2 TIP3 9093 -0.597 0.391 2.449 1.00 0.00 WT1 O ATOM 26417 H1 TIP3 9093 2.361 1.321 -3.906 1.00 0.00 WT1 H ATOM 26418 H2 TIP3 9093 -1.555 0.695 4.052 1.00 0.00 WT1 H ATOM 26419 OH2 TIP3 9094 -7.017 1.201 -3.267 1.00 0.00 WT1 O ATOM 26420 H1 TIP3 9094 9.634 14.770 -22.440 1.00 0.00 WT1 H ATOM 26421 H2 TIP3 9094 0.734 11.837 -24.632 1.00 0.00 WT1 H ATOM 26422 OH2 TIP3 9095 6.975 7.740 -5.718 1.00 0.00 WT1 O ATOM 26423 H1 TIP3 9095 -5.722 8.934 -3.408 1.00 0.00 WT1 H ATOM 26424 H2 TIP3 9095 16.040 -4.642 6.861 1.00 0.00 WT1 H ATOM 26425 OH2 TIP3 9096 -1.267 1.829 -3.363 1.00 0.00 WT1 O ATOM 26426 H1 TIP3 9096 17.563 13.046 10.010 1.00 0.00 WT1 H ATOM 26427 H2 TIP3 9096 -17.176 17.188 -13.664 1.00 0.00 WT1 H ATOM 26428 OH2 TIP3 9097 2.711 7.229 -1.506 1.00 0.00 WT1 O ATOM 26429 H1 TIP3 9097 6.003 9.011 -3.079 1.00 0.00 WT1 H ATOM 26430 H2 TIP3 9097 1.039 16.939 -1.016 1.00 0.00 WT1 H ATOM 26431 OH2 TIP3 9098 1.678 -0.399 1.156 1.00 0.00 WT1 O ATOM 26432 H1 TIP3 9098 1.551 -23.715 -15.719 1.00 0.00 WT1 H ATOM 26433 H2 TIP3 9098 2.394 19.447 7.184 1.00 0.00 WT1 H ATOM 26434 OH2 TIP3 9099 2.436 0.488 2.182 1.00 0.00 WT1 O ATOM 26435 H1 TIP3 9099 4.442 -10.384 -2.985 1.00 0.00 WT1 H ATOM 26436 H2 TIP3 9099 10.093 -17.689 -5.199 1.00 0.00 WT1 H ATOM 26437 OH2 TIP3 9100 -1.108 -8.197 -2.108 1.00 0.00 WT1 O ATOM 26438 H1 TIP3 9100 -14.479 -9.585 5.767 1.00 0.00 WT1 H ATOM 26439 H2 TIP3 9100 -12.746 -9.648 -3.015 1.00 0.00 WT1 H ATOM 26440 OH2 TIP3 9101 -0.098 -0.518 -2.459 1.00 0.00 WT1 O ATOM 26441 H1 TIP3 9101 -13.603 -17.266 -26.073 1.00 0.00 WT1 H ATOM 26442 H2 TIP3 9101 -18.097 16.356 12.290 1.00 0.00 WT1 H ATOM 26443 OH2 TIP3 9102 0.782 -1.185 -11.084 1.00 0.00 WT1 O ATOM 26444 H1 TIP3 9102 8.809 -9.086 -12.444 1.00 0.00 WT1 H ATOM 26445 H2 TIP3 9102 -7.137 7.405 -18.006 1.00 0.00 WT1 H ATOM 26446 OH2 TIP3 9103 1.156 2.274 2.826 1.00 0.00 WT1 O ATOM 26447 H1 TIP3 9103 -3.052 -4.071 -20.502 1.00 0.00 WT1 H ATOM 26448 H2 TIP3 9103 4.314 5.109 15.853 1.00 0.00 WT1 H ATOM 26449 OH2 TIP3 9104 0.881 1.046 -0.903 1.00 0.00 WT1 O ATOM 26450 H1 TIP3 9104 8.097 -0.950 -3.397 1.00 0.00 WT1 H ATOM 26451 H2 TIP3 9104 -11.125 15.351 5.009 1.00 0.00 WT1 H ATOM 26452 OH2 TIP3 9105 2.345 4.918 -0.418 1.00 0.00 WT1 O ATOM 26453 H1 TIP3 9105 4.938 1.089 -8.315 1.00 0.00 WT1 H ATOM 26454 H2 TIP3 9105 -5.782 -14.792 -40.069 1.00 0.00 WT1 H ATOM 26455 OH2 TIP3 9106 -0.290 -1.842 4.341 1.00 0.00 WT1 O ATOM 26456 H1 TIP3 9106 -2.732 0.352 8.132 1.00 0.00 WT1 H ATOM 26457 H2 TIP3 9106 -5.017 -3.276 3.798 1.00 0.00 WT1 H ATOM 26458 OH2 TIP3 9107 -1.105 -1.817 3.433 1.00 0.00 WT1 O ATOM 26459 H1 TIP3 9107 -2.640 11.732 6.389 1.00 0.00 WT1 H ATOM 26460 H2 TIP3 9107 0.996 -14.346 -0.789 1.00 0.00 WT1 H ATOM 26461 OH2 TIP3 9108 -0.456 -4.226 -3.994 1.00 0.00 WT1 O ATOM 26462 H1 TIP3 9108 0.241 -20.113 -4.521 1.00 0.00 WT1 H ATOM 26463 H2 TIP3 9108 16.285 5.956 1.993 1.00 0.00 WT1 H ATOM 26464 OH2 TIP3 9109 -2.867 -2.449 0.638 1.00 0.00 WT1 O ATOM 26465 H1 TIP3 9109 -9.165 -8.885 11.900 1.00 0.00 WT1 H ATOM 26466 H2 TIP3 9109 7.636 -3.673 2.605 1.00 0.00 WT1 H ATOM 26467 OH2 TIP3 9110 -0.077 6.731 0.752 1.00 0.00 WT1 O ATOM 26468 H1 TIP3 9110 2.778 -1.441 -1.390 1.00 0.00 WT1 H ATOM 26469 H2 TIP3 9110 0.439 17.152 -0.179 1.00 0.00 WT1 H ATOM 26470 OH2 TIP3 9111 -5.670 -1.759 -2.583 1.00 0.00 WT1 O ATOM 26471 H1 TIP3 9111 -0.026 0.759 5.097 1.00 0.00 WT1 H ATOM 26472 H2 TIP3 9111 -24.540 8.743 -1.554 1.00 0.00 WT1 H ATOM 26473 OH2 TIP3 9112 -2.974 -0.322 -0.868 1.00 0.00 WT1 O ATOM 26474 H1 TIP3 9112 7.504 -16.216 13.437 1.00 0.00 WT1 H ATOM 26475 H2 TIP3 9112 -8.957 5.460 19.436 1.00 0.00 WT1 H ATOM 26476 OH2 TIP3 9113 1.776 0.563 -3.936 1.00 0.00 WT1 O ATOM 26477 H1 TIP3 9113 8.822 -7.598 17.966 1.00 0.00 WT1 H ATOM 26478 H2 TIP3 9113 2.956 -12.259 -3.671 1.00 0.00 WT1 H ATOM 26479 OH2 TIP3 9114 0.598 2.367 -4.528 1.00 0.00 WT1 O ATOM 26480 H1 TIP3 9114 -19.254 5.603 3.846 1.00 0.00 WT1 H ATOM 26481 H2 TIP3 9114 -17.788 12.803 15.458 1.00 0.00 WT1 H ATOM 26482 OH2 TIP3 9115 -5.258 2.551 -2.916 1.00 0.00 WT1 O ATOM 26483 H1 TIP3 9115 7.169 -1.409 -10.145 1.00 0.00 WT1 H ATOM 26484 H2 TIP3 9115 14.984 5.131 9.251 1.00 0.00 WT1 H ATOM 26485 OH2 TIP3 9116 -1.161 0.543 5.321 1.00 0.00 WT1 O ATOM 26486 H1 TIP3 9116 2.751 -18.299 -4.686 1.00 0.00 WT1 H ATOM 26487 H2 TIP3 9116 3.894 -38.394 -16.561 1.00 0.00 WT1 H ATOM 26488 OH2 TIP3 9117 -2.607 5.623 -0.972 1.00 0.00 WT1 O ATOM 26489 H1 TIP3 9117 -11.048 2.462 4.618 1.00 0.00 WT1 H ATOM 26490 H2 TIP3 9117 6.333 15.032 -8.063 1.00 0.00 WT1 H ATOM 26491 OH2 TIP3 9118 -3.598 4.218 -2.041 1.00 0.00 WT1 O ATOM 26492 H1 TIP3 9118 -18.561 -13.107 -0.242 1.00 0.00 WT1 H ATOM 26493 H2 TIP3 9118 0.564 7.980 -4.237 1.00 0.00 WT1 H ATOM 26494 OH2 TIP3 9119 1.088 0.384 1.741 1.00 0.00 WT1 O ATOM 26495 H1 TIP3 9119 -8.678 -23.308 3.898 1.00 0.00 WT1 H ATOM 26496 H2 TIP3 9119 2.147 13.893 -14.703 1.00 0.00 WT1 H ATOM 26497 OH2 TIP3 9120 -0.674 0.003 0.518 1.00 0.00 WT1 O ATOM 26498 H1 TIP3 9120 1.852 -0.277 1.287 1.00 0.00 WT1 H ATOM 26499 H2 TIP3 9120 1.722 6.916 15.377 1.00 0.00 WT1 H ATOM 26500 OH2 TIP3 9121 -3.660 3.187 2.446 1.00 0.00 WT1 O ATOM 26501 H1 TIP3 9121 8.991 14.987 3.252 1.00 0.00 WT1 H ATOM 26502 H2 TIP3 9121 -17.143 4.089 -6.600 1.00 0.00 WT1 H ATOM 26503 OH2 TIP3 9122 0.386 -7.036 4.597 1.00 0.00 WT1 O ATOM 26504 H1 TIP3 9122 4.130 -6.695 -3.604 1.00 0.00 WT1 H ATOM 26505 H2 TIP3 9122 -4.277 -18.318 4.386 1.00 0.00 WT1 H ATOM 26506 OH2 TIP3 9123 0.245 -7.447 3.357 1.00 0.00 WT1 O ATOM 26507 H1 TIP3 9123 -4.214 -2.261 16.990 1.00 0.00 WT1 H ATOM 26508 H2 TIP3 9123 15.802 -3.809 -8.784 1.00 0.00 WT1 H ATOM 26509 OH2 TIP3 9124 -2.886 0.808 -0.145 1.00 0.00 WT1 O ATOM 26510 H1 TIP3 9124 5.053 3.479 -8.118 1.00 0.00 WT1 H ATOM 26511 H2 TIP3 9124 -15.814 -10.881 12.004 1.00 0.00 WT1 H ATOM 26512 OH2 TIP3 9125 -0.182 -2.673 -3.857 1.00 0.00 WT1 O ATOM 26513 H1 TIP3 9125 -12.006 16.013 -2.891 1.00 0.00 WT1 H ATOM 26514 H2 TIP3 9125 7.383 1.649 24.204 1.00 0.00 WT1 H ATOM 26515 OH2 TIP3 9126 0.047 -9.364 -1.083 1.00 0.00 WT1 O ATOM 26516 H1 TIP3 9126 -18.427 9.810 -16.327 1.00 0.00 WT1 H ATOM 26517 H2 TIP3 9126 9.902 -7.093 -0.125 1.00 0.00 WT1 H ATOM 26518 OH2 TIP3 9127 -0.667 0.282 -1.409 1.00 0.00 WT1 O ATOM 26519 H1 TIP3 9127 -3.794 -13.951 3.800 1.00 0.00 WT1 H ATOM 26520 H2 TIP3 9127 11.073 12.350 -6.379 1.00 0.00 WT1 H ATOM 26521 OH2 TIP3 9128 -0.321 -2.559 -7.990 1.00 0.00 WT1 O ATOM 26522 H1 TIP3 9128 18.194 -17.760 -0.317 1.00 0.00 WT1 H ATOM 26523 H2 TIP3 9128 2.764 11.848 1.360 1.00 0.00 WT1 H ATOM 26524 OH2 TIP3 9129 -5.021 1.745 0.367 1.00 0.00 WT1 O ATOM 26525 H1 TIP3 9129 -12.327 3.434 2.655 1.00 0.00 WT1 H ATOM 26526 H2 TIP3 9129 -23.731 12.490 9.102 1.00 0.00 WT1 H ATOM 26527 OH2 TIP3 9130 -6.398 2.079 -3.145 1.00 0.00 WT1 O ATOM 26528 H1 TIP3 9130 -21.387 -8.080 9.018 1.00 0.00 WT1 H ATOM 26529 H2 TIP3 9130 -8.394 -1.119 -5.102 1.00 0.00 WT1 H ATOM 26530 OH2 TIP3 9131 0.545 3.145 -3.045 1.00 0.00 WT1 O ATOM 26531 H1 TIP3 9131 -24.040 -2.879 -13.809 1.00 0.00 WT1 H ATOM 26532 H2 TIP3 9131 5.380 -4.128 5.314 1.00 0.00 WT1 H ATOM 26533 OH2 TIP3 9132 -2.038 -10.391 3.860 1.00 0.00 WT1 O ATOM 26534 H1 TIP3 9132 -13.964 -9.917 6.663 1.00 0.00 WT1 H ATOM 26535 H2 TIP3 9132 -4.394 -10.807 -0.972 1.00 0.00 WT1 H ATOM 26536 OH2 TIP3 9134 -0.316 0.632 -4.663 1.00 0.00 WT1 O ATOM 26537 H1 TIP3 9134 -3.131 -12.650 14.964 1.00 0.00 WT1 H ATOM 26538 H2 TIP3 9134 3.865 16.697 -1.434 1.00 0.00 WT1 H ATOM 26539 OH2 TIP3 9135 -6.511 0.620 0.333 1.00 0.00 WT1 O ATOM 26540 H1 TIP3 9135 -8.452 20.068 2.896 1.00 0.00 WT1 H ATOM 26541 H2 TIP3 9135 -5.494 -7.917 19.647 1.00 0.00 WT1 H ATOM 26542 OH2 TIP3 9136 5.721 -1.285 -1.900 1.00 0.00 WT1 O ATOM 26543 H1 TIP3 9136 -5.382 -2.724 -15.117 1.00 0.00 WT1 H ATOM 26544 H2 TIP3 9136 28.568 1.215 -3.811 1.00 0.00 WT1 H ATOM 26545 OH2 TIP3 9138 1.358 -2.414 2.432 1.00 0.00 WT1 O ATOM 26546 H1 TIP3 9138 0.970 11.583 -2.585 1.00 0.00 WT1 H ATOM 26547 H2 TIP3 9138 -3.559 -10.915 -9.470 1.00 0.00 WT1 H ATOM 26548 OH2 TIP3 9139 -1.410 -4.154 -3.131 1.00 0.00 WT1 O ATOM 26549 H1 TIP3 9139 1.907 18.948 7.534 1.00 0.00 WT1 H ATOM 26550 H2 TIP3 9139 -15.470 7.308 4.827 1.00 0.00 WT1 H ATOM 26551 OH2 TIP3 9140 -0.340 -6.506 -3.216 1.00 0.00 WT1 O ATOM 26552 H1 TIP3 9140 -1.499 -3.583 -5.775 1.00 0.00 WT1 H ATOM 26553 H2 TIP3 9140 5.444 -22.969 -4.763 1.00 0.00 WT1 H ATOM 26554 OH2 TIP3 9141 4.705 -1.457 5.507 1.00 0.00 WT1 O ATOM 26555 H1 TIP3 9141 -12.421 -4.232 14.888 1.00 0.00 WT1 H ATOM 26556 H2 TIP3 9141 4.187 6.389 1.792 1.00 0.00 WT1 H ATOM 26557 OH2 TIP3 9142 -0.318 -5.276 0.539 1.00 0.00 WT1 O ATOM 26558 H1 TIP3 9142 22.025 -6.908 -35.759 1.00 0.00 WT1 H ATOM 26559 H2 TIP3 9142 -14.586 -6.323 19.279 1.00 0.00 WT1 H ATOM 26560 OH2 TIP3 9144 1.859 4.651 -1.816 1.00 0.00 WT1 O ATOM 26561 H1 TIP3 9144 7.776 -6.153 4.728 1.00 0.00 WT1 H ATOM 26562 H2 TIP3 9144 -4.016 -0.836 29.690 1.00 0.00 WT1 H ATOM 26563 OH2 TIP3 9145 0.829 4.850 0.826 1.00 0.00 WT1 O ATOM 26564 H1 TIP3 9145 -0.531 18.827 -3.385 1.00 0.00 WT1 H ATOM 26565 H2 TIP3 9145 2.297 18.387 -3.090 1.00 0.00 WT1 H ATOM 26566 OH2 TIP3 9146 -10.536 1.312 1.548 1.00 0.00 WT1 O ATOM 26567 H1 TIP3 9146 -12.411 4.177 -9.212 1.00 0.00 WT1 H ATOM 26568 H2 TIP3 9146 -13.480 5.159 14.386 1.00 0.00 WT1 H ATOM 26569 OH2 TIP3 9147 2.104 4.326 -8.277 1.00 0.00 WT1 O ATOM 26570 H1 TIP3 9147 -7.621 13.125 -11.747 1.00 0.00 WT1 H ATOM 26571 H2 TIP3 9147 7.454 6.401 -1.237 1.00 0.00 WT1 H ATOM 26572 OH2 TIP3 9148 -2.328 1.453 -0.247 1.00 0.00 WT1 O ATOM 26573 H1 TIP3 9148 1.361 16.643 6.171 1.00 0.00 WT1 H ATOM 26574 H2 TIP3 9148 -18.299 4.012 -8.883 1.00 0.00 WT1 H ATOM 26575 OH2 TIP3 9149 4.454 2.637 1.085 1.00 0.00 WT1 O ATOM 26576 H1 TIP3 9149 -2.248 12.275 5.765 1.00 0.00 WT1 H ATOM 26577 H2 TIP3 9149 15.975 -28.918 -14.465 1.00 0.00 WT1 H ATOM 26578 OH2 TIP3 9150 -1.056 -0.554 5.589 1.00 0.00 WT1 O ATOM 26579 H1 TIP3 9150 1.883 -9.554 -13.113 1.00 0.00 WT1 H ATOM 26580 H2 TIP3 9150 -4.085 -4.887 -22.977 1.00 0.00 WT1 H ATOM 26581 OH2 TIP3 9152 -2.955 -1.629 -5.590 1.00 0.00 WT1 O ATOM 26582 H1 TIP3 9152 -24.063 -14.442 -0.714 1.00 0.00 WT1 H ATOM 26583 H2 TIP3 9152 7.765 5.985 -3.628 1.00 0.00 WT1 H ATOM 26584 OH2 TIP3 9153 -2.161 -1.819 -1.895 1.00 0.00 WT1 O ATOM 26585 H1 TIP3 9153 2.751 -3.473 3.721 1.00 0.00 WT1 H ATOM 26586 H2 TIP3 9153 -5.113 -8.239 0.435 1.00 0.00 WT1 H ATOM 26587 OH2 TIP3 9154 3.416 -0.473 -2.948 1.00 0.00 WT1 O ATOM 26588 H1 TIP3 9154 14.844 -0.289 12.467 1.00 0.00 WT1 H ATOM 26589 H2 TIP3 9154 30.397 30.000 -2.242 1.00 0.00 WT1 H ATOM 26590 OH2 TIP3 9155 1.785 0.894 1.870 1.00 0.00 WT1 O ATOM 26591 H1 TIP3 9155 21.859 16.329 11.594 1.00 0.00 WT1 H ATOM 26592 H2 TIP3 9155 0.683 2.625 -12.637 1.00 0.00 WT1 H ATOM 26593 OH2 TIP3 9156 -4.707 -4.252 -3.223 1.00 0.00 WT1 O ATOM 26594 H1 TIP3 9156 -23.231 -0.440 -6.012 1.00 0.00 WT1 H ATOM 26595 H2 TIP3 9156 4.470 -5.009 -3.659 1.00 0.00 WT1 H ATOM 26596 OH2 TIP3 9157 3.720 0.771 0.788 1.00 0.00 WT1 O ATOM 26597 H1 TIP3 9157 7.628 15.517 6.964 1.00 0.00 WT1 H ATOM 26598 H2 TIP3 9157 -9.858 24.775 -18.847 1.00 0.00 WT1 H ATOM 26599 OH2 TIP3 9158 6.037 -1.590 0.641 1.00 0.00 WT1 O ATOM 26600 H1 TIP3 9158 -4.556 -13.352 3.746 1.00 0.00 WT1 H ATOM 26601 H2 TIP3 9158 20.913 -4.143 0.558 1.00 0.00 WT1 H ATOM 26602 OH2 TIP3 9159 -1.837 3.313 -0.044 1.00 0.00 WT1 O ATOM 26603 H1 TIP3 9159 -9.232 -0.545 -10.502 1.00 0.00 WT1 H ATOM 26604 H2 TIP3 9159 10.446 16.493 -24.255 1.00 0.00 WT1 H ATOM 26605 OH2 TIP3 9160 -1.001 -1.663 0.240 1.00 0.00 WT1 O ATOM 26606 H1 TIP3 9160 8.376 10.528 -2.998 1.00 0.00 WT1 H ATOM 26607 H2 TIP3 9160 6.511 -29.905 0.349 1.00 0.00 WT1 H ATOM 26608 OH2 TIP3 9161 5.793 -4.030 3.232 1.00 0.00 WT1 O ATOM 26609 H1 TIP3 9161 1.209 -10.994 18.224 1.00 0.00 WT1 H ATOM 26610 H2 TIP3 9161 -21.350 -4.877 -7.991 1.00 0.00 WT1 H ATOM 26611 OH2 TIP3 9162 7.730 -2.338 -5.363 1.00 0.00 WT1 O ATOM 26612 H1 TIP3 9162 20.652 14.108 -17.424 1.00 0.00 WT1 H ATOM 26613 H2 TIP3 9162 -17.577 0.089 -17.970 1.00 0.00 WT1 H ATOM 26614 OH2 TIP3 9163 1.234 5.040 1.382 1.00 0.00 WT1 O ATOM 26615 H1 TIP3 9163 -25.260 10.129 5.763 1.00 0.00 WT1 H ATOM 26616 H2 TIP3 9163 0.889 14.171 -8.000 1.00 0.00 WT1 H ATOM 26617 OH2 TIP3 9164 2.278 2.821 -3.623 1.00 0.00 WT1 O ATOM 26618 H1 TIP3 9164 2.992 19.894 -19.483 1.00 0.00 WT1 H ATOM 26619 H2 TIP3 9164 3.678 15.217 -6.951 1.00 0.00 WT1 H ATOM 26620 OH2 TIP3 9165 3.745 -6.533 -1.363 1.00 0.00 WT1 O ATOM 26621 H1 TIP3 9165 6.881 16.817 -32.169 1.00 0.00 WT1 H ATOM 26622 H2 TIP3 9165 -12.490 -17.915 9.853 1.00 0.00 WT1 H ATOM 26623 OH2 TIP3 9166 -2.009 2.684 -0.141 1.00 0.00 WT1 O ATOM 26624 H1 TIP3 9166 -7.620 2.819 1.658 1.00 0.00 WT1 H ATOM 26625 H2 TIP3 9166 1.055 -2.179 2.586 1.00 0.00 WT1 H ATOM 26626 OH2 TIP3 9167 4.222 -1.253 -6.748 1.00 0.00 WT1 O ATOM 26627 H1 TIP3 9167 -6.720 18.103 -14.902 1.00 0.00 WT1 H ATOM 26628 H2 TIP3 9167 -0.050 -3.329 -8.626 1.00 0.00 WT1 H ATOM 26629 OH2 TIP3 9168 3.542 -0.168 7.155 1.00 0.00 WT1 O ATOM 26630 H1 TIP3 9168 -13.956 11.425 0.197 1.00 0.00 WT1 H ATOM 26631 H2 TIP3 9168 -7.324 2.602 7.950 1.00 0.00 WT1 H ATOM 26632 OH2 TIP3 9169 2.855 0.838 -4.033 1.00 0.00 WT1 O ATOM 26633 H1 TIP3 9169 -4.830 1.602 5.161 1.00 0.00 WT1 H ATOM 26634 H2 TIP3 9169 2.623 -12.515 -8.483 1.00 0.00 WT1 H ATOM 26635 OH2 TIP3 9170 -3.918 -1.738 -1.722 1.00 0.00 WT1 O ATOM 26636 H1 TIP3 9170 1.147 4.295 -15.996 1.00 0.00 WT1 H ATOM 26637 H2 TIP3 9170 6.161 6.910 16.149 1.00 0.00 WT1 H ATOM 26638 OH2 TIP3 9171 -4.366 5.736 -6.356 1.00 0.00 WT1 O ATOM 26639 H1 TIP3 9171 7.956 13.563 -3.940 1.00 0.00 WT1 H ATOM 26640 H2 TIP3 9171 -16.235 12.349 -2.012 1.00 0.00 WT1 H ATOM 26641 OH2 TIP3 9172 4.352 -2.872 2.719 1.00 0.00 WT1 O ATOM 26642 H1 TIP3 9172 -5.606 -15.259 16.983 1.00 0.00 WT1 H ATOM 26643 H2 TIP3 9172 17.345 14.209 -14.563 1.00 0.00 WT1 H ATOM 26644 OH2 TIP3 9173 1.968 -7.572 -6.577 1.00 0.00 WT1 O ATOM 26645 H1 TIP3 9173 4.312 4.220 -1.718 1.00 0.00 WT1 H ATOM 26646 H2 TIP3 9173 4.281 -11.818 -13.222 1.00 0.00 WT1 H ATOM 26647 OH2 TIP3 9174 -1.514 2.096 0.825 1.00 0.00 WT1 O ATOM 26648 H1 TIP3 9174 -3.108 1.571 3.148 1.00 0.00 WT1 H ATOM 26649 H2 TIP3 9174 -5.599 -1.195 -3.332 1.00 0.00 WT1 H ATOM 26650 OH2 TIP3 9175 3.331 -0.696 -10.247 1.00 0.00 WT1 O ATOM 26651 H1 TIP3 9175 5.694 14.868 7.699 1.00 0.00 WT1 H ATOM 26652 H2 TIP3 9175 0.174 -10.252 -34.221 1.00 0.00 WT1 H ATOM 26653 OH2 TIP3 9176 -2.208 -5.083 2.596 1.00 0.00 WT1 O ATOM 26654 H1 TIP3 9176 1.023 -8.727 11.400 1.00 0.00 WT1 H ATOM 26655 H2 TIP3 9176 7.216 2.981 2.056 1.00 0.00 WT1 H ATOM 26656 OH2 TIP3 9177 -6.809 0.557 -0.829 1.00 0.00 WT1 O ATOM 26657 H1 TIP3 9177 2.095 9.525 12.813 1.00 0.00 WT1 H ATOM 26658 H2 TIP3 9177 -0.293 0.364 -12.931 1.00 0.00 WT1 H ATOM 26659 OH2 TIP3 9178 -1.153 -0.665 -4.163 1.00 0.00 WT1 O ATOM 26660 H1 TIP3 9178 21.117 -4.838 -9.994 1.00 0.00 WT1 H ATOM 26661 H2 TIP3 9178 0.720 7.620 -2.767 1.00 0.00 WT1 H ATOM 26662 OH2 TIP3 9179 -0.205 -0.955 -4.071 1.00 0.00 WT1 O ATOM 26663 H1 TIP3 9179 0.617 -3.833 6.898 1.00 0.00 WT1 H ATOM 26664 H2 TIP3 9179 -9.475 -4.123 -1.998 1.00 0.00 WT1 H ATOM 26665 OH2 TIP3 9180 0.864 -0.044 0.798 1.00 0.00 WT1 O ATOM 26666 H1 TIP3 9180 7.520 5.869 5.696 1.00 0.00 WT1 H ATOM 26667 H2 TIP3 9180 4.424 0.591 -8.605 1.00 0.00 WT1 H ATOM 26668 OH2 TIP3 9181 2.577 -3.695 -4.373 1.00 0.00 WT1 O ATOM 26669 H1 TIP3 9181 1.912 -9.953 -4.284 1.00 0.00 WT1 H ATOM 26670 H2 TIP3 9181 0.997 5.984 -5.641 1.00 0.00 WT1 H ATOM 26671 OH2 TIP3 9182 0.155 3.507 4.062 1.00 0.00 WT1 O ATOM 26672 H1 TIP3 9182 -6.040 10.908 9.481 1.00 0.00 WT1 H ATOM 26673 H2 TIP3 9182 -3.866 1.731 0.728 1.00 0.00 WT1 H ATOM 26674 OH2 TIP3 9183 -0.293 -3.607 4.283 1.00 0.00 WT1 O ATOM 26675 H1 TIP3 9183 8.530 10.699 3.335 1.00 0.00 WT1 H ATOM 26676 H2 TIP3 9183 -18.027 4.286 13.744 1.00 0.00 WT1 H ATOM 26677 OH2 TIP3 9184 2.751 7.328 -5.943 1.00 0.00 WT1 O ATOM 26678 H1 TIP3 9184 -0.434 4.359 14.295 1.00 0.00 WT1 H ATOM 26679 H2 TIP3 9184 15.088 -7.806 -12.447 1.00 0.00 WT1 H ATOM 26680 OH2 TIP3 9185 3.164 3.997 -3.174 1.00 0.00 WT1 O ATOM 26681 H1 TIP3 9185 -1.841 -10.759 -23.805 1.00 0.00 WT1 H ATOM 26682 H2 TIP3 9185 7.558 19.016 -20.418 1.00 0.00 WT1 H ATOM 26683 OH2 TIP3 9186 3.374 -1.628 0.741 1.00 0.00 WT1 O ATOM 26684 H1 TIP3 9186 7.615 13.758 10.682 1.00 0.00 WT1 H ATOM 26685 H2 TIP3 9186 2.943 5.900 -0.074 1.00 0.00 WT1 H ATOM 26686 OH2 TIP3 9187 -3.454 -4.415 -3.860 1.00 0.00 WT1 O ATOM 26687 H1 TIP3 9187 2.308 6.555 -8.270 1.00 0.00 WT1 H ATOM 26688 H2 TIP3 9187 -5.757 -10.914 1.129 1.00 0.00 WT1 H ATOM 26689 OH2 TIP3 9188 1.449 -1.461 -8.524 1.00 0.00 WT1 O ATOM 26690 H1 TIP3 9188 4.848 4.570 -10.913 1.00 0.00 WT1 H ATOM 26691 H2 TIP3 9188 44.356 1.251 35.786 1.00 0.00 WT1 H ATOM 26692 OH2 TIP3 9189 0.727 5.555 6.327 1.00 0.00 WT1 O ATOM 26693 H1 TIP3 9189 7.895 -7.916 -16.267 1.00 0.00 WT1 H ATOM 26694 H2 TIP3 9189 -3.656 -1.930 13.694 1.00 0.00 WT1 H ATOM 26695 OH2 TIP3 9190 2.865 -0.769 3.530 1.00 0.00 WT1 O ATOM 26696 H1 TIP3 9190 6.542 29.842 -5.926 1.00 0.00 WT1 H ATOM 26697 H2 TIP3 9190 7.508 10.305 -27.871 1.00 0.00 WT1 H ATOM 26698 OH2 TIP3 9191 5.942 2.999 -1.896 1.00 0.00 WT1 O ATOM 26699 H1 TIP3 9191 3.022 2.035 -2.391 1.00 0.00 WT1 H ATOM 26700 H2 TIP3 9191 17.841 5.787 1.632 1.00 0.00 WT1 H ATOM 26701 OH2 TIP3 9192 1.223 -1.860 3.253 1.00 0.00 WT1 O ATOM 26702 H1 TIP3 9192 8.904 4.457 -3.801 1.00 0.00 WT1 H ATOM 26703 H2 TIP3 9192 14.173 -11.830 -1.961 1.00 0.00 WT1 H ATOM 26704 OH2 TIP3 9193 -2.979 0.716 -4.656 1.00 0.00 WT1 O ATOM 26705 H1 TIP3 9193 -9.294 6.778 4.044 1.00 0.00 WT1 H ATOM 26706 H2 TIP3 9193 -6.111 -3.534 -2.291 1.00 0.00 WT1 H ATOM 26707 OH2 TIP3 9194 2.264 4.312 0.356 1.00 0.00 WT1 O ATOM 26708 H1 TIP3 9194 3.988 10.594 -1.341 1.00 0.00 WT1 H ATOM 26709 H2 TIP3 9194 4.622 6.723 0.884 1.00 0.00 WT1 H ATOM 26710 OH2 TIP3 9195 -0.798 -3.263 -3.841 1.00 0.00 WT1 O ATOM 26711 H1 TIP3 9195 -16.570 7.867 -3.063 1.00 0.00 WT1 H ATOM 26712 H2 TIP3 9195 -2.841 -7.048 -11.894 1.00 0.00 WT1 H ATOM 26713 OH2 TIP3 9196 -4.128 5.470 -4.023 1.00 0.00 WT1 O ATOM 26714 H1 TIP3 9196 2.539 18.753 -7.781 1.00 0.00 WT1 H ATOM 26715 H2 TIP3 9196 -24.496 15.172 -21.013 1.00 0.00 WT1 H ATOM 26716 OH2 TIP3 9197 -1.438 -5.455 -0.736 1.00 0.00 WT1 O ATOM 26717 H1 TIP3 9197 4.520 -27.539 10.984 1.00 0.00 WT1 H ATOM 26718 H2 TIP3 9197 2.607 9.321 -20.061 1.00 0.00 WT1 H ATOM 26719 OH2 TIP3 9198 1.835 5.501 1.009 1.00 0.00 WT1 O ATOM 26720 H1 TIP3 9198 -0.804 6.430 3.460 1.00 0.00 WT1 H ATOM 26721 H2 TIP3 9198 4.458 13.317 3.052 1.00 0.00 WT1 H ATOM 26722 OH2 TIP3 9199 -1.077 -4.473 4.500 1.00 0.00 WT1 O ATOM 26723 H1 TIP3 9199 -0.382 -8.858 7.756 1.00 0.00 WT1 H ATOM 26724 H2 TIP3 9199 -6.232 -3.475 2.816 1.00 0.00 WT1 H ATOM 26725 OH2 TIP3 9200 3.867 7.509 5.007 1.00 0.00 WT1 O ATOM 26726 H1 TIP3 9200 9.419 3.952 12.175 1.00 0.00 WT1 H ATOM 26727 H2 TIP3 9200 7.459 5.363 2.626 1.00 0.00 WT1 H ATOM 26728 OH2 TIP3 9201 -0.048 -1.415 4.191 1.00 0.00 WT1 O ATOM 26729 H1 TIP3 9201 -0.607 -9.071 22.936 1.00 0.00 WT1 H ATOM 26730 H2 TIP3 9201 8.162 3.503 -22.448 1.00 0.00 WT1 H ATOM 26731 OH2 TIP3 9202 -0.963 0.836 -0.585 1.00 0.00 WT1 O ATOM 26732 H1 TIP3 9202 6.896 -7.560 1.130 1.00 0.00 WT1 H ATOM 26733 H2 TIP3 9202 8.729 7.745 -5.604 1.00 0.00 WT1 H ATOM 26734 OH2 TIP3 9203 -1.626 3.080 4.440 1.00 0.00 WT1 O ATOM 26735 H1 TIP3 9203 -3.342 12.077 -4.520 1.00 0.00 WT1 H ATOM 26736 H2 TIP3 9203 13.087 6.789 7.920 1.00 0.00 WT1 H ATOM 26737 OH2 TIP3 9204 -1.429 1.439 -0.858 1.00 0.00 WT1 O ATOM 26738 H1 TIP3 9204 -12.294 9.171 5.077 1.00 0.00 WT1 H ATOM 26739 H2 TIP3 9204 0.284 14.286 -3.147 1.00 0.00 WT1 H ATOM 26740 OH2 TIP3 9205 0.347 6.661 -4.790 1.00 0.00 WT1 O ATOM 26741 H1 TIP3 9205 -6.151 -3.342 -7.820 1.00 0.00 WT1 H ATOM 26742 H2 TIP3 9205 -9.050 -8.741 -10.217 1.00 0.00 WT1 H ATOM 26743 OH2 TIP3 9206 4.390 -0.721 -2.817 1.00 0.00 WT1 O ATOM 26744 H1 TIP3 9206 -10.978 -0.145 -6.504 1.00 0.00 WT1 H ATOM 26745 H2 TIP3 9206 5.135 2.106 2.835 1.00 0.00 WT1 H ATOM 26746 OH2 TIP3 9207 -1.076 3.207 -7.664 1.00 0.00 WT1 O ATOM 26747 H1 TIP3 9207 -0.756 4.869 1.321 1.00 0.00 WT1 H ATOM 26748 H2 TIP3 9207 -7.731 -3.948 -7.446 1.00 0.00 WT1 H ATOM 26749 OH2 TIP3 9208 2.963 -2.040 0.453 1.00 0.00 WT1 O ATOM 26750 H1 TIP3 9208 -10.152 21.012 17.114 1.00 0.00 WT1 H ATOM 26751 H2 TIP3 9208 -12.360 4.575 -17.597 1.00 0.00 WT1 H ATOM 26752 OH2 TIP3 9209 -2.055 -0.134 0.057 1.00 0.00 WT1 O ATOM 26753 H1 TIP3 9209 0.383 -2.978 3.634 1.00 0.00 WT1 H ATOM 26754 H2 TIP3 9209 9.912 -8.417 1.482 1.00 0.00 WT1 H ATOM 26755 OH2 TIP3 9210 -1.426 1.657 -0.370 1.00 0.00 WT1 O ATOM 26756 H1 TIP3 9210 -3.584 -3.623 1.070 1.00 0.00 WT1 H ATOM 26757 H2 TIP3 9210 -7.176 2.843 0.681 1.00 0.00 WT1 H ATOM 26758 OH2 TIP3 9211 3.512 0.675 0.257 1.00 0.00 WT1 O ATOM 26759 H1 TIP3 9211 9.046 7.433 22.233 1.00 0.00 WT1 H ATOM 26760 H2 TIP3 9211 -7.606 -4.593 6.405 1.00 0.00 WT1 H ATOM 26761 OH2 TIP3 9212 4.864 -0.039 1.707 1.00 0.00 WT1 O ATOM 26762 H1 TIP3 9212 4.451 13.228 12.360 1.00 0.00 WT1 H ATOM 26763 H2 TIP3 9212 -6.970 4.440 -5.318 1.00 0.00 WT1 H ATOM 26764 OH2 TIP3 9213 -1.062 3.770 -1.012 1.00 0.00 WT1 O ATOM 26765 H1 TIP3 9213 -25.018 1.705 2.680 1.00 0.00 WT1 H ATOM 26766 H2 TIP3 9213 14.001 7.399 19.625 1.00 0.00 WT1 H ATOM 26767 OH2 TIP3 9214 -5.629 -1.322 1.271 1.00 0.00 WT1 O ATOM 26768 H1 TIP3 9214 -5.379 -1.294 5.052 1.00 0.00 WT1 H ATOM 26769 H2 TIP3 9214 -11.738 3.916 10.212 1.00 0.00 WT1 H ATOM 26770 OH2 TIP3 9215 5.620 -2.019 -5.883 1.00 0.00 WT1 O ATOM 26771 H1 TIP3 9215 1.688 -9.299 -12.895 1.00 0.00 WT1 H ATOM 26772 H2 TIP3 9215 7.111 13.072 -8.786 1.00 0.00 WT1 H ATOM 26773 OH2 TIP3 9216 6.599 -1.236 2.794 1.00 0.00 WT1 O ATOM 26774 H1 TIP3 9216 -1.566 -0.872 7.591 1.00 0.00 WT1 H ATOM 26775 H2 TIP3 9216 23.002 24.258 24.707 1.00 0.00 WT1 H ATOM 26776 OH2 TIP3 9217 5.547 -6.493 0.474 1.00 0.00 WT1 O ATOM 26777 H1 TIP3 9217 -19.850 -7.248 -4.799 1.00 0.00 WT1 H ATOM 26778 H2 TIP3 9217 11.657 -5.322 -0.011 1.00 0.00 WT1 H ATOM 26779 OH2 TIP3 9218 0.423 2.204 1.300 1.00 0.00 WT1 O ATOM 26780 H1 TIP3 9218 -0.398 1.074 -0.675 1.00 0.00 WT1 H ATOM 26781 H2 TIP3 9218 -8.291 -4.882 -2.214 1.00 0.00 WT1 H ATOM 26782 OH2 TIP3 9219 -1.437 1.071 -1.537 1.00 0.00 WT1 O ATOM 26783 H1 TIP3 9219 -5.584 5.522 -0.605 1.00 0.00 WT1 H ATOM 26784 H2 TIP3 9219 10.771 11.421 -18.975 1.00 0.00 WT1 H ATOM 26785 OH2 TIP3 9220 -6.934 1.213 -6.115 1.00 0.00 WT1 O ATOM 26786 H1 TIP3 9220 -20.104 5.450 -1.573 1.00 0.00 WT1 H ATOM 26787 H2 TIP3 9220 -13.165 -16.490 -0.806 1.00 0.00 WT1 H ATOM 26788 OH2 TIP3 9222 2.514 0.764 -1.007 1.00 0.00 WT1 O ATOM 26789 H1 TIP3 9222 6.431 25.530 -4.112 1.00 0.00 WT1 H ATOM 26790 H2 TIP3 9222 -2.360 -8.691 -8.057 1.00 0.00 WT1 H ATOM 26791 OH2 TIP3 9223 1.456 -0.726 -3.527 1.00 0.00 WT1 O ATOM 26792 H1 TIP3 9223 7.612 2.649 -5.739 1.00 0.00 WT1 H ATOM 26793 H2 TIP3 9223 -4.716 -4.735 0.683 1.00 0.00 WT1 H ATOM 26794 OH2 TIP3 9224 6.618 -5.395 -9.389 1.00 0.00 WT1 O ATOM 26795 H1 TIP3 9224 8.432 -6.887 -21.214 1.00 0.00 WT1 H ATOM 26796 H2 TIP3 9224 9.501 -7.005 -30.665 1.00 0.00 WT1 H ATOM 26797 OH2 TIP3 9225 -4.722 -4.382 1.570 1.00 0.00 WT1 O ATOM 26798 H1 TIP3 9225 -4.574 2.646 -18.847 1.00 0.00 WT1 H ATOM 26799 H2 TIP3 9225 -1.535 4.329 -2.394 1.00 0.00 WT1 H ATOM 26800 OH2 TIP3 9226 3.889 -1.766 -3.242 1.00 0.00 WT1 O ATOM 26801 H1 TIP3 9226 -15.537 21.722 -7.840 1.00 0.00 WT1 H ATOM 26802 H2 TIP3 9226 6.839 8.180 3.065 1.00 0.00 WT1 H ATOM 26803 OH2 TIP3 9227 6.644 2.014 1.910 1.00 0.00 WT1 O ATOM 26804 H1 TIP3 9227 -10.644 4.634 -5.691 1.00 0.00 WT1 H ATOM 26805 H2 TIP3 9227 0.741 3.111 -1.985 1.00 0.00 WT1 H ATOM 26806 OH2 TIP3 9228 8.511 5.912 -7.370 1.00 0.00 WT1 O ATOM 26807 H1 TIP3 9228 -7.897 7.329 -25.008 1.00 0.00 WT1 H ATOM 26808 H2 TIP3 9228 10.062 9.245 -1.303 1.00 0.00 WT1 H ATOM 26809 OH2 TIP3 9229 -2.026 0.381 -4.506 1.00 0.00 WT1 O ATOM 26810 H1 TIP3 9229 13.916 -0.125 -7.560 1.00 0.00 WT1 H ATOM 26811 H2 TIP3 9229 -12.406 -0.358 -0.508 1.00 0.00 WT1 H ATOM 26812 OH2 TIP3 9230 -9.626 -1.135 1.060 1.00 0.00 WT1 O ATOM 26813 H1 TIP3 9230 -13.180 14.951 -4.383 1.00 0.00 WT1 H ATOM 26814 H2 TIP3 9230 -6.961 -8.003 -10.065 1.00 0.00 WT1 H ATOM 26815 OH2 TIP3 9231 -0.946 0.644 -1.371 1.00 0.00 WT1 O ATOM 26816 H1 TIP3 9231 -16.131 17.738 1.753 1.00 0.00 WT1 H ATOM 26817 H2 TIP3 9231 -6.385 4.938 -2.418 1.00 0.00 WT1 H ATOM 26818 OH2 TIP3 9232 -7.847 -8.106 0.732 1.00 0.00 WT1 O ATOM 26819 H1 TIP3 9232 -11.707 -22.805 9.070 1.00 0.00 WT1 H ATOM 26820 H2 TIP3 9232 -22.563 10.591 -7.254 1.00 0.00 WT1 H ATOM 26821 OH2 TIP3 9233 9.118 3.015 -0.242 1.00 0.00 WT1 O ATOM 26822 H1 TIP3 9233 3.610 0.300 9.462 1.00 0.00 WT1 H ATOM 26823 H2 TIP3 9233 18.454 0.787 -23.007 1.00 0.00 WT1 H ATOM 26824 OH2 TIP3 9234 -3.709 -3.586 -3.949 1.00 0.00 WT1 O ATOM 26825 H1 TIP3 9234 -20.974 -5.517 -7.040 1.00 0.00 WT1 H ATOM 26826 H2 TIP3 9234 8.123 6.966 -20.976 1.00 0.00 WT1 H ATOM 26827 OH2 TIP3 9235 1.147 3.894 -1.821 1.00 0.00 WT1 O ATOM 26828 H1 TIP3 9235 3.212 1.402 -4.137 1.00 0.00 WT1 H ATOM 26829 H2 TIP3 9235 12.331 -8.846 -15.937 1.00 0.00 WT1 H ATOM 26830 OH2 TIP3 9236 0.494 -6.185 -3.616 1.00 0.00 WT1 O ATOM 26831 H1 TIP3 9236 -10.095 -12.854 -19.981 1.00 0.00 WT1 H ATOM 26832 H2 TIP3 9236 23.923 -12.475 -18.735 1.00 0.00 WT1 H ATOM 26833 OH2 TIP3 9237 -1.584 -4.740 -5.964 1.00 0.00 WT1 O ATOM 26834 H1 TIP3 9237 -2.994 -10.574 -2.067 1.00 0.00 WT1 H ATOM 26835 H2 TIP3 9237 -2.336 19.247 22.477 1.00 0.00 WT1 H ATOM 26836 OH2 TIP3 9238 0.761 -5.498 4.038 1.00 0.00 WT1 O ATOM 26837 H1 TIP3 9238 6.797 18.390 5.015 1.00 0.00 WT1 H ATOM 26838 H2 TIP3 9238 1.394 -10.646 5.930 1.00 0.00 WT1 H ATOM 26839 OH2 TIP3 9239 -1.164 3.533 2.779 1.00 0.00 WT1 O ATOM 26840 H1 TIP3 9239 10.010 1.356 14.641 1.00 0.00 WT1 H ATOM 26841 H2 TIP3 9239 -0.357 3.735 3.896 1.00 0.00 WT1 H ATOM 26842 OH2 TIP3 9240 -6.830 2.891 4.531 1.00 0.00 WT1 O ATOM 26843 H1 TIP3 9240 2.518 25.495 4.661 1.00 0.00 WT1 H ATOM 26844 H2 TIP3 9240 4.935 2.133 -10.300 1.00 0.00 WT1 H ATOM 26845 OH2 TIP3 9241 0.953 2.772 8.187 1.00 0.00 WT1 O ATOM 26846 H1 TIP3 9241 2.040 -3.238 -0.530 1.00 0.00 WT1 H ATOM 26847 H2 TIP3 9241 1.522 6.159 10.908 1.00 0.00 WT1 H ATOM 26848 OH2 TIP3 9243 1.344 -0.578 2.499 1.00 0.00 WT1 O ATOM 26849 H1 TIP3 9243 17.309 -2.112 10.455 1.00 0.00 WT1 H ATOM 26850 H2 TIP3 9243 -23.081 -6.625 5.172 1.00 0.00 WT1 H ATOM 26851 OH2 TIP3 9244 0.445 7.109 -2.442 1.00 0.00 WT1 O ATOM 26852 H1 TIP3 9244 7.205 8.410 2.310 1.00 0.00 WT1 H ATOM 26853 H2 TIP3 9244 3.376 8.323 -0.083 1.00 0.00 WT1 H ATOM 26854 OH2 TIP3 9245 -3.163 -2.987 -5.286 1.00 0.00 WT1 O ATOM 26855 H1 TIP3 9245 -13.184 -8.180 -2.243 1.00 0.00 WT1 H ATOM 26856 H2 TIP3 9245 -6.451 -4.255 -3.638 1.00 0.00 WT1 H ATOM 26857 OH2 TIP3 9246 6.716 1.866 0.790 1.00 0.00 WT1 O ATOM 26858 H1 TIP3 9246 -12.512 -6.391 5.009 1.00 0.00 WT1 H ATOM 26859 H2 TIP3 9246 4.776 0.472 14.423 1.00 0.00 WT1 H ATOM 26860 OH2 TIP3 9247 -0.318 0.358 -1.301 1.00 0.00 WT1 O ATOM 26861 H1 TIP3 9247 -4.426 -3.433 13.582 1.00 0.00 WT1 H ATOM 26862 H2 TIP3 9247 -11.391 4.389 0.990 1.00 0.00 WT1 H ATOM 26863 OH2 TIP3 9248 -0.121 2.622 -0.670 1.00 0.00 WT1 O ATOM 26864 H1 TIP3 9248 5.159 4.251 16.663 1.00 0.00 WT1 H ATOM 26865 H2 TIP3 9248 -15.268 -14.329 2.041 1.00 0.00 WT1 H ATOM 26866 OH2 TIP3 9249 6.634 4.312 -0.057 1.00 0.00 WT1 O ATOM 26867 H1 TIP3 9249 2.281 9.888 -21.758 1.00 0.00 WT1 H ATOM 26868 H2 TIP3 9249 22.362 -13.432 6.534 1.00 0.00 WT1 H ATOM 26869 OH2 TIP3 9250 -3.108 -1.762 1.488 1.00 0.00 WT1 O ATOM 26870 H1 TIP3 9250 7.067 -5.296 2.677 1.00 0.00 WT1 H ATOM 26871 H2 TIP3 9250 7.930 8.104 8.496 1.00 0.00 WT1 H ATOM 26872 OH2 TIP3 9251 -1.348 2.068 -0.673 1.00 0.00 WT1 O ATOM 26873 H1 TIP3 9251 20.094 -11.495 -1.041 1.00 0.00 WT1 H ATOM 26874 H2 TIP3 9251 0.080 -8.195 -5.171 1.00 0.00 WT1 H ATOM 26875 OH2 TIP3 9252 2.290 -4.065 2.408 1.00 0.00 WT1 O ATOM 26876 H1 TIP3 9252 5.054 -2.756 -3.168 1.00 0.00 WT1 H ATOM 26877 H2 TIP3 9252 3.019 -15.633 14.619 1.00 0.00 WT1 H ATOM 26878 OH2 TIP3 9253 -7.660 -0.987 7.241 1.00 0.00 WT1 O ATOM 26879 H1 TIP3 9253 -7.928 3.500 11.131 1.00 0.00 WT1 H ATOM 26880 H2 TIP3 9253 -11.560 0.386 14.927 1.00 0.00 WT1 H ATOM 26881 OH2 TIP3 9254 6.135 -6.822 3.782 1.00 0.00 WT1 O ATOM 26882 H1 TIP3 9254 5.881 6.937 -19.429 1.00 0.00 WT1 H ATOM 26883 H2 TIP3 9254 -7.389 -8.667 2.682 1.00 0.00 WT1 H ATOM 26884 OH2 TIP3 9255 -0.310 -2.181 -4.493 1.00 0.00 WT1 O ATOM 26885 H1 TIP3 9255 -2.840 -8.335 8.094 1.00 0.00 WT1 H ATOM 26886 H2 TIP3 9255 2.522 -1.231 -19.062 1.00 0.00 WT1 H ATOM 26887 OH2 TIP3 9256 3.796 1.219 -8.140 1.00 0.00 WT1 O ATOM 26888 H1 TIP3 9256 2.713 2.272 -5.519 1.00 0.00 WT1 H ATOM 26889 H2 TIP3 9256 0.075 6.409 3.469 1.00 0.00 WT1 H ATOM 26890 OH2 TIP3 9257 3.685 7.846 -6.102 1.00 0.00 WT1 O ATOM 26891 H1 TIP3 9257 -11.879 -2.856 -30.332 1.00 0.00 WT1 H ATOM 26892 H2 TIP3 9257 21.936 4.568 10.810 1.00 0.00 WT1 H ATOM 26893 OH2 TIP3 9258 0.542 4.153 1.533 1.00 0.00 WT1 O ATOM 26894 H1 TIP3 9258 -5.488 3.794 3.327 1.00 0.00 WT1 H ATOM 26895 H2 TIP3 9258 3.769 8.342 5.804 1.00 0.00 WT1 H ATOM 26896 OH2 TIP3 9259 -0.804 1.979 4.145 1.00 0.00 WT1 O ATOM 26897 H1 TIP3 9259 -32.468 0.379 0.317 1.00 0.00 WT1 H ATOM 26898 H2 TIP3 9259 44.732 -9.371 -6.142 1.00 0.00 WT1 H ATOM 26899 OH2 TIP3 9260 -8.608 6.970 -3.821 1.00 0.00 WT1 O ATOM 26900 H1 TIP3 9260 -13.172 10.363 3.030 1.00 0.00 WT1 H ATOM 26901 H2 TIP3 9260 7.169 11.314 8.236 1.00 0.00 WT1 H ATOM 26902 OH2 TIP3 9261 3.145 3.413 -0.934 1.00 0.00 WT1 O ATOM 26903 H1 TIP3 9261 21.346 -5.803 7.306 1.00 0.00 WT1 H ATOM 26904 H2 TIP3 9261 -13.887 9.420 -9.435 1.00 0.00 WT1 H ATOM 26905 OH2 TIP3 2 0.333 -1.311 4.761 1.00 0.00 WT2 O ATOM 26906 H1 TIP3 2 6.927 14.857 4.855 1.00 0.00 WT2 H ATOM 26907 H2 TIP3 2 13.011 5.585 -22.837 1.00 0.00 WT2 H ATOM 26908 OH2 TIP3 3 3.269 2.809 -6.456 1.00 0.00 WT2 O ATOM 26909 H1 TIP3 3 0.039 -12.281 13.800 1.00 0.00 WT2 H ATOM 26910 H2 TIP3 3 -17.637 -7.763 -13.255 1.00 0.00 WT2 H ATOM 26911 OH2 TIP3 4 1.023 -0.487 1.064 1.00 0.00 WT2 O ATOM 26912 H1 TIP3 4 -0.144 6.734 0.133 1.00 0.00 WT2 H ATOM 26913 H2 TIP3 4 2.061 -20.444 -2.219 1.00 0.00 WT2 H ATOM 26914 OH2 TIP3 5 -3.232 2.489 1.948 1.00 0.00 WT2 O ATOM 26915 H1 TIP3 5 14.014 2.738 12.386 1.00 0.00 WT2 H ATOM 26916 H2 TIP3 5 -9.396 37.742 9.422 1.00 0.00 WT2 H ATOM 26917 OH2 TIP3 7 7.634 -1.547 2.453 1.00 0.00 WT2 O ATOM 26918 H1 TIP3 7 5.603 4.985 16.282 1.00 0.00 WT2 H ATOM 26919 H2 TIP3 7 1.875 -2.589 1.654 1.00 0.00 WT2 H ATOM 26920 OH2 TIP3 9 -7.042 -0.134 0.591 1.00 0.00 WT2 O ATOM 26921 H1 TIP3 9 -4.067 7.823 -1.586 1.00 0.00 WT2 H ATOM 26922 H2 TIP3 9 -1.080 15.665 -3.713 1.00 0.00 WT2 H ATOM 26923 OH2 TIP3 11 -7.512 0.635 -4.581 1.00 0.00 WT2 O ATOM 26924 H1 TIP3 11 -9.649 -6.516 -11.043 1.00 0.00 WT2 H ATOM 26925 H2 TIP3 11 -4.750 -5.961 -9.645 1.00 0.00 WT2 H ATOM 26926 OH2 TIP3 21 2.549 1.581 -6.127 1.00 0.00 WT2 O ATOM 26927 H1 TIP3 21 2.660 10.028 -1.033 1.00 0.00 WT2 H ATOM 26928 H2 TIP3 21 8.035 3.514 -9.670 1.00 0.00 WT2 H ATOM 26929 OH2 TIP3 22 6.265 -0.990 4.987 1.00 0.00 WT2 O ATOM 26930 H1 TIP3 22 5.605 -1.628 4.307 1.00 0.00 WT2 H ATOM 26931 H2 TIP3 22 19.295 5.381 -15.895 1.00 0.00 WT2 H ATOM 26932 OH2 TIP3 23 3.064 3.537 -0.509 1.00 0.00 WT2 O ATOM 26933 H1 TIP3 23 13.740 -1.778 1.895 1.00 0.00 WT2 H ATOM 26934 H2 TIP3 23 -4.398 9.980 -3.422 1.00 0.00 WT2 H ATOM 26935 OH2 TIP3 24 0.920 -3.384 -2.543 1.00 0.00 WT2 O ATOM 26936 H1 TIP3 24 -5.743 -0.578 4.694 1.00 0.00 WT2 H ATOM 26937 H2 TIP3 24 1.772 -10.690 -9.789 1.00 0.00 WT2 H ATOM 26938 OH2 TIP3 25 1.915 -0.101 -5.123 1.00 0.00 WT2 O ATOM 26939 H1 TIP3 25 3.029 -10.237 22.185 1.00 0.00 WT2 H ATOM 26940 H2 TIP3 25 8.920 14.631 -36.079 1.00 0.00 WT2 H ATOM 26941 OH2 TIP3 27 -3.688 -0.360 -3.520 1.00 0.00 WT2 O ATOM 26942 H1 TIP3 27 -10.792 -1.367 1.846 1.00 0.00 WT2 H ATOM 26943 H2 TIP3 27 -0.245 -0.096 -29.958 1.00 0.00 WT2 H ATOM 26944 OH2 TIP3 28 0.462 -2.328 -2.034 1.00 0.00 WT2 O ATOM 26945 H1 TIP3 28 1.423 -0.533 -4.754 1.00 0.00 WT2 H ATOM 26946 H2 TIP3 28 -0.208 -3.565 -3.816 1.00 0.00 WT2 H ATOM 26947 OH2 TIP3 29 3.326 1.678 1.342 1.00 0.00 WT2 O ATOM 26948 H1 TIP3 29 36.515 -19.525 5.374 1.00 0.00 WT2 H ATOM 26949 H2 TIP3 29 -9.148 -1.785 -41.396 1.00 0.00 WT2 H ATOM 26950 OH2 TIP3 31 -0.501 1.520 -6.107 1.00 0.00 WT2 O ATOM 26951 H1 TIP3 31 2.063 -0.260 15.727 1.00 0.00 WT2 H ATOM 26952 H2 TIP3 31 -2.322 1.178 -12.512 1.00 0.00 WT2 H ATOM 26953 OH2 TIP3 36 0.150 0.735 -3.694 1.00 0.00 WT2 O ATOM 26954 H1 TIP3 36 -3.221 18.616 4.342 1.00 0.00 WT2 H ATOM 26955 H2 TIP3 36 0.671 -9.046 -1.878 1.00 0.00 WT2 H ATOM 26956 OH2 TIP3 40 1.254 -4.251 -1.278 1.00 0.00 WT2 O ATOM 26957 H1 TIP3 40 10.606 -1.192 -3.784 1.00 0.00 WT2 H ATOM 26958 H2 TIP3 40 -15.583 -13.896 -9.878 1.00 0.00 WT2 H ATOM 26959 OH2 TIP3 43 2.060 -5.598 0.257 1.00 0.00 WT2 O ATOM 26960 H1 TIP3 43 10.240 4.913 -7.302 1.00 0.00 WT2 H ATOM 26961 H2 TIP3 43 -6.289 2.830 -1.199 1.00 0.00 WT2 H ATOM 26962 OH2 TIP3 44 -8.535 -0.262 1.007 1.00 0.00 WT2 O ATOM 26963 H1 TIP3 44 22.092 6.205 22.489 1.00 0.00 WT2 H ATOM 26964 H2 TIP3 44 -15.263 -3.567 -4.689 1.00 0.00 WT2 H ATOM 26965 OH2 TIP3 46 -9.530 3.034 -1.689 1.00 0.00 WT2 O ATOM 26966 H1 TIP3 46 10.593 -2.035 -22.137 1.00 0.00 WT2 H ATOM 26967 H2 TIP3 46 1.075 20.034 -21.027 1.00 0.00 WT2 H ATOM 26968 OH2 TIP3 47 0.043 -1.786 -5.528 1.00 0.00 WT2 O ATOM 26969 H1 TIP3 47 12.166 19.428 13.015 1.00 0.00 WT2 H ATOM 26970 H2 TIP3 47 -4.830 -7.144 -8.774 1.00 0.00 WT2 H ATOM 26971 OH2 TIP3 50 5.569 4.231 -4.441 1.00 0.00 WT2 O ATOM 26972 H1 TIP3 50 23.193 -1.668 1.667 1.00 0.00 WT2 H ATOM 26973 H2 TIP3 50 -48.673 -11.880 17.150 1.00 0.00 WT2 H ATOM 26974 OH2 TIP3 64 5.070 -1.203 -1.615 1.00 0.00 WT2 O ATOM 26975 H1 TIP3 64 -0.744 3.900 2.281 1.00 0.00 WT2 H ATOM 26976 H2 TIP3 64 1.383 -4.082 -7.673 1.00 0.00 WT2 H ATOM 26977 OH2 TIP3 65 1.283 2.578 8.207 1.00 0.00 WT2 O ATOM 26978 H1 TIP3 65 10.348 -23.937 -0.783 1.00 0.00 WT2 H ATOM 26979 H2 TIP3 65 -9.466 22.091 -14.107 1.00 0.00 WT2 H ATOM 26980 OH2 TIP3 66 -1.202 -4.082 -8.825 1.00 0.00 WT2 O ATOM 26981 H1 TIP3 66 9.001 -3.006 8.301 1.00 0.00 WT2 H ATOM 26982 H2 TIP3 66 4.613 -1.502 13.219 1.00 0.00 WT2 H ATOM 26983 OH2 TIP3 67 4.905 6.678 -2.144 1.00 0.00 WT2 O ATOM 26984 H1 TIP3 67 9.144 -20.788 6.411 1.00 0.00 WT2 H ATOM 26985 H2 TIP3 67 -11.826 3.813 1.708 1.00 0.00 WT2 H ATOM 26986 OH2 TIP3 68 6.237 -0.545 -7.299 1.00 0.00 WT2 O ATOM 26987 H1 TIP3 68 -6.676 -0.581 -11.322 1.00 0.00 WT2 H ATOM 26988 H2 TIP3 68 7.497 2.676 -6.924 1.00 0.00 WT2 H ATOM 26989 OH2 TIP3 69 -2.761 1.485 0.818 1.00 0.00 WT2 O ATOM 26990 H1 TIP3 69 4.360 4.385 -0.912 1.00 0.00 WT2 H ATOM 26991 H2 TIP3 69 4.764 3.153 -7.768 1.00 0.00 WT2 H ATOM 26992 OH2 TIP3 70 -2.792 -1.643 2.270 1.00 0.00 WT2 O ATOM 26993 H1 TIP3 70 -4.747 -2.321 14.684 1.00 0.00 WT2 H ATOM 26994 H2 TIP3 70 2.611 7.878 -20.628 1.00 0.00 WT2 H ATOM 26995 OH2 TIP3 72 -4.005 3.438 -1.926 1.00 0.00 WT2 O ATOM 26996 H1 TIP3 72 -3.331 6.614 6.215 1.00 0.00 WT2 H ATOM 26997 H2 TIP3 72 -9.864 11.698 -8.340 1.00 0.00 WT2 H ATOM 26998 OH2 TIP3 73 0.609 5.655 2.831 1.00 0.00 WT2 O ATOM 26999 H1 TIP3 73 0.705 3.015 2.235 1.00 0.00 WT2 H ATOM 27000 H2 TIP3 73 -3.197 7.067 2.984 1.00 0.00 WT2 H ATOM 27001 OH2 TIP3 83 -2.948 -0.352 3.256 1.00 0.00 WT2 O ATOM 27002 H1 TIP3 83 15.470 -4.169 19.596 1.00 0.00 WT2 H ATOM 27003 H2 TIP3 83 4.363 16.799 -1.283 1.00 0.00 WT2 H ATOM 27004 OH2 TIP3 85 -0.773 -3.426 -2.415 1.00 0.00 WT2 O ATOM 27005 H1 TIP3 85 -7.991 18.898 -2.575 1.00 0.00 WT2 H ATOM 27006 H2 TIP3 85 -10.598 10.616 -2.353 1.00 0.00 WT2 H ATOM 27007 OH2 TIP3 86 -0.104 -2.835 -2.139 1.00 0.00 WT2 O ATOM 27008 H1 TIP3 86 1.196 -9.543 14.486 1.00 0.00 WT2 H ATOM 27009 H2 TIP3 86 -1.736 7.711 9.135 1.00 0.00 WT2 H ATOM 27010 OH2 TIP3 87 7.016 -3.928 1.871 1.00 0.00 WT2 O ATOM 27011 H1 TIP3 87 -9.802 -18.000 7.628 1.00 0.00 WT2 H ATOM 27012 H2 TIP3 87 21.125 -3.241 -6.677 1.00 0.00 WT2 H ATOM 27013 OH2 TIP3 88 2.978 5.212 4.045 1.00 0.00 WT2 O ATOM 27014 H1 TIP3 88 4.394 1.226 6.807 1.00 0.00 WT2 H ATOM 27015 H2 TIP3 88 0.971 3.663 1.347 1.00 0.00 WT2 H ATOM 27016 OH2 TIP3 90 1.377 -0.501 3.471 1.00 0.00 WT2 O ATOM 27017 H1 TIP3 90 -9.306 0.687 -1.186 1.00 0.00 WT2 H ATOM 27018 H2 TIP3 90 -23.225 -0.356 18.281 1.00 0.00 WT2 H ATOM 27019 OH2 TIP3 91 1.396 -1.026 -4.263 1.00 0.00 WT2 O ATOM 27020 H1 TIP3 91 7.794 12.063 10.678 1.00 0.00 WT2 H ATOM 27021 H2 TIP3 91 -3.236 7.346 -0.985 1.00 0.00 WT2 H ATOM 27022 OH2 TIP3 93 3.094 0.828 6.018 1.00 0.00 WT2 O ATOM 27023 H1 TIP3 93 7.727 -3.593 9.342 1.00 0.00 WT2 H ATOM 27024 H2 TIP3 93 10.346 -5.447 10.988 1.00 0.00 WT2 H ATOM 27025 OH2 TIP3 107 4.759 -0.443 0.265 1.00 0.00 WT2 O ATOM 27026 H1 TIP3 107 -16.988 -9.347 5.042 1.00 0.00 WT2 H ATOM 27027 H2 TIP3 107 6.790 3.942 16.645 1.00 0.00 WT2 H ATOM 27028 OH2 TIP3 108 4.276 -0.197 1.955 1.00 0.00 WT2 O ATOM 27029 H1 TIP3 108 27.598 -6.074 -15.072 1.00 0.00 WT2 H ATOM 27030 H2 TIP3 108 -7.214 -16.078 -8.773 1.00 0.00 WT2 H ATOM 27031 OH2 TIP3 109 2.329 -4.059 0.327 1.00 0.00 WT2 O ATOM 27032 H1 TIP3 109 -9.556 -6.220 -8.668 1.00 0.00 WT2 H ATOM 27033 H2 TIP3 109 -4.321 5.659 -5.951 1.00 0.00 WT2 H ATOM 27034 OH2 TIP3 110 -1.137 5.235 3.233 1.00 0.00 WT2 O ATOM 27035 H1 TIP3 110 9.102 20.319 10.523 1.00 0.00 WT2 H ATOM 27036 H2 TIP3 110 -16.537 -22.831 0.776 1.00 0.00 WT2 H ATOM 27037 OH2 TIP3 111 0.707 -4.502 0.167 1.00 0.00 WT2 O ATOM 27038 H1 TIP3 111 2.822 -21.133 -7.325 1.00 0.00 WT2 H ATOM 27039 H2 TIP3 111 5.271 4.935 2.724 1.00 0.00 WT2 H ATOM 27040 OH2 TIP3 112 1.972 0.234 -0.338 1.00 0.00 WT2 O ATOM 27041 H1 TIP3 112 5.294 -16.475 0.335 1.00 0.00 WT2 H ATOM 27042 H2 TIP3 112 4.966 -6.468 4.588 1.00 0.00 WT2 H ATOM 27043 OH2 TIP3 113 -1.120 -8.507 -0.416 1.00 0.00 WT2 O ATOM 27044 H1 TIP3 113 -6.217 -13.566 -0.728 1.00 0.00 WT2 H ATOM 27045 H2 TIP3 113 15.015 9.131 -21.342 1.00 0.00 WT2 H ATOM 27046 OH2 TIP3 114 -8.162 -3.596 0.927 1.00 0.00 WT2 O ATOM 27047 H1 TIP3 114 -0.228 28.557 -11.353 1.00 0.00 WT2 H ATOM 27048 H2 TIP3 114 -11.198 -2.086 31.976 1.00 0.00 WT2 H ATOM 27049 OH2 TIP3 125 -5.372 -0.877 5.220 1.00 0.00 WT2 O ATOM 27050 H1 TIP3 125 -10.047 -0.326 0.130 1.00 0.00 WT2 H ATOM 27051 H2 TIP3 125 10.144 7.987 13.849 1.00 0.00 WT2 H ATOM 27052 OH2 TIP3 129 -5.262 -0.345 6.944 1.00 0.00 WT2 O ATOM 27053 H1 TIP3 129 -12.005 -6.222 -4.116 1.00 0.00 WT2 H ATOM 27054 H2 TIP3 129 17.587 6.471 4.311 1.00 0.00 WT2 H ATOM 27055 OH2 TIP3 130 2.375 4.967 -3.846 1.00 0.00 WT2 O ATOM 27056 H1 TIP3 130 -6.177 15.230 10.753 1.00 0.00 WT2 H ATOM 27057 H2 TIP3 130 3.896 25.848 -5.404 1.00 0.00 WT2 H ATOM 27058 OH2 TIP3 132 -2.232 -1.572 2.690 1.00 0.00 WT2 O ATOM 27059 H1 TIP3 132 5.775 -14.358 -18.164 1.00 0.00 WT2 H ATOM 27060 H2 TIP3 132 -3.877 -6.264 13.056 1.00 0.00 WT2 H ATOM 27061 OH2 TIP3 133 2.548 -4.582 3.904 1.00 0.00 WT2 O ATOM 27062 H1 TIP3 133 14.385 -4.741 -27.085 1.00 0.00 WT2 H ATOM 27063 H2 TIP3 133 1.045 -7.181 20.856 1.00 0.00 WT2 H ATOM 27064 OH2 TIP3 144 -4.395 2.948 -2.526 1.00 0.00 WT2 O ATOM 27065 H1 TIP3 144 -0.317 6.476 2.002 1.00 0.00 WT2 H ATOM 27066 H2 TIP3 144 5.940 -2.800 -7.643 1.00 0.00 WT2 H ATOM 27067 OH2 TIP3 145 -7.529 -0.900 -1.711 1.00 0.00 WT2 O ATOM 27068 H1 TIP3 145 -10.335 -2.861 8.438 1.00 0.00 WT2 H ATOM 27069 H2 TIP3 145 -4.057 10.902 4.582 1.00 0.00 WT2 H ATOM 27070 OH2 TIP3 146 -2.167 2.970 -1.959 1.00 0.00 WT2 O ATOM 27071 H1 TIP3 146 -13.357 -11.373 -0.641 1.00 0.00 WT2 H ATOM 27072 H2 TIP3 146 -19.103 5.441 7.542 1.00 0.00 WT2 H ATOM 27073 OH2 TIP3 149 1.864 0.031 -0.536 1.00 0.00 WT2 O ATOM 27074 H1 TIP3 149 3.577 0.647 -1.531 1.00 0.00 WT2 H ATOM 27075 H2 TIP3 149 -12.212 16.327 18.832 1.00 0.00 WT2 H ATOM 27076 OH2 TIP3 150 3.254 0.880 -0.922 1.00 0.00 WT2 O ATOM 27077 H1 TIP3 150 16.070 22.496 4.959 1.00 0.00 WT2 H ATOM 27078 H2 TIP3 150 6.974 5.522 -1.457 1.00 0.00 WT2 H ATOM 27079 OH2 TIP3 151 5.282 1.995 -1.285 1.00 0.00 WT2 O ATOM 27080 H1 TIP3 151 -2.536 25.509 -18.592 1.00 0.00 WT2 H ATOM 27081 H2 TIP3 151 -21.468 25.730 1.489 1.00 0.00 WT2 H ATOM 27082 OH2 TIP3 152 2.311 0.933 -3.448 1.00 0.00 WT2 O ATOM 27083 H1 TIP3 152 7.350 7.492 -2.159 1.00 0.00 WT2 H ATOM 27084 H2 TIP3 152 0.116 2.546 -22.255 1.00 0.00 WT2 H ATOM 27085 OH2 TIP3 154 1.254 -8.515 -3.341 1.00 0.00 WT2 O ATOM 27086 H1 TIP3 154 -6.427 -8.243 -1.803 1.00 0.00 WT2 H ATOM 27087 H2 TIP3 154 2.967 2.401 -3.646 1.00 0.00 WT2 H ATOM 27088 OH2 TIP3 167 10.766 -6.304 -5.282 1.00 0.00 WT2 O ATOM 27089 H1 TIP3 167 10.874 -17.329 -1.044 1.00 0.00 WT2 H ATOM 27090 H2 TIP3 167 -4.635 -2.185 -5.477 1.00 0.00 WT2 H ATOM 27091 OH2 TIP3 170 -4.476 2.318 -5.462 1.00 0.00 WT2 O ATOM 27092 H1 TIP3 170 -18.814 -15.696 18.273 1.00 0.00 WT2 H ATOM 27093 H2 TIP3 170 26.385 4.685 4.035 1.00 0.00 WT2 H ATOM 27094 OH2 TIP3 171 1.200 2.614 -1.709 1.00 0.00 WT2 O ATOM 27095 H1 TIP3 171 7.509 -7.468 5.193 1.00 0.00 WT2 H ATOM 27096 H2 TIP3 171 -7.998 14.779 -11.598 1.00 0.00 WT2 H ATOM 27097 OH2 TIP3 173 -1.008 -4.391 -0.523 1.00 0.00 WT2 O ATOM 27098 H1 TIP3 173 -7.156 -0.008 -7.591 1.00 0.00 WT2 H ATOM 27099 H2 TIP3 173 -9.705 0.320 -10.371 1.00 0.00 WT2 H ATOM 27100 OH2 TIP3 174 2.811 6.400 9.653 1.00 0.00 WT2 O ATOM 27101 H1 TIP3 174 17.948 -5.741 11.415 1.00 0.00 WT2 H ATOM 27102 H2 TIP3 174 2.501 5.188 -2.040 1.00 0.00 WT2 H ATOM 27103 OH2 TIP3 178 4.172 2.812 1.826 1.00 0.00 WT2 O ATOM 27104 H1 TIP3 178 11.331 19.896 6.709 1.00 0.00 WT2 H ATOM 27105 H2 TIP3 178 16.159 11.710 -6.773 1.00 0.00 WT2 H ATOM 27106 OH2 TIP3 189 -2.273 -2.542 4.433 1.00 0.00 WT2 O ATOM 27107 H1 TIP3 189 -18.199 -7.164 8.908 1.00 0.00 WT2 H ATOM 27108 H2 TIP3 189 -3.766 8.560 -7.855 1.00 0.00 WT2 H ATOM 27109 OH2 TIP3 190 4.753 2.544 4.368 1.00 0.00 WT2 O ATOM 27110 H1 TIP3 190 -0.325 -13.158 13.737 1.00 0.00 WT2 H ATOM 27111 H2 TIP3 190 -16.188 -30.328 -15.368 1.00 0.00 WT2 H ATOM 27112 OH2 TIP3 191 -5.188 -1.048 4.887 1.00 0.00 WT2 O ATOM 27113 H1 TIP3 191 -27.497 -13.450 27.340 1.00 0.00 WT2 H ATOM 27114 H2 TIP3 191 18.248 15.617 0.660 1.00 0.00 WT2 H ATOM 27115 OH2 TIP3 192 -1.273 -3.747 0.489 1.00 0.00 WT2 O ATOM 27116 H1 TIP3 192 9.510 -8.175 9.866 1.00 0.00 WT2 H ATOM 27117 H2 TIP3 192 17.398 1.350 7.019 1.00 0.00 WT2 H ATOM 27118 OH2 TIP3 193 -0.170 3.265 9.005 1.00 0.00 WT2 O ATOM 27119 H1 TIP3 193 -16.025 -4.999 1.107 1.00 0.00 WT2 H ATOM 27120 H2 TIP3 193 -10.609 2.579 8.326 1.00 0.00 WT2 H ATOM 27121 OH2 TIP3 195 5.935 -5.662 -1.468 1.00 0.00 WT2 O ATOM 27122 H1 TIP3 195 -19.394 -4.832 -10.989 1.00 0.00 WT2 H ATOM 27123 H2 TIP3 195 21.621 -1.468 -2.787 1.00 0.00 WT2 H ATOM 27124 OH2 TIP3 196 -1.278 0.090 -5.487 1.00 0.00 WT2 O ATOM 27125 H1 TIP3 196 -0.507 -1.845 -5.824 1.00 0.00 WT2 H ATOM 27126 H2 TIP3 196 5.277 3.060 3.655 1.00 0.00 WT2 H ATOM 27127 OH2 TIP3 199 -6.327 -1.515 3.007 1.00 0.00 WT2 O ATOM 27128 H1 TIP3 199 -3.245 -0.752 4.258 1.00 0.00 WT2 H ATOM 27129 H2 TIP3 199 -3.818 13.173 22.950 1.00 0.00 WT2 H ATOM 27130 OH2 TIP3 212 -2.278 0.506 -2.109 1.00 0.00 WT2 O ATOM 27131 H1 TIP3 212 4.364 16.964 -23.107 1.00 0.00 WT2 H ATOM 27132 H2 TIP3 212 17.617 12.195 0.322 1.00 0.00 WT2 H ATOM 27133 OH2 TIP3 214 5.475 3.624 5.187 1.00 0.00 WT2 O ATOM 27134 H1 TIP3 214 -1.869 -0.839 11.631 1.00 0.00 WT2 H ATOM 27135 H2 TIP3 214 -8.528 -0.824 -6.640 1.00 0.00 WT2 H ATOM 27136 OH2 TIP3 217 -3.094 -9.064 6.482 1.00 0.00 WT2 O ATOM 27137 H1 TIP3 217 3.487 6.365 4.002 1.00 0.00 WT2 H ATOM 27138 H2 TIP3 217 4.150 -8.992 6.515 1.00 0.00 WT2 H ATOM 27139 OH2 TIP3 233 5.070 1.398 0.010 1.00 0.00 WT2 O ATOM 27140 H1 TIP3 233 0.443 -8.602 6.347 1.00 0.00 WT2 H ATOM 27141 H2 TIP3 233 12.381 12.919 0.297 1.00 0.00 WT2 H ATOM 27142 OH2 TIP3 235 1.902 -7.017 0.625 1.00 0.00 WT2 O ATOM 27143 H1 TIP3 235 -20.132 2.038 12.071 1.00 0.00 WT2 H ATOM 27144 H2 TIP3 235 19.818 12.413 -3.849 1.00 0.00 WT2 H ATOM 27145 OH2 TIP3 236 3.933 -2.111 1.237 1.00 0.00 WT2 O ATOM 27146 H1 TIP3 236 1.650 -8.150 7.626 1.00 0.00 WT2 H ATOM 27147 H2 TIP3 236 1.268 -15.184 12.624 1.00 0.00 WT2 H ATOM 27148 OH2 TIP3 237 -6.933 3.373 -5.692 1.00 0.00 WT2 O ATOM 27149 H1 TIP3 237 -10.958 -5.773 -5.796 1.00 0.00 WT2 H ATOM 27150 H2 TIP3 237 -4.447 -0.487 3.061 1.00 0.00 WT2 H ATOM 27151 OH2 TIP3 239 -4.660 3.461 0.437 1.00 0.00 WT2 O ATOM 27152 H1 TIP3 239 5.474 -15.453 -8.785 1.00 0.00 WT2 H ATOM 27153 H2 TIP3 239 -1.461 20.029 8.256 1.00 0.00 WT2 H ATOM 27154 OH2 TIP3 244 -5.544 -8.330 5.089 1.00 0.00 WT2 O ATOM 27155 H1 TIP3 244 32.141 3.513 0.743 1.00 0.00 WT2 H ATOM 27156 H2 TIP3 244 7.967 3.759 6.859 1.00 0.00 WT2 H ATOM 27157 OH2 TIP3 252 3.692 4.405 1.748 1.00 0.00 WT2 O ATOM 27158 H1 TIP3 252 3.528 -11.360 1.654 1.00 0.00 WT2 H ATOM 27159 H2 TIP3 252 -2.927 9.480 2.397 1.00 0.00 WT2 H ATOM 27160 OH2 TIP3 253 10.599 0.219 2.270 1.00 0.00 WT2 O ATOM 27161 H1 TIP3 253 29.151 15.001 -26.180 1.00 0.00 WT2 H ATOM 27162 H2 TIP3 253 -19.366 -13.883 -4.329 1.00 0.00 WT2 H ATOM 27163 OH2 TIP3 255 3.147 -0.324 4.883 1.00 0.00 WT2 O ATOM 27164 H1 TIP3 255 9.358 -11.149 -6.236 1.00 0.00 WT2 H ATOM 27165 H2 TIP3 255 4.170 0.073 21.046 1.00 0.00 WT2 H ATOM 27166 OH2 TIP3 256 -3.130 4.372 -4.898 1.00 0.00 WT2 O ATOM 27167 H1 TIP3 256 -5.223 5.443 -5.287 1.00 0.00 WT2 H ATOM 27168 H2 TIP3 256 -7.468 0.350 11.667 1.00 0.00 WT2 H ATOM 27169 OH2 TIP3 257 -5.470 -5.461 0.121 1.00 0.00 WT2 O ATOM 27170 H1 TIP3 257 2.549 -0.910 2.872 1.00 0.00 WT2 H ATOM 27171 H2 TIP3 257 -5.687 8.090 -9.280 1.00 0.00 WT2 H ATOM 27172 OH2 TIP3 258 -3.938 4.776 6.827 1.00 0.00 WT2 O ATOM 27173 H1 TIP3 258 -2.627 7.866 6.867 1.00 0.00 WT2 H ATOM 27174 H2 TIP3 258 0.234 -0.246 7.622 1.00 0.00 WT2 H ATOM 27175 OH2 TIP3 260 2.650 1.090 -2.180 1.00 0.00 WT2 O ATOM 27176 H1 TIP3 260 9.615 -13.098 -20.065 1.00 0.00 WT2 H ATOM 27177 H2 TIP3 260 8.113 1.473 -12.132 1.00 0.00 WT2 H ATOM 27178 OH2 TIP3 262 1.458 2.671 1.948 1.00 0.00 WT2 O ATOM 27179 H1 TIP3 262 14.940 3.410 -16.714 1.00 0.00 WT2 H ATOM 27180 H2 TIP3 262 -12.626 -3.043 16.680 1.00 0.00 WT2 H ATOM 27181 OH2 TIP3 273 -2.203 0.391 0.914 1.00 0.00 WT2 O ATOM 27182 H1 TIP3 273 -1.678 -12.526 -3.707 1.00 0.00 WT2 H ATOM 27183 H2 TIP3 273 -12.774 0.112 7.292 1.00 0.00 WT2 H ATOM 27184 OH2 TIP3 278 -1.523 2.171 8.366 1.00 0.00 WT2 O ATOM 27185 H1 TIP3 278 -10.619 5.456 8.069 1.00 0.00 WT2 H ATOM 27186 H2 TIP3 278 4.106 -8.664 2.792 1.00 0.00 WT2 H ATOM 27187 OH2 TIP3 279 -3.157 4.004 4.077 1.00 0.00 WT2 O ATOM 27188 H1 TIP3 279 -14.722 -4.749 1.602 1.00 0.00 WT2 H ATOM 27189 H2 TIP3 279 -10.642 23.715 6.079 1.00 0.00 WT2 H ATOM 27190 OH2 TIP3 280 -2.800 -4.889 -8.656 1.00 0.00 WT2 O ATOM 27191 H1 TIP3 280 -9.764 -3.111 -4.043 1.00 0.00 WT2 H ATOM 27192 H2 TIP3 280 0.265 21.368 -1.261 1.00 0.00 WT2 H ATOM 27193 OH2 TIP3 295 3.802 -1.997 -1.481 1.00 0.00 WT2 O ATOM 27194 H1 TIP3 295 -5.821 -2.361 -2.699 1.00 0.00 WT2 H ATOM 27195 H2 TIP3 295 -29.997 -2.052 -3.418 1.00 0.00 WT2 H ATOM 27196 OH2 TIP3 296 3.480 -4.293 -1.169 1.00 0.00 WT2 O ATOM 27197 H1 TIP3 296 13.404 10.395 -3.687 1.00 0.00 WT2 H ATOM 27198 H2 TIP3 296 8.147 0.981 -3.690 1.00 0.00 WT2 H ATOM 27199 OH2 TIP3 297 -3.484 -1.762 -4.265 1.00 0.00 WT2 O ATOM 27200 H1 TIP3 297 4.706 0.391 12.125 1.00 0.00 WT2 H ATOM 27201 H2 TIP3 297 11.103 -5.670 -14.494 1.00 0.00 WT2 H ATOM 27202 OH2 TIP3 299 3.932 -1.907 0.227 1.00 0.00 WT2 O ATOM 27203 H1 TIP3 299 5.049 1.236 2.585 1.00 0.00 WT2 H ATOM 27204 H2 TIP3 299 18.556 -27.255 1.225 1.00 0.00 WT2 H ATOM 27205 OH2 TIP3 300 -2.553 -0.705 7.163 1.00 0.00 WT2 O ATOM 27206 H1 TIP3 300 -9.284 3.678 10.889 1.00 0.00 WT2 H ATOM 27207 H2 TIP3 300 3.155 -4.815 11.042 1.00 0.00 WT2 H ATOM 27208 OH2 TIP3 301 3.821 4.079 -5.361 1.00 0.00 WT2 O ATOM 27209 H1 TIP3 301 -9.324 -29.507 -0.859 1.00 0.00 WT2 H ATOM 27210 H2 TIP3 301 14.288 25.099 -10.415 1.00 0.00 WT2 H ATOM 27211 OH2 TIP3 302 -2.713 4.434 -1.987 1.00 0.00 WT2 O ATOM 27212 H1 TIP3 302 -7.878 3.662 -1.672 1.00 0.00 WT2 H ATOM 27213 H2 TIP3 302 -17.865 14.309 8.056 1.00 0.00 WT2 H ATOM 27214 OH2 TIP3 303 5.737 10.801 2.634 1.00 0.00 WT2 O ATOM 27215 H1 TIP3 303 24.808 11.450 10.742 1.00 0.00 WT2 H ATOM 27216 H2 TIP3 303 -6.901 25.059 -12.510 1.00 0.00 WT2 H ATOM 27217 OH2 TIP3 315 1.010 1.226 2.947 1.00 0.00 WT2 O ATOM 27218 H1 TIP3 315 5.068 5.543 12.525 1.00 0.00 WT2 H ATOM 27219 H2 TIP3 315 -15.376 -9.161 10.488 1.00 0.00 WT2 H ATOM 27220 OH2 TIP3 316 -0.237 -2.283 0.126 1.00 0.00 WT2 O ATOM 27221 H1 TIP3 316 -12.907 -7.978 -2.044 1.00 0.00 WT2 H ATOM 27222 H2 TIP3 316 -8.085 -19.243 -0.205 1.00 0.00 WT2 H ATOM 27223 OH2 TIP3 317 4.626 -6.055 7.429 1.00 0.00 WT2 O ATOM 27224 H1 TIP3 317 6.919 3.294 -7.668 1.00 0.00 WT2 H ATOM 27225 H2 TIP3 317 17.858 10.713 0.953 1.00 0.00 WT2 H ATOM 27226 OH2 TIP3 319 4.864 0.218 -0.036 1.00 0.00 WT2 O ATOM 27227 H1 TIP3 319 17.994 -18.324 5.902 1.00 0.00 WT2 H ATOM 27228 H2 TIP3 319 14.489 18.889 27.149 1.00 0.00 WT2 H ATOM 27229 OH2 TIP3 320 -1.492 5.259 -8.479 1.00 0.00 WT2 O ATOM 27230 H1 TIP3 320 -7.238 3.351 -3.872 1.00 0.00 WT2 H ATOM 27231 H2 TIP3 320 13.141 13.532 -6.985 1.00 0.00 WT2 H ATOM 27232 OH2 TIP3 321 1.500 -1.199 1.063 1.00 0.00 WT2 O ATOM 27233 H1 TIP3 321 -13.907 -8.389 8.715 1.00 0.00 WT2 H ATOM 27234 H2 TIP3 321 16.700 7.944 10.607 1.00 0.00 WT2 H ATOM 27235 OH2 TIP3 322 3.270 -3.070 -1.263 1.00 0.00 WT2 O ATOM 27236 H1 TIP3 322 -4.397 -1.180 -21.650 1.00 0.00 WT2 H ATOM 27237 H2 TIP3 322 10.820 17.075 -2.480 1.00 0.00 WT2 H ATOM 27238 OH2 TIP3 334 -1.466 3.851 0.220 1.00 0.00 WT2 O ATOM 27239 H1 TIP3 334 -17.058 15.601 8.161 1.00 0.00 WT2 H ATOM 27240 H2 TIP3 334 -22.311 8.653 14.767 1.00 0.00 WT2 H ATOM 27241 OH2 TIP3 335 1.550 6.558 -3.776 1.00 0.00 WT2 O ATOM 27242 H1 TIP3 335 -8.884 6.529 13.466 1.00 0.00 WT2 H ATOM 27243 H2 TIP3 335 -3.393 6.286 -8.841 1.00 0.00 WT2 H ATOM 27244 OH2 TIP3 337 -2.421 -0.017 0.116 1.00 0.00 WT2 O ATOM 27245 H1 TIP3 337 15.870 -5.199 -9.384 1.00 0.00 WT2 H ATOM 27246 H2 TIP3 337 -0.759 1.125 17.698 1.00 0.00 WT2 H ATOM 27247 OH2 TIP3 338 -0.240 -1.438 -1.890 1.00 0.00 WT2 O ATOM 27248 H1 TIP3 338 -3.691 -4.815 -9.192 1.00 0.00 WT2 H ATOM 27249 H2 TIP3 338 -6.065 -6.301 4.047 1.00 0.00 WT2 H ATOM 27250 OH2 TIP3 339 3.641 0.288 -2.070 1.00 0.00 WT2 O ATOM 27251 H1 TIP3 339 13.678 -7.013 -17.234 1.00 0.00 WT2 H ATOM 27252 H2 TIP3 339 -3.130 2.363 10.972 1.00 0.00 WT2 H ATOM 27253 OH2 TIP3 340 4.000 -1.177 3.191 1.00 0.00 WT2 O ATOM 27254 H1 TIP3 340 6.841 -1.977 2.563 1.00 0.00 WT2 H ATOM 27255 H2 TIP3 340 7.038 -2.850 0.676 1.00 0.00 WT2 H ATOM 27256 OH2 TIP3 341 9.082 3.082 -1.209 1.00 0.00 WT2 O ATOM 27257 H1 TIP3 341 -1.508 1.829 0.337 1.00 0.00 WT2 H ATOM 27258 H2 TIP3 341 9.741 5.255 -11.292 1.00 0.00 WT2 H ATOM 27259 OH2 TIP3 344 8.952 -2.573 1.006 1.00 0.00 WT2 O ATOM 27260 H1 TIP3 344 28.209 -8.207 -16.248 1.00 0.00 WT2 H ATOM 27261 H2 TIP3 344 27.433 -20.822 -10.854 1.00 0.00 WT2 H ATOM 27262 OH2 TIP3 346 1.020 -2.540 -0.491 1.00 0.00 WT2 O ATOM 27263 H1 TIP3 346 -6.400 -8.608 -12.387 1.00 0.00 WT2 H ATOM 27264 H2 TIP3 346 -5.457 -13.660 -0.103 1.00 0.00 WT2 H ATOM 27265 OH2 TIP3 361 -2.324 2.381 4.610 1.00 0.00 WT2 O ATOM 27266 H1 TIP3 361 1.303 -0.817 7.702 1.00 0.00 WT2 H ATOM 27267 H2 TIP3 361 -1.075 -2.526 2.480 1.00 0.00 WT2 H ATOM 27268 OH2 TIP3 362 -7.155 -0.653 2.083 1.00 0.00 WT2 O ATOM 27269 H1 TIP3 362 -2.037 -3.365 -0.834 1.00 0.00 WT2 H ATOM 27270 H2 TIP3 362 -13.601 8.131 0.412 1.00 0.00 WT2 H ATOM 27271 OH2 TIP3 364 -10.041 0.833 1.330 1.00 0.00 WT2 O ATOM 27272 H1 TIP3 364 2.435 -5.072 -35.559 1.00 0.00 WT2 H ATOM 27273 H2 TIP3 364 -10.086 2.871 14.644 1.00 0.00 WT2 H ATOM 27274 OH2 TIP3 375 3.529 4.797 1.163 1.00 0.00 WT2 O ATOM 27275 H1 TIP3 375 13.850 14.773 5.880 1.00 0.00 WT2 H ATOM 27276 H2 TIP3 375 -5.378 3.512 19.177 1.00 0.00 WT2 H ATOM 27277 OH2 TIP3 378 -2.885 -1.922 0.095 1.00 0.00 WT2 O ATOM 27278 H1 TIP3 378 15.213 -14.320 3.008 1.00 0.00 WT2 H ATOM 27279 H2 TIP3 378 -4.152 -2.576 4.352 1.00 0.00 WT2 H ATOM 27280 OH2 TIP3 381 -4.194 -1.434 -6.691 1.00 0.00 WT2 O ATOM 27281 H1 TIP3 381 -1.874 -14.155 2.776 1.00 0.00 WT2 H ATOM 27282 H2 TIP3 381 -10.390 11.338 -1.054 1.00 0.00 WT2 H ATOM 27283 OH2 TIP3 383 0.412 -7.534 -4.756 1.00 0.00 WT2 O ATOM 27284 H1 TIP3 383 -20.350 26.245 12.210 1.00 0.00 WT2 H ATOM 27285 H2 TIP3 383 19.988 -19.205 -5.755 1.00 0.00 WT2 H ATOM 27286 OH2 TIP3 384 5.096 0.546 -3.258 1.00 0.00 WT2 O ATOM 27287 H1 TIP3 384 14.426 0.807 -0.346 1.00 0.00 WT2 H ATOM 27288 H2 TIP3 384 15.113 -1.971 -5.210 1.00 0.00 WT2 H ATOM 27289 OH2 TIP3 385 4.091 -1.409 -1.149 1.00 0.00 WT2 O ATOM 27290 H1 TIP3 385 5.290 24.217 1.982 1.00 0.00 WT2 H ATOM 27291 H2 TIP3 385 4.965 12.814 0.323 1.00 0.00 WT2 H ATOM 27292 OH2 TIP3 387 0.364 -0.428 2.718 1.00 0.00 WT2 O ATOM 27293 H1 TIP3 387 7.536 2.056 34.257 1.00 0.00 WT2 H ATOM 27294 H2 TIP3 387 12.053 1.162 0.398 1.00 0.00 WT2 H ATOM 27295 OH2 TIP3 392 1.897 0.885 0.403 1.00 0.00 WT2 O ATOM 27296 H1 TIP3 392 -11.701 8.577 0.234 1.00 0.00 WT2 H ATOM 27297 H2 TIP3 392 -28.474 3.843 2.494 1.00 0.00 WT2 H ATOM 27298 OH2 TIP3 398 2.659 -3.918 3.901 1.00 0.00 WT2 O ATOM 27299 H1 TIP3 398 -23.785 6.917 0.573 1.00 0.00 WT2 H ATOM 27300 H2 TIP3 398 -8.724 -7.475 3.834 1.00 0.00 WT2 H ATOM 27301 OH2 TIP3 401 3.370 -0.641 -0.850 1.00 0.00 WT2 O ATOM 27302 H1 TIP3 401 -2.168 3.067 -1.055 1.00 0.00 WT2 H ATOM 27303 H2 TIP3 401 -5.091 1.614 9.696 1.00 0.00 WT2 H ATOM 27304 OH2 TIP3 403 -6.641 3.272 -3.394 1.00 0.00 WT2 O ATOM 27305 H1 TIP3 403 9.462 17.833 7.557 1.00 0.00 WT2 H ATOM 27306 H2 TIP3 403 13.826 -15.214 19.428 1.00 0.00 WT2 H ATOM 27307 OH2 TIP3 404 2.190 3.503 -3.976 1.00 0.00 WT2 O ATOM 27308 H1 TIP3 404 -10.441 -12.773 -8.706 1.00 0.00 WT2 H ATOM 27309 H2 TIP3 404 8.242 33.011 -4.759 1.00 0.00 WT2 H ATOM 27310 OH2 TIP3 406 4.148 1.046 -1.154 1.00 0.00 WT2 O ATOM 27311 H1 TIP3 406 -17.677 3.769 11.088 1.00 0.00 WT2 H ATOM 27312 H2 TIP3 406 -15.246 5.610 18.264 1.00 0.00 WT2 H ATOM 27313 OH2 TIP3 407 0.346 3.052 -2.230 1.00 0.00 WT2 O ATOM 27314 H1 TIP3 407 1.791 11.950 -3.206 1.00 0.00 WT2 H ATOM 27315 H2 TIP3 407 -5.395 13.066 -4.307 1.00 0.00 WT2 H ATOM 27316 OH2 TIP3 416 -0.617 3.347 1.576 1.00 0.00 WT2 O ATOM 27317 H1 TIP3 416 1.725 2.416 -2.258 1.00 0.00 WT2 H ATOM 27318 H2 TIP3 416 4.986 -8.192 7.793 1.00 0.00 WT2 H ATOM 27319 OH2 TIP3 420 5.370 0.047 6.589 1.00 0.00 WT2 O ATOM 27320 H1 TIP3 420 -4.089 -4.604 -2.287 1.00 0.00 WT2 H ATOM 27321 H2 TIP3 420 0.066 -2.155 3.898 1.00 0.00 WT2 H ATOM 27322 OH2 TIP3 424 -0.352 3.661 -6.850 1.00 0.00 WT2 O ATOM 27323 H1 TIP3 424 8.120 11.376 -4.583 1.00 0.00 WT2 H ATOM 27324 H2 TIP3 424 -7.473 10.436 -11.075 1.00 0.00 WT2 H ATOM 27325 OH2 TIP3 425 -7.390 2.708 -9.054 1.00 0.00 WT2 O ATOM 27326 H1 TIP3 425 -4.097 -3.242 -20.990 1.00 0.00 WT2 H ATOM 27327 H2 TIP3 425 2.197 -10.988 -34.839 1.00 0.00 WT2 H ATOM 27328 OH2 TIP3 426 0.831 2.722 12.418 1.00 0.00 WT2 O ATOM 27329 H1 TIP3 426 15.026 -8.797 -7.975 1.00 0.00 WT2 H ATOM 27330 H2 TIP3 426 10.585 -26.720 -9.093 1.00 0.00 WT2 H ATOM 27331 OH2 TIP3 427 -2.681 4.382 1.098 1.00 0.00 WT2 O ATOM 27332 H1 TIP3 427 -10.537 8.465 -10.549 1.00 0.00 WT2 H ATOM 27333 H2 TIP3 427 1.441 -1.103 6.927 1.00 0.00 WT2 H ATOM 27334 OH2 TIP3 430 1.273 0.825 0.169 1.00 0.00 WT2 O ATOM 27335 H1 TIP3 430 19.240 -6.023 1.067 1.00 0.00 WT2 H ATOM 27336 H2 TIP3 430 -4.719 6.429 4.032 1.00 0.00 WT2 H ATOM 27337 OH2 TIP3 439 1.576 -1.283 -4.747 1.00 0.00 WT2 O ATOM 27338 H1 TIP3 439 -14.981 -16.509 0.274 1.00 0.00 WT2 H ATOM 27339 H2 TIP3 439 -13.030 -21.451 -9.763 1.00 0.00 WT2 H ATOM 27340 OH2 TIP3 443 1.231 -4.126 5.744 1.00 0.00 WT2 O ATOM 27341 H1 TIP3 443 6.588 16.952 3.764 1.00 0.00 WT2 H ATOM 27342 H2 TIP3 443 19.634 22.643 3.699 1.00 0.00 WT2 H ATOM 27343 OH2 TIP3 444 0.550 -3.012 4.019 1.00 0.00 WT2 O ATOM 27344 H1 TIP3 444 1.617 -2.138 -26.580 1.00 0.00 WT2 H ATOM 27345 H2 TIP3 444 0.629 -3.567 3.814 1.00 0.00 WT2 H ATOM 27346 OH2 TIP3 445 -0.807 -4.548 9.627 1.00 0.00 WT2 O ATOM 27347 H1 TIP3 445 0.990 -2.802 10.432 1.00 0.00 WT2 H ATOM 27348 H2 TIP3 445 -1.395 3.123 9.721 1.00 0.00 WT2 H ATOM 27349 OH2 TIP3 446 -1.521 0.467 -5.162 1.00 0.00 WT2 O ATOM 27350 H1 TIP3 446 23.377 -19.524 -13.148 1.00 0.00 WT2 H ATOM 27351 H2 TIP3 446 8.837 -1.392 16.123 1.00 0.00 WT2 H ATOM 27352 OH2 TIP3 447 -1.117 3.429 3.823 1.00 0.00 WT2 O ATOM 27353 H1 TIP3 447 8.418 21.629 -11.723 1.00 0.00 WT2 H ATOM 27354 H2 TIP3 447 -24.781 14.997 2.331 1.00 0.00 WT2 H ATOM 27355 OH2 TIP3 450 -3.026 1.019 -3.046 1.00 0.00 WT2 O ATOM 27356 H1 TIP3 450 -1.039 13.503 13.635 1.00 0.00 WT2 H ATOM 27357 H2 TIP3 450 8.885 -7.498 -17.499 1.00 0.00 WT2 H ATOM 27358 OH2 TIP3 460 1.225 -2.364 1.631 1.00 0.00 WT2 O ATOM 27359 H1 TIP3 460 5.957 -2.267 -12.908 1.00 0.00 WT2 H ATOM 27360 H2 TIP3 460 -3.221 6.993 4.721 1.00 0.00 WT2 H ATOM 27361 OH2 TIP3 465 -0.986 -4.633 0.357 1.00 0.00 WT2 O ATOM 27362 H1 TIP3 465 1.396 -4.582 -3.841 1.00 0.00 WT2 H ATOM 27363 H2 TIP3 465 13.120 6.378 6.321 1.00 0.00 WT2 H ATOM 27364 OH2 TIP3 466 -4.495 -0.038 0.519 1.00 0.00 WT2 O ATOM 27365 H1 TIP3 466 3.208 1.924 -0.090 1.00 0.00 WT2 H ATOM 27366 H2 TIP3 466 14.107 -6.567 -6.016 1.00 0.00 WT2 H ATOM 27367 OH2 TIP3 467 0.961 -5.959 -0.732 1.00 0.00 WT2 O ATOM 27368 H1 TIP3 467 -1.223 -3.128 3.376 1.00 0.00 WT2 H ATOM 27369 H2 TIP3 467 2.485 -8.887 -4.005 1.00 0.00 WT2 H ATOM 27370 OH2 TIP3 468 1.650 1.297 -1.715 1.00 0.00 WT2 O ATOM 27371 H1 TIP3 468 -5.039 10.191 7.489 1.00 0.00 WT2 H ATOM 27372 H2 TIP3 468 3.887 -15.680 -10.197 1.00 0.00 WT2 H ATOM 27373 OH2 TIP3 469 -2.918 0.459 2.427 1.00 0.00 WT2 O ATOM 27374 H1 TIP3 469 10.085 6.708 4.847 1.00 0.00 WT2 H ATOM 27375 H2 TIP3 469 -6.333 -2.425 2.312 1.00 0.00 WT2 H ATOM 27376 OH2 TIP3 470 7.563 -4.255 -5.311 1.00 0.00 WT2 O ATOM 27377 H1 TIP3 470 1.763 3.939 2.735 1.00 0.00 WT2 H ATOM 27378 H2 TIP3 470 7.112 -0.393 -6.786 1.00 0.00 WT2 H ATOM 27379 OH2 TIP3 472 2.309 0.994 -5.809 1.00 0.00 WT2 O ATOM 27380 H1 TIP3 472 -35.012 18.870 -31.561 1.00 0.00 WT2 H ATOM 27381 H2 TIP3 472 25.416 -3.431 -8.865 1.00 0.00 WT2 H ATOM 27382 OH2 TIP3 478 2.026 0.989 -4.001 1.00 0.00 WT2 O ATOM 27383 H1 TIP3 478 3.031 18.305 -5.760 1.00 0.00 WT2 H ATOM 27384 H2 TIP3 478 12.284 -11.248 -18.058 1.00 0.00 WT2 H ATOM 27385 OH2 TIP3 483 -3.244 3.347 4.714 1.00 0.00 WT2 O ATOM 27386 H1 TIP3 483 -3.928 7.385 2.612 1.00 0.00 WT2 H ATOM 27387 H2 TIP3 483 -4.703 1.798 9.141 1.00 0.00 WT2 H ATOM 27388 OH2 TIP3 484 2.050 -5.561 -3.740 1.00 0.00 WT2 O ATOM 27389 H1 TIP3 484 17.199 6.361 -7.017 1.00 0.00 WT2 H ATOM 27390 H2 TIP3 484 -3.185 -1.409 13.077 1.00 0.00 WT2 H ATOM 27391 OH2 TIP3 485 -5.459 -1.748 -8.433 1.00 0.00 WT2 O ATOM 27392 H1 TIP3 485 -4.013 5.370 -21.789 1.00 0.00 WT2 H ATOM 27393 H2 TIP3 485 0.204 9.028 6.572 1.00 0.00 WT2 H ATOM 27394 OH2 TIP3 486 -1.877 -4.652 -2.817 1.00 0.00 WT2 O ATOM 27395 H1 TIP3 486 -7.106 -25.908 1.531 1.00 0.00 WT2 H ATOM 27396 H2 TIP3 486 -2.256 16.013 -3.164 1.00 0.00 WT2 H ATOM 27397 OH2 TIP3 488 -1.880 1.758 2.678 1.00 0.00 WT2 O ATOM 27398 H1 TIP3 488 -12.020 0.668 -16.756 1.00 0.00 WT2 H ATOM 27399 H2 TIP3 488 -5.033 1.948 12.897 1.00 0.00 WT2 H ATOM 27400 OH2 TIP3 489 1.202 -0.707 5.799 1.00 0.00 WT2 O ATOM 27401 H1 TIP3 489 -3.524 -3.775 6.702 1.00 0.00 WT2 H ATOM 27402 H2 TIP3 489 25.632 5.971 31.693 1.00 0.00 WT2 H ATOM 27403 OH2 TIP3 492 -6.353 -5.931 -4.436 1.00 0.00 WT2 O ATOM 27404 H1 TIP3 492 -11.136 -4.530 -3.081 1.00 0.00 WT2 H ATOM 27405 H2 TIP3 492 15.182 -16.009 -11.042 1.00 0.00 WT2 H ATOM 27406 OH2 TIP3 503 -1.353 -1.050 -5.289 1.00 0.00 WT2 O ATOM 27407 H1 TIP3 503 5.317 2.720 11.640 1.00 0.00 WT2 H ATOM 27408 H2 TIP3 503 2.836 4.380 7.381 1.00 0.00 WT2 H ATOM 27409 OH2 TIP3 506 -16.759 3.016 1.232 1.00 0.00 WT2 O ATOM 27410 H1 TIP3 506 -28.033 7.986 15.765 1.00 0.00 WT2 H ATOM 27411 H2 TIP3 506 5.143 12.902 0.130 1.00 0.00 WT2 H ATOM 27412 OH2 TIP3 507 4.507 7.447 -1.935 1.00 0.00 WT2 O ATOM 27413 H1 TIP3 507 6.303 8.674 8.611 1.00 0.00 WT2 H ATOM 27414 H2 TIP3 507 4.142 1.029 -16.245 1.00 0.00 WT2 H ATOM 27415 OH2 TIP3 508 -4.405 -0.910 6.266 1.00 0.00 WT2 O ATOM 27416 H1 TIP3 508 16.762 10.428 10.390 1.00 0.00 WT2 H ATOM 27417 H2 TIP3 508 14.426 2.557 18.479 1.00 0.00 WT2 H ATOM 27418 OH2 TIP3 509 1.287 -1.287 -3.202 1.00 0.00 WT2 O ATOM 27419 H1 TIP3 509 14.298 -11.843 -8.519 1.00 0.00 WT2 H ATOM 27420 H2 TIP3 509 -12.666 21.976 2.606 1.00 0.00 WT2 H ATOM 27421 OH2 TIP3 511 0.887 1.499 1.348 1.00 0.00 WT2 O ATOM 27422 H1 TIP3 511 8.556 -11.527 -2.887 1.00 0.00 WT2 H ATOM 27423 H2 TIP3 511 2.738 7.108 15.254 1.00 0.00 WT2 H ATOM 27424 OH2 TIP3 512 -3.493 0.043 3.479 1.00 0.00 WT2 O ATOM 27425 H1 TIP3 512 11.603 -3.457 -1.954 1.00 0.00 WT2 H ATOM 27426 H2 TIP3 512 0.426 -6.047 9.841 1.00 0.00 WT2 H ATOM 27427 OH2 TIP3 513 3.981 -5.174 1.823 1.00 0.00 WT2 O ATOM 27428 H1 TIP3 513 13.151 1.968 5.083 1.00 0.00 WT2 H ATOM 27429 H2 TIP3 513 0.595 -12.941 -10.042 1.00 0.00 WT2 H ATOM 27430 OH2 TIP3 517 -1.805 7.359 -0.845 1.00 0.00 WT2 O ATOM 27431 H1 TIP3 517 1.872 -7.228 0.940 1.00 0.00 WT2 H ATOM 27432 H2 TIP3 517 18.283 6.535 8.261 1.00 0.00 WT2 H ATOM 27433 OH2 TIP3 528 -4.614 -2.563 3.043 1.00 0.00 WT2 O ATOM 27434 H1 TIP3 528 -0.817 0.827 -1.179 1.00 0.00 WT2 H ATOM 27435 H2 TIP3 528 7.971 5.616 -5.555 1.00 0.00 WT2 H ATOM 27436 OH2 TIP3 529 3.256 -3.823 -5.175 1.00 0.00 WT2 O ATOM 27437 H1 TIP3 529 -3.728 -16.917 15.493 1.00 0.00 WT2 H ATOM 27438 H2 TIP3 529 10.456 6.921 1.383 1.00 0.00 WT2 H ATOM 27439 OH2 TIP3 530 -5.160 -0.305 -2.075 1.00 0.00 WT2 O ATOM 27440 H1 TIP3 530 8.009 -23.353 -18.484 1.00 0.00 WT2 H ATOM 27441 H2 TIP3 530 -1.280 18.586 -1.457 1.00 0.00 WT2 H ATOM 27442 OH2 TIP3 532 1.217 -6.257 -10.393 1.00 0.00 WT2 O ATOM 27443 H1 TIP3 532 32.921 -9.801 3.163 1.00 0.00 WT2 H ATOM 27444 H2 TIP3 532 -3.150 19.397 -17.627 1.00 0.00 WT2 H ATOM 27445 OH2 TIP3 533 0.406 -4.235 -1.876 1.00 0.00 WT2 O ATOM 27446 H1 TIP3 533 7.668 -6.064 0.918 1.00 0.00 WT2 H ATOM 27447 H2 TIP3 533 5.776 5.073 -10.668 1.00 0.00 WT2 H ATOM 27448 OH2 TIP3 535 -6.137 3.638 1.265 1.00 0.00 WT2 O ATOM 27449 H1 TIP3 535 6.108 -6.367 22.374 1.00 0.00 WT2 H ATOM 27450 H2 TIP3 535 -11.279 7.912 -6.602 1.00 0.00 WT2 H ATOM 27451 OH2 TIP3 543 4.271 -0.695 3.333 1.00 0.00 WT2 O ATOM 27452 H1 TIP3 543 -3.851 12.501 -2.894 1.00 0.00 WT2 H ATOM 27453 H2 TIP3 543 -15.086 26.655 -9.461 1.00 0.00 WT2 H ATOM 27454 OH2 TIP3 547 -2.496 -2.981 1.514 1.00 0.00 WT2 O ATOM 27455 H1 TIP3 547 -6.482 -4.449 14.332 1.00 0.00 WT2 H ATOM 27456 H2 TIP3 547 -22.082 11.431 -9.109 1.00 0.00 WT2 H ATOM 27457 OH2 TIP3 549 0.820 4.274 -7.555 1.00 0.00 WT2 O ATOM 27458 H1 TIP3 549 -12.640 9.869 -8.145 1.00 0.00 WT2 H ATOM 27459 H2 TIP3 549 10.552 5.773 -9.872 1.00 0.00 WT2 H ATOM 27460 OH2 TIP3 550 6.095 -2.785 1.758 1.00 0.00 WT2 O ATOM 27461 H1 TIP3 550 5.481 -9.188 -23.432 1.00 0.00 WT2 H ATOM 27462 H2 TIP3 550 18.703 -0.527 3.547 1.00 0.00 WT2 H ATOM 27463 OH2 TIP3 551 -0.307 2.613 0.600 1.00 0.00 WT2 O ATOM 27464 H1 TIP3 551 0.480 2.382 1.020 1.00 0.00 WT2 H ATOM 27465 H2 TIP3 551 -12.833 9.784 -5.464 1.00 0.00 WT2 H ATOM 27466 OH2 TIP3 554 -0.383 -2.248 -5.747 1.00 0.00 WT2 O ATOM 27467 H1 TIP3 554 13.647 7.420 6.478 1.00 0.00 WT2 H ATOM 27468 H2 TIP3 554 -18.654 -18.115 -25.348 1.00 0.00 WT2 H ATOM 27469 OH2 TIP3 558 -5.756 1.087 -3.287 1.00 0.00 WT2 O ATOM 27470 H1 TIP3 558 -12.142 -12.968 1.257 1.00 0.00 WT2 H ATOM 27471 H2 TIP3 558 -2.390 -2.413 -13.559 1.00 0.00 WT2 H ATOM 27472 OH2 TIP3 562 4.771 0.141 2.879 1.00 0.00 WT2 O ATOM 27473 H1 TIP3 562 13.251 -10.488 13.519 1.00 0.00 WT2 H ATOM 27474 H2 TIP3 562 11.891 2.507 8.121 1.00 0.00 WT2 H ATOM 27475 OH2 TIP3 568 5.390 6.561 2.766 1.00 0.00 WT2 O ATOM 27476 H1 TIP3 568 5.014 -7.108 11.867 1.00 0.00 WT2 H ATOM 27477 H2 TIP3 568 -14.954 -15.151 14.322 1.00 0.00 WT2 H ATOM 27478 OH2 TIP3 570 4.888 6.493 -1.154 1.00 0.00 WT2 O ATOM 27479 H1 TIP3 570 21.377 -14.112 14.123 1.00 0.00 WT2 H ATOM 27480 H2 TIP3 570 11.452 0.738 20.991 1.00 0.00 WT2 H ATOM 27481 OH2 TIP3 572 4.237 6.689 -3.571 1.00 0.00 WT2 O ATOM 27482 H1 TIP3 572 2.539 7.470 -0.271 1.00 0.00 WT2 H ATOM 27483 H2 TIP3 572 6.812 7.664 -4.845 1.00 0.00 WT2 H ATOM 27484 OH2 TIP3 573 -2.315 4.190 2.039 1.00 0.00 WT2 O ATOM 27485 H1 TIP3 573 -2.464 5.853 7.909 1.00 0.00 WT2 H ATOM 27486 H2 TIP3 573 1.717 10.985 21.965 1.00 0.00 WT2 H ATOM 27487 OH2 TIP3 574 0.351 -3.525 -2.204 1.00 0.00 WT2 O ATOM 27488 H1 TIP3 574 -4.428 -8.527 -13.396 1.00 0.00 WT2 H ATOM 27489 H2 TIP3 574 -3.117 3.578 -9.570 1.00 0.00 WT2 H ATOM 27490 OH2 TIP3 575 2.323 -0.345 -1.549 1.00 0.00 WT2 O ATOM 27491 H1 TIP3 575 0.013 9.107 2.241 1.00 0.00 WT2 H ATOM 27492 H2 TIP3 575 -4.373 -22.284 -20.556 1.00 0.00 WT2 H ATOM 27493 OH2 TIP3 584 -1.220 4.404 -7.049 1.00 0.00 WT2 O ATOM 27494 H1 TIP3 584 0.835 -15.766 11.490 1.00 0.00 WT2 H ATOM 27495 H2 TIP3 584 14.749 -16.182 -16.476 1.00 0.00 WT2 H ATOM 27496 OH2 TIP3 588 -5.102 -0.972 5.687 1.00 0.00 WT2 O ATOM 27497 H1 TIP3 588 -11.425 3.066 -5.188 1.00 0.00 WT2 H ATOM 27498 H2 TIP3 588 -8.624 -6.760 18.740 1.00 0.00 WT2 H ATOM 27499 OH2 TIP3 591 7.979 2.775 1.745 1.00 0.00 WT2 O ATOM 27500 H1 TIP3 591 10.900 9.701 -15.323 1.00 0.00 WT2 H ATOM 27501 H2 TIP3 591 2.550 2.100 0.087 1.00 0.00 WT2 H ATOM 27502 OH2 TIP3 592 3.836 0.165 -1.683 1.00 0.00 WT2 O ATOM 27503 H1 TIP3 592 -11.344 -6.836 24.312 1.00 0.00 WT2 H ATOM 27504 H2 TIP3 592 5.808 12.896 11.566 1.00 0.00 WT2 H ATOM 27505 OH2 TIP3 593 0.367 8.073 -0.390 1.00 0.00 WT2 O ATOM 27506 H1 TIP3 593 4.885 14.921 15.752 1.00 0.00 WT2 H ATOM 27507 H2 TIP3 593 -6.032 -7.348 -15.223 1.00 0.00 WT2 H ATOM 27508 OH2 TIP3 594 10.923 1.438 3.878 1.00 0.00 WT2 O ATOM 27509 H1 TIP3 594 0.083 -1.279 10.952 1.00 0.00 WT2 H ATOM 27510 H2 TIP3 594 -6.962 -3.913 4.546 1.00 0.00 WT2 H ATOM 27511 OH2 TIP3 595 -0.107 -0.406 -1.468 1.00 0.00 WT2 O ATOM 27512 H1 TIP3 595 -3.672 -8.484 -11.416 1.00 0.00 WT2 H ATOM 27513 H2 TIP3 595 -5.642 -6.098 8.961 1.00 0.00 WT2 H ATOM 27514 OH2 TIP3 596 1.842 -4.507 -3.051 1.00 0.00 WT2 O ATOM 27515 H1 TIP3 596 25.046 -10.236 14.062 1.00 0.00 WT2 H ATOM 27516 H2 TIP3 596 1.881 -19.589 -19.693 1.00 0.00 WT2 H ATOM 27517 OH2 TIP3 611 -2.676 -1.217 -4.784 1.00 0.00 WT2 O ATOM 27518 H1 TIP3 611 4.890 8.004 -3.965 1.00 0.00 WT2 H ATOM 27519 H2 TIP3 611 -9.522 1.248 -9.666 1.00 0.00 WT2 H ATOM 27520 OH2 TIP3 612 1.634 -0.367 -1.593 1.00 0.00 WT2 O ATOM 27521 H1 TIP3 612 3.188 -7.874 -3.248 1.00 0.00 WT2 H ATOM 27522 H2 TIP3 612 4.934 -23.258 -6.265 1.00 0.00 WT2 H ATOM 27523 OH2 TIP3 613 -2.835 -2.060 0.502 1.00 0.00 WT2 O ATOM 27524 H1 TIP3 613 6.087 -10.896 -6.376 1.00 0.00 WT2 H ATOM 27525 H2 TIP3 613 -15.163 2.866 31.922 1.00 0.00 WT2 H ATOM 27526 OH2 TIP3 616 -0.406 0.030 -0.369 1.00 0.00 WT2 O ATOM 27527 H1 TIP3 616 0.391 -7.344 -8.046 1.00 0.00 WT2 H ATOM 27528 H2 TIP3 616 16.916 -1.643 14.614 1.00 0.00 WT2 H ATOM 27529 OH2 TIP3 617 0.106 0.936 -1.693 1.00 0.00 WT2 O ATOM 27530 H1 TIP3 617 27.311 8.141 5.011 1.00 0.00 WT2 H ATOM 27531 H2 TIP3 617 0.627 -3.273 11.302 1.00 0.00 WT2 H ATOM 27532 OH2 TIP3 619 4.285 -5.571 -0.496 1.00 0.00 WT2 O ATOM 27533 H1 TIP3 619 9.884 -4.205 -6.098 1.00 0.00 WT2 H ATOM 27534 H2 TIP3 619 1.552 -0.738 -3.083 1.00 0.00 WT2 H ATOM 27535 OH2 TIP3 632 -3.575 -3.510 -5.050 1.00 0.00 WT2 O ATOM 27536 H1 TIP3 632 -4.227 -3.327 4.397 1.00 0.00 WT2 H ATOM 27537 H2 TIP3 632 -9.617 0.157 -7.243 1.00 0.00 WT2 H ATOM 27538 OH2 TIP3 634 4.374 -0.410 -0.163 1.00 0.00 WT2 O ATOM 27539 H1 TIP3 634 4.043 -3.207 -10.367 1.00 0.00 WT2 H ATOM 27540 H2 TIP3 634 -4.260 19.154 17.447 1.00 0.00 WT2 H ATOM 27541 OH2 TIP3 635 -0.915 -3.136 -1.130 1.00 0.00 WT2 O ATOM 27542 H1 TIP3 635 -10.918 6.013 -17.848 1.00 0.00 WT2 H ATOM 27543 H2 TIP3 635 -9.882 -6.211 20.737 1.00 0.00 WT2 H ATOM 27544 OH2 TIP3 638 1.063 5.600 4.459 1.00 0.00 WT2 O ATOM 27545 H1 TIP3 638 2.122 -0.532 1.922 1.00 0.00 WT2 H ATOM 27546 H2 TIP3 638 -9.217 9.734 -1.931 1.00 0.00 WT2 H ATOM 27547 OH2 TIP3 640 -3.229 -1.172 -4.852 1.00 0.00 WT2 O ATOM 27548 H1 TIP3 640 -9.844 -12.190 -9.265 1.00 0.00 WT2 H ATOM 27549 H2 TIP3 640 -7.705 -12.827 21.319 1.00 0.00 WT2 H ATOM 27550 OH2 TIP3 653 -3.916 1.272 -1.293 1.00 0.00 WT2 O ATOM 27551 H1 TIP3 653 -10.179 4.844 3.717 1.00 0.00 WT2 H ATOM 27552 H2 TIP3 653 -3.172 -4.018 -1.513 1.00 0.00 WT2 H ATOM 27553 OH2 TIP3 654 -6.137 -0.759 2.585 1.00 0.00 WT2 O ATOM 27554 H1 TIP3 654 8.130 -6.609 2.603 1.00 0.00 WT2 H ATOM 27555 H2 TIP3 654 8.100 -26.706 11.923 1.00 0.00 WT2 H ATOM 27556 OH2 TIP3 656 -6.114 1.171 1.536 1.00 0.00 WT2 O ATOM 27557 H1 TIP3 656 23.136 -7.289 1.327 1.00 0.00 WT2 H ATOM 27558 H2 TIP3 656 -0.774 3.640 15.794 1.00 0.00 WT2 H ATOM 27559 OH2 TIP3 657 2.943 -0.718 -2.941 1.00 0.00 WT2 O ATOM 27560 H1 TIP3 657 -3.420 -2.548 9.535 1.00 0.00 WT2 H ATOM 27561 H2 TIP3 657 12.846 -10.094 -17.275 1.00 0.00 WT2 H ATOM 27562 OH2 TIP3 659 0.658 -2.365 2.427 1.00 0.00 WT2 O ATOM 27563 H1 TIP3 659 8.251 -0.118 5.538 1.00 0.00 WT2 H ATOM 27564 H2 TIP3 659 -17.644 -3.563 11.743 1.00 0.00 WT2 H ATOM 27565 OH2 TIP3 660 0.628 3.117 8.216 1.00 0.00 WT2 O ATOM 27566 H1 TIP3 660 1.169 -0.736 16.474 1.00 0.00 WT2 H ATOM 27567 H2 TIP3 660 -7.596 4.607 6.239 1.00 0.00 WT2 H ATOM 27568 OH2 TIP3 672 1.231 2.111 1.409 1.00 0.00 WT2 O ATOM 27569 H1 TIP3 672 1.441 4.476 -11.676 1.00 0.00 WT2 H ATOM 27570 H2 TIP3 672 24.836 -8.193 10.282 1.00 0.00 WT2 H ATOM 27571 OH2 TIP3 674 0.880 6.018 1.131 1.00 0.00 WT2 O ATOM 27572 H1 TIP3 674 4.648 1.100 2.952 1.00 0.00 WT2 H ATOM 27573 H2 TIP3 674 -2.072 2.311 -0.281 1.00 0.00 WT2 H ATOM 27574 OH2 TIP3 675 2.656 3.264 8.336 1.00 0.00 WT2 O ATOM 27575 H1 TIP3 675 -6.958 12.248 -4.701 1.00 0.00 WT2 H ATOM 27576 H2 TIP3 675 5.392 -8.560 1.959 1.00 0.00 WT2 H ATOM 27577 OH2 TIP3 676 -0.771 -6.571 6.583 1.00 0.00 WT2 O ATOM 27578 H1 TIP3 676 10.206 -23.943 5.926 1.00 0.00 WT2 H ATOM 27579 H2 TIP3 676 27.574 24.689 4.648 1.00 0.00 WT2 H ATOM 27580 OH2 TIP3 677 -3.633 -2.329 0.126 1.00 0.00 WT2 O ATOM 27581 H1 TIP3 677 5.726 -15.524 -5.879 1.00 0.00 WT2 H ATOM 27582 H2 TIP3 677 -10.200 -23.642 9.033 1.00 0.00 WT2 H ATOM 27583 OH2 TIP3 680 3.083 1.317 3.292 1.00 0.00 WT2 O ATOM 27584 H1 TIP3 680 8.262 -0.716 -6.616 1.00 0.00 WT2 H ATOM 27585 H2 TIP3 680 -6.874 -12.199 9.034 1.00 0.00 WT2 H ATOM 27586 OH2 TIP3 682 1.109 5.793 -7.039 1.00 0.00 WT2 O ATOM 27587 H1 TIP3 682 8.032 6.008 6.889 1.00 0.00 WT2 H ATOM 27588 H2 TIP3 682 -6.395 -5.477 6.905 1.00 0.00 WT2 H ATOM 27589 OH2 TIP3 683 -5.640 -2.791 -2.575 1.00 0.00 WT2 O ATOM 27590 H1 TIP3 683 7.387 2.737 3.852 1.00 0.00 WT2 H ATOM 27591 H2 TIP3 683 -1.593 -16.287 -11.629 1.00 0.00 WT2 H ATOM 27592 OH2 TIP3 692 -2.301 9.487 0.716 1.00 0.00 WT2 O ATOM 27593 H1 TIP3 692 -3.762 0.148 -11.403 1.00 0.00 WT2 H ATOM 27594 H2 TIP3 692 1.939 4.593 5.778 1.00 0.00 WT2 H ATOM 27595 OH2 TIP3 695 -3.493 -3.811 6.158 1.00 0.00 WT2 O ATOM 27596 H1 TIP3 695 16.886 -24.339 -8.125 1.00 0.00 WT2 H ATOM 27597 H2 TIP3 695 -3.518 0.472 5.421 1.00 0.00 WT2 H ATOM 27598 OH2 TIP3 696 -1.466 -0.260 4.150 1.00 0.00 WT2 O ATOM 27599 H1 TIP3 696 -36.930 4.620 -21.100 1.00 0.00 WT2 H ATOM 27600 H2 TIP3 696 3.912 17.293 -2.766 1.00 0.00 WT2 H ATOM 27601 OH2 TIP3 697 4.329 0.335 -6.018 1.00 0.00 WT2 O ATOM 27602 H1 TIP3 697 -1.820 -12.568 9.028 1.00 0.00 WT2 H ATOM 27603 H2 TIP3 697 0.778 -18.776 14.728 1.00 0.00 WT2 H ATOM 27604 OH2 TIP3 698 8.526 4.551 -0.155 1.00 0.00 WT2 O ATOM 27605 H1 TIP3 698 31.020 -0.750 9.832 1.00 0.00 WT2 H ATOM 27606 H2 TIP3 698 17.819 1.582 8.115 1.00 0.00 WT2 H ATOM 27607 OH2 TIP3 699 2.976 -0.897 1.141 1.00 0.00 WT2 O ATOM 27608 H1 TIP3 699 -16.272 17.337 9.055 1.00 0.00 WT2 H ATOM 27609 H2 TIP3 699 9.297 -8.237 6.820 1.00 0.00 WT2 H ATOM 27610 OH2 TIP3 715 5.458 -2.850 -0.379 1.00 0.00 WT2 O ATOM 27611 H1 TIP3 715 -6.103 -5.528 -3.084 1.00 0.00 WT2 H ATOM 27612 H2 TIP3 715 5.979 -0.041 3.303 1.00 0.00 WT2 H ATOM 27613 OH2 TIP3 716 3.502 -0.229 -0.453 1.00 0.00 WT2 O ATOM 27614 H1 TIP3 716 -9.568 2.461 -5.805 1.00 0.00 WT2 H ATOM 27615 H2 TIP3 716 -0.898 9.874 -12.908 1.00 0.00 WT2 H ATOM 27616 OH2 TIP3 717 -4.698 4.386 -0.709 1.00 0.00 WT2 O ATOM 27617 H1 TIP3 717 -6.896 -5.977 0.813 1.00 0.00 WT2 H ATOM 27618 H2 TIP3 717 2.534 -11.637 -16.149 1.00 0.00 WT2 H ATOM 27619 OH2 TIP3 718 -1.602 -1.667 1.212 1.00 0.00 WT2 O ATOM 27620 H1 TIP3 718 -8.586 -19.999 11.187 1.00 0.00 WT2 H ATOM 27621 H2 TIP3 718 -0.159 -10.740 -12.820 1.00 0.00 WT2 H ATOM 27622 OH2 TIP3 719 3.078 0.295 -2.361 1.00 0.00 WT2 O ATOM 27623 H1 TIP3 719 0.580 8.482 -9.958 1.00 0.00 WT2 H ATOM 27624 H2 TIP3 719 -3.513 -9.547 0.204 1.00 0.00 WT2 H ATOM 27625 OH2 TIP3 720 1.306 -6.464 1.635 1.00 0.00 WT2 O ATOM 27626 H1 TIP3 720 -17.998 -4.708 -13.130 1.00 0.00 WT2 H ATOM 27627 H2 TIP3 720 -15.730 -3.444 -10.737 1.00 0.00 WT2 H ATOM 27628 OH2 TIP3 721 -6.668 1.299 -7.122 1.00 0.00 WT2 O ATOM 27629 H1 TIP3 721 -10.690 4.912 -5.451 1.00 0.00 WT2 H ATOM 27630 H2 TIP3 721 4.733 1.617 -1.171 1.00 0.00 WT2 H ATOM 27631 OH2 TIP3 735 4.413 1.498 1.297 1.00 0.00 WT2 O ATOM 27632 H1 TIP3 735 -11.614 17.846 16.793 1.00 0.00 WT2 H ATOM 27633 H2 TIP3 735 3.456 3.021 -2.064 1.00 0.00 WT2 H ATOM 27634 OH2 TIP3 736 4.208 7.888 4.049 1.00 0.00 WT2 O ATOM 27635 H1 TIP3 736 0.076 4.264 2.798 1.00 0.00 WT2 H ATOM 27636 H2 TIP3 736 8.541 2.728 8.430 1.00 0.00 WT2 H ATOM 27637 OH2 TIP3 738 3.812 1.753 -2.751 1.00 0.00 WT2 O ATOM 27638 H1 TIP3 738 8.383 -9.485 -0.611 1.00 0.00 WT2 H ATOM 27639 H2 TIP3 738 -2.746 -7.264 -5.214 1.00 0.00 WT2 H ATOM 27640 OH2 TIP3 739 -3.817 1.961 0.696 1.00 0.00 WT2 O ATOM 27641 H1 TIP3 739 4.152 7.963 18.565 1.00 0.00 WT2 H ATOM 27642 H2 TIP3 739 -1.014 -15.381 -0.384 1.00 0.00 WT2 H ATOM 27643 OH2 TIP3 740 3.132 3.563 6.344 1.00 0.00 WT2 O ATOM 27644 H1 TIP3 740 -24.358 -11.068 1.436 1.00 0.00 WT2 H ATOM 27645 H2 TIP3 740 -12.274 -3.522 11.930 1.00 0.00 WT2 H ATOM 27646 OH2 TIP3 741 1.099 3.214 -0.953 1.00 0.00 WT2 O ATOM 27647 H1 TIP3 741 11.875 -6.950 -3.661 1.00 0.00 WT2 H ATOM 27648 H2 TIP3 741 1.570 6.193 14.629 1.00 0.00 WT2 H ATOM 27649 OH2 TIP3 744 -2.758 0.662 1.259 1.00 0.00 WT2 O ATOM 27650 H1 TIP3 744 -9.006 -11.098 16.819 1.00 0.00 WT2 H ATOM 27651 H2 TIP3 744 -19.352 1.917 -4.612 1.00 0.00 WT2 H ATOM 27652 OH2 TIP3 746 -2.267 1.988 0.587 1.00 0.00 WT2 O ATOM 27653 H1 TIP3 746 -10.639 19.418 -8.511 1.00 0.00 WT2 H ATOM 27654 H2 TIP3 746 -9.139 14.380 -10.663 1.00 0.00 WT2 H ATOM 27655 OH2 TIP3 757 -8.828 0.979 5.221 1.00 0.00 WT2 O ATOM 27656 H1 TIP3 757 -14.043 -0.489 13.383 1.00 0.00 WT2 H ATOM 27657 H2 TIP3 757 -7.557 7.977 6.879 1.00 0.00 WT2 H ATOM 27658 OH2 TIP3 758 2.159 0.810 -3.565 1.00 0.00 WT2 O ATOM 27659 H1 TIP3 758 0.676 6.316 18.537 1.00 0.00 WT2 H ATOM 27660 H2 TIP3 758 -20.672 8.636 10.271 1.00 0.00 WT2 H ATOM 27661 OH2 TIP3 759 -1.405 -0.935 -3.499 1.00 0.00 WT2 O ATOM 27662 H1 TIP3 759 4.693 1.803 -8.292 1.00 0.00 WT2 H ATOM 27663 H2 TIP3 759 2.204 9.458 1.119 1.00 0.00 WT2 H ATOM 27664 OH2 TIP3 760 0.344 -0.118 4.384 1.00 0.00 WT2 O ATOM 27665 H1 TIP3 760 2.749 6.603 -22.732 1.00 0.00 WT2 H ATOM 27666 H2 TIP3 760 15.694 0.409 0.475 1.00 0.00 WT2 H ATOM 27667 OH2 TIP3 765 -3.765 1.322 -1.558 1.00 0.00 WT2 O ATOM 27668 H1 TIP3 765 11.487 -4.055 -13.241 1.00 0.00 WT2 H ATOM 27669 H2 TIP3 765 -5.803 1.858 -12.456 1.00 0.00 WT2 H ATOM 27670 OH2 TIP3 766 -2.120 2.443 -7.541 1.00 0.00 WT2 O ATOM 27671 H1 TIP3 766 -17.348 5.637 -7.924 1.00 0.00 WT2 H ATOM 27672 H2 TIP3 766 5.918 -2.830 2.406 1.00 0.00 WT2 H ATOM 27673 OH2 TIP3 776 3.030 7.780 -1.877 1.00 0.00 WT2 O ATOM 27674 H1 TIP3 776 -23.384 2.576 12.570 1.00 0.00 WT2 H ATOM 27675 H2 TIP3 776 24.346 7.350 -15.683 1.00 0.00 WT2 H ATOM 27676 OH2 TIP3 778 -0.609 -3.019 -2.335 1.00 0.00 WT2 O ATOM 27677 H1 TIP3 778 -8.935 -10.528 -8.382 1.00 0.00 WT2 H ATOM 27678 H2 TIP3 778 -7.533 9.093 -2.689 1.00 0.00 WT2 H ATOM 27679 OH2 TIP3 780 3.350 6.052 1.786 1.00 0.00 WT2 O ATOM 27680 H1 TIP3 780 15.196 -3.595 -4.734 1.00 0.00 WT2 H ATOM 27681 H2 TIP3 780 -4.382 3.600 2.654 1.00 0.00 WT2 H ATOM 27682 OH2 TIP3 781 2.824 -0.161 -1.109 1.00 0.00 WT2 O ATOM 27683 H1 TIP3 781 -2.292 12.144 0.360 1.00 0.00 WT2 H ATOM 27684 H2 TIP3 781 10.433 16.039 4.454 1.00 0.00 WT2 H ATOM 27685 OH2 TIP3 782 -0.832 0.210 0.309 1.00 0.00 WT2 O ATOM 27686 H1 TIP3 782 18.713 2.013 -11.278 1.00 0.00 WT2 H ATOM 27687 H2 TIP3 782 10.458 0.563 -6.370 1.00 0.00 WT2 H ATOM 27688 OH2 TIP3 783 0.598 2.834 -2.306 1.00 0.00 WT2 O ATOM 27689 H1 TIP3 783 1.240 3.682 -1.335 1.00 0.00 WT2 H ATOM 27690 H2 TIP3 783 3.579 8.306 2.419 1.00 0.00 WT2 H ATOM 27691 OH2 TIP3 784 -4.545 4.864 -2.353 1.00 0.00 WT2 O ATOM 27692 H1 TIP3 784 -6.644 6.516 0.466 1.00 0.00 WT2 H ATOM 27693 H2 TIP3 784 -0.661 0.785 -3.482 1.00 0.00 WT2 H ATOM 27694 OH2 TIP3 785 4.017 -5.284 3.882 1.00 0.00 WT2 O ATOM 27695 H1 TIP3 785 -15.447 -1.905 5.771 1.00 0.00 WT2 H ATOM 27696 H2 TIP3 785 3.387 4.749 -4.850 1.00 0.00 WT2 H ATOM 27697 OH2 TIP3 801 -2.404 -1.010 1.706 1.00 0.00 WT2 O ATOM 27698 H1 TIP3 801 -2.265 -5.865 10.747 1.00 0.00 WT2 H ATOM 27699 H2 TIP3 801 -0.138 4.159 -2.491 1.00 0.00 WT2 H ATOM 27700 OH2 TIP3 802 -0.341 -6.296 -3.861 1.00 0.00 WT2 O ATOM 27701 H1 TIP3 802 -0.689 4.596 -4.894 1.00 0.00 WT2 H ATOM 27702 H2 TIP3 802 2.247 -38.776 2.651 1.00 0.00 WT2 H ATOM 27703 OH2 TIP3 803 -3.906 0.488 -3.625 1.00 0.00 WT2 O ATOM 27704 H1 TIP3 803 -2.021 4.319 1.514 1.00 0.00 WT2 H ATOM 27705 H2 TIP3 803 -2.875 6.627 -15.615 1.00 0.00 WT2 H ATOM 27706 OH2 TIP3 804 7.140 -0.439 3.167 1.00 0.00 WT2 O ATOM 27707 H1 TIP3 804 -14.217 -17.149 -17.805 1.00 0.00 WT2 H ATOM 27708 H2 TIP3 804 -13.998 5.512 13.271 1.00 0.00 WT2 H ATOM 27709 OH2 TIP3 805 3.185 -5.910 5.242 1.00 0.00 WT2 O ATOM 27710 H1 TIP3 805 3.217 -5.006 8.653 1.00 0.00 WT2 H ATOM 27711 H2 TIP3 805 2.528 -6.242 4.221 1.00 0.00 WT2 H ATOM 27712 OH2 TIP3 807 4.532 3.127 -4.195 1.00 0.00 WT2 O ATOM 27713 H1 TIP3 807 -4.709 10.510 5.827 1.00 0.00 WT2 H ATOM 27714 H2 TIP3 807 2.351 15.146 -45.504 1.00 0.00 WT2 H ATOM 27715 OH2 TIP3 809 8.486 -3.510 -3.800 1.00 0.00 WT2 O ATOM 27716 H1 TIP3 809 15.722 0.132 0.632 1.00 0.00 WT2 H ATOM 27717 H2 TIP3 809 7.829 0.615 -10.237 1.00 0.00 WT2 H ATOM 27718 OH2 TIP3 817 -0.121 -3.733 2.912 1.00 0.00 WT2 O ATOM 27719 H1 TIP3 817 14.613 -12.981 24.915 1.00 0.00 WT2 H ATOM 27720 H2 TIP3 817 -24.609 -8.463 3.196 1.00 0.00 WT2 H ATOM 27721 OH2 TIP3 822 5.644 0.312 -5.345 1.00 0.00 WT2 O ATOM 27722 H1 TIP3 822 4.512 0.687 -5.371 1.00 0.00 WT2 H ATOM 27723 H2 TIP3 822 -3.423 -19.949 5.933 1.00 0.00 WT2 H ATOM 27724 OH2 TIP3 823 -0.756 0.889 0.174 1.00 0.00 WT2 O ATOM 27725 H1 TIP3 823 -13.595 1.904 7.046 1.00 0.00 WT2 H ATOM 27726 H2 TIP3 823 -18.609 -4.110 1.677 1.00 0.00 WT2 H ATOM 27727 OH2 TIP3 824 -4.785 2.237 -3.813 1.00 0.00 WT2 O ATOM 27728 H1 TIP3 824 4.833 -12.969 -3.140 1.00 0.00 WT2 H ATOM 27729 H2 TIP3 824 6.704 7.958 10.645 1.00 0.00 WT2 H ATOM 27730 OH2 TIP3 826 3.248 2.076 1.142 1.00 0.00 WT2 O ATOM 27731 H1 TIP3 826 10.812 3.929 -25.504 1.00 0.00 WT2 H ATOM 27732 H2 TIP3 826 -5.186 -22.916 5.332 1.00 0.00 WT2 H ATOM 27733 OH2 TIP3 843 -0.179 -7.164 3.679 1.00 0.00 WT2 O ATOM 27734 H1 TIP3 843 -18.223 -22.243 -2.363 1.00 0.00 WT2 H ATOM 27735 H2 TIP3 843 -14.153 -15.637 1.049 1.00 0.00 WT2 H ATOM 27736 OH2 TIP3 845 1.280 -4.901 2.351 1.00 0.00 WT2 O ATOM 27737 H1 TIP3 845 8.518 3.987 11.747 1.00 0.00 WT2 H ATOM 27738 H2 TIP3 845 -6.710 -4.037 4.231 1.00 0.00 WT2 H ATOM 27739 OH2 TIP3 846 4.488 -1.627 0.749 1.00 0.00 WT2 O ATOM 27740 H1 TIP3 846 -14.458 29.723 6.048 1.00 0.00 WT2 H ATOM 27741 H2 TIP3 846 -10.812 -0.989 -5.129 1.00 0.00 WT2 H ATOM 27742 OH2 TIP3 847 -4.794 -1.691 -10.118 1.00 0.00 WT2 O ATOM 27743 H1 TIP3 847 -16.562 -1.641 -4.261 1.00 0.00 WT2 H ATOM 27744 H2 TIP3 847 -26.585 -0.194 2.064 1.00 0.00 WT2 H ATOM 27745 OH2 TIP3 848 3.102 1.971 -5.820 1.00 0.00 WT2 O ATOM 27746 H1 TIP3 848 23.691 23.012 5.613 1.00 0.00 WT2 H ATOM 27747 H2 TIP3 848 -4.247 0.869 1.581 1.00 0.00 WT2 H ATOM 27748 OH2 TIP3 849 -2.450 3.301 2.851 1.00 0.00 WT2 O ATOM 27749 H1 TIP3 849 -30.008 18.671 -26.371 1.00 0.00 WT2 H ATOM 27750 H2 TIP3 849 7.805 -1.456 11.782 1.00 0.00 WT2 H ATOM 27751 OH2 TIP3 862 1.319 2.577 4.166 1.00 0.00 WT2 O ATOM 27752 H1 TIP3 862 -21.688 -16.383 16.562 1.00 0.00 WT2 H ATOM 27753 H2 TIP3 862 6.878 14.710 -32.092 1.00 0.00 WT2 H ATOM 27754 OH2 TIP3 865 2.507 -5.294 -5.730 1.00 0.00 WT2 O ATOM 27755 H1 TIP3 865 3.237 -13.717 -9.541 1.00 0.00 WT2 H ATOM 27756 H2 TIP3 865 14.247 6.409 -2.755 1.00 0.00 WT2 H ATOM 27757 OH2 TIP3 866 -0.529 -2.239 2.782 1.00 0.00 WT2 O ATOM 27758 H1 TIP3 866 -5.321 -6.656 -7.588 1.00 0.00 WT2 H ATOM 27759 H2 TIP3 866 4.530 14.992 -7.748 1.00 0.00 WT2 H ATOM 27760 OH2 TIP3 867 3.116 -4.263 -2.259 1.00 0.00 WT2 O ATOM 27761 H1 TIP3 867 5.386 -16.894 6.954 1.00 0.00 WT2 H ATOM 27762 H2 TIP3 867 1.552 -8.987 5.994 1.00 0.00 WT2 H ATOM 27763 OH2 TIP3 883 -1.193 -6.649 -0.611 1.00 0.00 WT2 O ATOM 27764 H1 TIP3 883 1.832 5.329 -8.029 1.00 0.00 WT2 H ATOM 27765 H2 TIP3 883 -1.358 -10.471 -6.458 1.00 0.00 WT2 H ATOM 27766 OH2 TIP3 885 2.889 1.453 0.245 1.00 0.00 WT2 O ATOM 27767 H1 TIP3 885 -13.850 -18.360 21.704 1.00 0.00 WT2 H ATOM 27768 H2 TIP3 885 2.500 -38.884 11.403 1.00 0.00 WT2 H ATOM 27769 OH2 TIP3 887 1.098 -0.847 -4.628 1.00 0.00 WT2 O ATOM 27770 H1 TIP3 887 40.151 1.455 10.442 1.00 0.00 WT2 H ATOM 27771 H2 TIP3 887 -22.353 -17.842 27.098 1.00 0.00 WT2 H ATOM 27772 OH2 TIP3 888 -0.634 3.289 -7.843 1.00 0.00 WT2 O ATOM 27773 H1 TIP3 888 -6.849 27.010 2.147 1.00 0.00 WT2 H ATOM 27774 H2 TIP3 888 9.474 -23.302 -17.270 1.00 0.00 WT2 H ATOM 27775 OH2 TIP3 891 -11.205 4.942 -0.067 1.00 0.00 WT2 O ATOM 27776 H1 TIP3 891 -13.794 6.253 1.080 1.00 0.00 WT2 H ATOM 27777 H2 TIP3 891 -6.658 2.748 -3.520 1.00 0.00 WT2 H ATOM 27778 OH2 TIP3 905 -0.445 -4.110 2.002 1.00 0.00 WT2 O ATOM 27779 H1 TIP3 905 6.988 7.231 -27.536 1.00 0.00 WT2 H ATOM 27780 H2 TIP3 905 13.636 -1.121 19.516 1.00 0.00 WT2 H ATOM 27781 OH2 TIP3 906 3.030 0.533 0.753 1.00 0.00 WT2 O ATOM 27782 H1 TIP3 906 11.128 -25.225 -6.552 1.00 0.00 WT2 H ATOM 27783 H2 TIP3 906 7.893 -7.543 20.970 1.00 0.00 WT2 H ATOM 27784 OH2 TIP3 907 5.835 3.777 -4.324 1.00 0.00 WT2 O ATOM 27785 H1 TIP3 907 3.819 1.516 -13.137 1.00 0.00 WT2 H ATOM 27786 H2 TIP3 907 14.590 -4.702 1.281 1.00 0.00 WT2 H ATOM 27787 OH2 TIP3 908 -1.563 0.245 7.152 1.00 0.00 WT2 O ATOM 27788 H1 TIP3 908 -7.240 2.561 3.679 1.00 0.00 WT2 H ATOM 27789 H2 TIP3 908 -6.197 2.167 4.289 1.00 0.00 WT2 H ATOM 27790 OH2 TIP3 909 1.597 4.797 -2.802 1.00 0.00 WT2 O ATOM 27791 H1 TIP3 909 13.786 -19.585 -13.845 1.00 0.00 WT2 H ATOM 27792 H2 TIP3 909 -17.435 16.206 -11.815 1.00 0.00 WT2 H ATOM 27793 OH2 TIP3 910 -1.381 -4.552 -1.356 1.00 0.00 WT2 O ATOM 27794 H1 TIP3 910 -3.462 -3.315 -11.752 1.00 0.00 WT2 H ATOM 27795 H2 TIP3 910 -4.288 -1.243 -1.606 1.00 0.00 WT2 H ATOM 27796 OH2 TIP3 912 2.032 6.499 1.647 1.00 0.00 WT2 O ATOM 27797 H1 TIP3 912 10.347 -10.683 21.835 1.00 0.00 WT2 H ATOM 27798 H2 TIP3 912 -22.463 -6.502 -12.540 1.00 0.00 WT2 H ATOM 27799 OH2 TIP3 913 -0.606 -0.206 10.426 1.00 0.00 WT2 O ATOM 27800 H1 TIP3 913 4.236 10.302 7.264 1.00 0.00 WT2 H ATOM 27801 H2 TIP3 913 -12.486 -1.195 -0.179 1.00 0.00 WT2 H ATOM 27802 OH2 TIP3 924 0.623 -0.917 0.859 1.00 0.00 WT2 O ATOM 27803 H1 TIP3 924 -0.628 0.370 9.322 1.00 0.00 WT2 H ATOM 27804 H2 TIP3 924 6.560 -1.724 -14.756 1.00 0.00 WT2 H ATOM 27805 OH2 TIP3 925 7.282 -0.882 -5.178 1.00 0.00 WT2 O ATOM 27806 H1 TIP3 925 18.810 5.303 -0.443 1.00 0.00 WT2 H ATOM 27807 H2 TIP3 925 3.157 -1.424 7.446 1.00 0.00 WT2 H ATOM 27808 OH2 TIP3 926 3.572 0.207 -1.453 1.00 0.00 WT2 O ATOM 27809 H1 TIP3 926 2.291 -7.381 -10.245 1.00 0.00 WT2 H ATOM 27810 H2 TIP3 926 0.382 -7.223 9.972 1.00 0.00 WT2 H ATOM 27811 OH2 TIP3 927 2.907 -2.757 0.362 1.00 0.00 WT2 O ATOM 27812 H1 TIP3 927 0.883 0.226 -1.305 1.00 0.00 WT2 H ATOM 27813 H2 TIP3 927 -1.279 -8.389 1.698 1.00 0.00 WT2 H ATOM 27814 OH2 TIP3 928 0.576 2.647 -3.954 1.00 0.00 WT2 O ATOM 27815 H1 TIP3 928 -0.237 25.603 5.182 1.00 0.00 WT2 H ATOM 27816 H2 TIP3 928 -11.696 9.611 24.300 1.00 0.00 WT2 H ATOM 27817 OH2 TIP3 929 -1.696 0.856 -10.537 1.00 0.00 WT2 O ATOM 27818 H1 TIP3 929 -14.995 2.944 -2.341 1.00 0.00 WT2 H ATOM 27819 H2 TIP3 929 7.424 -1.492 -14.742 1.00 0.00 WT2 H ATOM 27820 OH2 TIP3 930 3.980 1.911 -0.635 1.00 0.00 WT2 O ATOM 27821 H1 TIP3 930 1.986 -3.542 -13.926 1.00 0.00 WT2 H ATOM 27822 H2 TIP3 930 -0.520 -24.955 -20.219 1.00 0.00 WT2 H ATOM 27823 OH2 TIP3 932 -2.522 -0.748 3.579 1.00 0.00 WT2 O ATOM 27824 H1 TIP3 932 -4.066 11.694 -17.765 1.00 0.00 WT2 H ATOM 27825 H2 TIP3 932 23.112 5.232 14.298 1.00 0.00 WT2 H ATOM 27826 OH2 TIP3 942 -4.468 -1.444 -1.370 1.00 0.00 WT2 O ATOM 27827 H1 TIP3 942 -5.472 -7.858 -21.053 1.00 0.00 WT2 H ATOM 27828 H2 TIP3 942 -0.147 -19.295 -10.165 1.00 0.00 WT2 H ATOM 27829 OH2 TIP3 947 4.441 -2.038 -7.452 1.00 0.00 WT2 O ATOM 27830 H1 TIP3 947 0.264 -29.038 -8.157 1.00 0.00 WT2 H ATOM 27831 H2 TIP3 947 15.259 -8.763 0.750 1.00 0.00 WT2 H ATOM 27832 OH2 TIP3 948 4.024 -6.301 -2.252 1.00 0.00 WT2 O ATOM 27833 H1 TIP3 948 8.631 2.018 32.364 1.00 0.00 WT2 H ATOM 27834 H2 TIP3 948 3.356 -5.421 -3.291 1.00 0.00 WT2 H ATOM 27835 OH2 TIP3 950 -7.239 -4.987 -0.892 1.00 0.00 WT2 O ATOM 27836 H1 TIP3 950 -8.816 16.547 15.014 1.00 0.00 WT2 H ATOM 27837 H2 TIP3 950 19.662 9.558 -6.783 1.00 0.00 WT2 H ATOM 27838 OH2 TIP3 951 3.854 3.964 -3.380 1.00 0.00 WT2 O ATOM 27839 H1 TIP3 951 23.934 -7.260 3.403 1.00 0.00 WT2 H ATOM 27840 H2 TIP3 951 7.077 8.665 -16.463 1.00 0.00 WT2 H ATOM 27841 OH2 TIP3 952 3.245 0.015 5.625 1.00 0.00 WT2 O ATOM 27842 H1 TIP3 952 -20.470 21.184 -0.216 1.00 0.00 WT2 H ATOM 27843 H2 TIP3 952 7.241 3.273 6.126 1.00 0.00 WT2 H ATOM 27844 OH2 TIP3 953 -3.180 0.197 4.969 1.00 0.00 WT2 O ATOM 27845 H1 TIP3 953 -1.071 7.249 -2.186 1.00 0.00 WT2 H ATOM 27846 H2 TIP3 953 -4.005 -4.569 -9.096 1.00 0.00 WT2 H ATOM 27847 OH2 TIP3 956 -6.026 4.734 1.692 1.00 0.00 WT2 O ATOM 27848 H1 TIP3 956 -9.414 12.262 3.350 1.00 0.00 WT2 H ATOM 27849 H2 TIP3 956 12.138 16.535 -20.520 1.00 0.00 WT2 H ATOM 27850 OH2 TIP3 964 -4.192 6.043 0.717 1.00 0.00 WT2 O ATOM 27851 H1 TIP3 964 -1.153 20.477 15.174 1.00 0.00 WT2 H ATOM 27852 H2 TIP3 964 5.360 -19.146 -7.538 1.00 0.00 WT2 H ATOM 27853 OH2 TIP3 968 -2.368 -4.376 0.046 1.00 0.00 WT2 O ATOM 27854 H1 TIP3 968 -4.935 -6.871 -0.335 1.00 0.00 WT2 H ATOM 27855 H2 TIP3 968 -1.057 -3.449 -3.592 1.00 0.00 WT2 H ATOM 27856 OH2 TIP3 969 5.682 6.364 -4.867 1.00 0.00 WT2 O ATOM 27857 H1 TIP3 969 6.783 -2.504 -2.937 1.00 0.00 WT2 H ATOM 27858 H2 TIP3 969 15.772 10.226 7.489 1.00 0.00 WT2 H ATOM 27859 OH2 TIP3 970 6.696 -2.054 -5.377 1.00 0.00 WT2 O ATOM 27860 H1 TIP3 970 30.445 11.501 -5.029 1.00 0.00 WT2 H ATOM 27861 H2 TIP3 970 4.252 1.009 -0.417 1.00 0.00 WT2 H ATOM 27862 OH2 TIP3 972 1.411 -0.506 0.179 1.00 0.00 WT2 O ATOM 27863 H1 TIP3 972 4.245 -19.246 9.753 1.00 0.00 WT2 H ATOM 27864 H2 TIP3 972 -8.211 -8.080 -17.378 1.00 0.00 WT2 H ATOM 27865 OH2 TIP3 974 -0.298 -3.662 0.795 1.00 0.00 WT2 O ATOM 27866 H1 TIP3 974 0.880 1.128 20.014 1.00 0.00 WT2 H ATOM 27867 H2 TIP3 974 11.815 11.261 -11.040 1.00 0.00 WT2 H ATOM 27868 OH2 TIP3 985 -6.684 -4.511 1.080 1.00 0.00 WT2 O ATOM 27869 H1 TIP3 985 9.299 -7.670 -15.684 1.00 0.00 WT2 H ATOM 27870 H2 TIP3 985 2.019 -8.826 9.609 1.00 0.00 WT2 H ATOM 27871 OH2 TIP3 987 2.709 -3.019 -1.214 1.00 0.00 WT2 O ATOM 27872 H1 TIP3 987 -6.284 -22.635 17.566 1.00 0.00 WT2 H ATOM 27873 H2 TIP3 987 1.723 1.357 -7.821 1.00 0.00 WT2 H ATOM 27874 OH2 TIP3 988 4.183 2.453 6.422 1.00 0.00 WT2 O ATOM 27875 H1 TIP3 988 39.983 -29.469 -20.150 1.00 0.00 WT2 H ATOM 27876 H2 TIP3 988 3.842 7.543 2.615 1.00 0.00 WT2 H ATOM 27877 OH2 TIP3 989 9.692 -2.017 1.066 1.00 0.00 WT2 O ATOM 27878 H1 TIP3 989 2.124 15.302 14.400 1.00 0.00 WT2 H ATOM 27879 H2 TIP3 989 21.617 -27.662 -14.402 1.00 0.00 WT2 H ATOM 27880 OH2 TIP3 990 -2.678 2.393 7.321 1.00 0.00 WT2 O ATOM 27881 H1 TIP3 990 -1.214 20.529 1.341 1.00 0.00 WT2 H ATOM 27882 H2 TIP3 990 -20.883 13.307 -10.149 1.00 0.00 WT2 H ATOM 27883 OH2 TIP3 991 -6.922 3.045 -4.439 1.00 0.00 WT2 O ATOM 27884 H1 TIP3 991 -16.395 0.639 -3.151 1.00 0.00 WT2 H ATOM 27885 H2 TIP3 991 12.622 12.910 -6.607 1.00 0.00 WT2 H ATOM 27886 OH2 TIP3 992 -3.851 1.448 2.549 1.00 0.00 WT2 O ATOM 27887 H1 TIP3 992 7.363 -10.769 12.463 1.00 0.00 WT2 H ATOM 27888 H2 TIP3 992 -14.137 2.911 6.248 1.00 0.00 WT2 H ATOM 27889 OH2 TIP3 995 1.443 -6.857 -3.696 1.00 0.00 WT2 O ATOM 27890 H1 TIP3 995 24.052 -13.172 -18.455 1.00 0.00 WT2 H ATOM 27891 H2 TIP3 995 6.702 -11.279 1.075 1.00 0.00 WT2 H ATOM 27892 OH2 TIP3 1007 5.397 -6.765 -1.323 1.00 0.00 WT2 O ATOM 27893 H1 TIP3 1007 10.990 -10.012 -16.864 1.00 0.00 WT2 H ATOM 27894 H2 TIP3 1007 -20.116 -24.785 -14.555 1.00 0.00 WT2 H ATOM 27895 OH2 TIP3 1010 -5.055 -5.068 -5.356 1.00 0.00 WT2 O ATOM 27896 H1 TIP3 1010 5.970 -4.217 -0.773 1.00 0.00 WT2 H ATOM 27897 H2 TIP3 1010 22.218 8.381 7.174 1.00 0.00 WT2 H ATOM 27898 OH2 TIP3 1011 3.201 -1.859 5.188 1.00 0.00 WT2 O ATOM 27899 H1 TIP3 1011 11.617 -9.074 -1.744 1.00 0.00 WT2 H ATOM 27900 H2 TIP3 1011 10.789 -2.911 10.065 1.00 0.00 WT2 H ATOM 27901 OH2 TIP3 1013 6.683 3.183 -1.081 1.00 0.00 WT2 O ATOM 27902 H1 TIP3 1013 8.385 -2.803 7.036 1.00 0.00 WT2 H ATOM 27903 H2 TIP3 1013 9.757 0.405 3.491 1.00 0.00 WT2 H ATOM 27904 OH2 TIP3 1014 2.878 3.162 1.669 1.00 0.00 WT2 O ATOM 27905 H1 TIP3 1014 -3.255 -2.511 -4.340 1.00 0.00 WT2 H ATOM 27906 H2 TIP3 1014 9.291 -1.483 10.674 1.00 0.00 WT2 H ATOM 27907 OH2 TIP3 1017 -0.322 1.571 -4.883 1.00 0.00 WT2 O ATOM 27908 H1 TIP3 1017 11.526 19.131 -3.863 1.00 0.00 WT2 H ATOM 27909 H2 TIP3 1017 -12.815 18.595 1.536 1.00 0.00 WT2 H ATOM 27910 OH2 TIP3 1018 7.010 -4.333 -0.522 1.00 0.00 WT2 O ATOM 27911 H1 TIP3 1018 2.962 -10.976 0.372 1.00 0.00 WT2 H ATOM 27912 H2 TIP3 1018 7.487 -1.330 7.497 1.00 0.00 WT2 H ATOM 27913 OH2 TIP3 1027 1.781 3.836 2.401 1.00 0.00 WT2 O ATOM 27914 H1 TIP3 1027 14.071 10.216 -13.156 1.00 0.00 WT2 H ATOM 27915 H2 TIP3 1027 -17.828 -6.142 -7.050 1.00 0.00 WT2 H ATOM 27916 OH2 TIP3 1032 -0.271 -7.621 -3.025 1.00 0.00 WT2 O ATOM 27917 H1 TIP3 1032 4.804 6.937 10.200 1.00 0.00 WT2 H ATOM 27918 H2 TIP3 1032 -4.398 -8.394 -1.662 1.00 0.00 WT2 H ATOM 27919 OH2 TIP3 1033 1.407 -1.760 -5.496 1.00 0.00 WT2 O ATOM 27920 H1 TIP3 1033 3.643 -4.621 -3.643 1.00 0.00 WT2 H ATOM 27921 H2 TIP3 1033 4.965 4.577 1.990 1.00 0.00 WT2 H ATOM 27922 OH2 TIP3 1040 0.386 7.519 -2.578 1.00 0.00 WT2 O ATOM 27923 H1 TIP3 1040 -7.198 -6.356 0.844 1.00 0.00 WT2 H ATOM 27924 H2 TIP3 1040 11.056 3.490 -3.126 1.00 0.00 WT2 H ATOM 27925 OH2 TIP3 1051 -2.336 -1.714 5.957 1.00 0.00 WT2 O ATOM 27926 H1 TIP3 1051 -5.656 -31.287 14.696 1.00 0.00 WT2 H ATOM 27927 H2 TIP3 1051 -10.246 -0.540 -24.030 1.00 0.00 WT2 H ATOM 27928 OH2 TIP3 1053 1.171 -5.028 5.193 1.00 0.00 WT2 O ATOM 27929 H1 TIP3 1053 -6.973 -3.921 6.311 1.00 0.00 WT2 H ATOM 27930 H2 TIP3 1053 2.975 -6.546 -7.306 1.00 0.00 WT2 H ATOM 27931 OH2 TIP3 1054 -3.647 1.019 5.092 1.00 0.00 WT2 O ATOM 27932 H1 TIP3 1054 -5.315 3.316 8.851 1.00 0.00 WT2 H ATOM 27933 H2 TIP3 1054 -2.986 2.795 -4.361 1.00 0.00 WT2 H ATOM 27934 OH2 TIP3 1055 -4.648 0.136 -6.691 1.00 0.00 WT2 O ATOM 27935 H1 TIP3 1055 -5.434 -8.783 26.478 1.00 0.00 WT2 H ATOM 27936 H2 TIP3 1055 -34.660 8.109 24.451 1.00 0.00 WT2 H ATOM 27937 OH2 TIP3 1058 -1.992 -1.392 -1.816 1.00 0.00 WT2 O ATOM 27938 H1 TIP3 1058 -4.155 0.286 4.319 1.00 0.00 WT2 H ATOM 27939 H2 TIP3 1058 -1.929 3.039 3.961 1.00 0.00 WT2 H ATOM 27940 OH2 TIP3 1059 4.314 -0.340 3.837 1.00 0.00 WT2 O ATOM 27941 H1 TIP3 1059 -4.587 -10.725 -17.990 1.00 0.00 WT2 H ATOM 27942 H2 TIP3 1059 3.167 -21.872 -1.285 1.00 0.00 WT2 H ATOM 27943 OH2 TIP3 1072 -0.116 -0.273 4.452 1.00 0.00 WT2 O ATOM 27944 H1 TIP3 1072 -9.569 10.133 -28.379 1.00 0.00 WT2 H ATOM 27945 H2 TIP3 1072 -0.184 15.967 2.373 1.00 0.00 WT2 H ATOM 27946 OH2 TIP3 1075 -1.312 1.310 -8.635 1.00 0.00 WT2 O ATOM 27947 H1 TIP3 1075 2.573 4.573 -3.068 1.00 0.00 WT2 H ATOM 27948 H2 TIP3 1075 -9.741 1.052 -4.761 1.00 0.00 WT2 H ATOM 27949 OH2 TIP3 1076 3.987 7.827 -5.216 1.00 0.00 WT2 O ATOM 27950 H1 TIP3 1076 13.730 -9.312 -25.280 1.00 0.00 WT2 H ATOM 27951 H2 TIP3 1076 16.439 -1.536 -0.170 1.00 0.00 WT2 H ATOM 27952 OH2 TIP3 1077 8.813 -6.458 -3.010 1.00 0.00 WT2 O ATOM 27953 H1 TIP3 1077 -1.006 1.060 2.496 1.00 0.00 WT2 H ATOM 27954 H2 TIP3 1077 -14.792 -5.956 6.700 1.00 0.00 WT2 H ATOM 27955 OH2 TIP3 1092 2.135 -5.027 -0.444 1.00 0.00 WT2 O ATOM 27956 H1 TIP3 1092 -1.465 -14.100 12.089 1.00 0.00 WT2 H ATOM 27957 H2 TIP3 1092 13.338 -12.268 -5.728 1.00 0.00 WT2 H ATOM 27958 OH2 TIP3 1094 -0.007 2.978 0.155 1.00 0.00 WT2 O ATOM 27959 H1 TIP3 1094 3.665 9.805 8.126 1.00 0.00 WT2 H ATOM 27960 H2 TIP3 1094 4.997 21.956 2.074 1.00 0.00 WT2 H ATOM 27961 OH2 TIP3 1096 -0.785 0.439 -0.883 1.00 0.00 WT2 O ATOM 27962 H1 TIP3 1096 0.002 -8.867 3.448 1.00 0.00 WT2 H ATOM 27963 H2 TIP3 1096 -3.374 20.835 -12.713 1.00 0.00 WT2 H ATOM 27964 OH2 TIP3 1101 0.955 4.919 -0.044 1.00 0.00 WT2 O ATOM 27965 H1 TIP3 1101 0.468 20.022 -3.552 1.00 0.00 WT2 H ATOM 27966 H2 TIP3 1101 -3.170 -6.203 -3.114 1.00 0.00 WT2 H ATOM 27967 OH2 TIP3 1112 -0.014 9.188 1.015 1.00 0.00 WT2 O ATOM 27968 H1 TIP3 1112 0.077 9.363 -12.379 1.00 0.00 WT2 H ATOM 27969 H2 TIP3 1112 4.623 4.342 5.735 1.00 0.00 WT2 H ATOM 27970 OH2 TIP3 1113 0.649 2.365 0.978 1.00 0.00 WT2 O ATOM 27971 H1 TIP3 1113 -11.062 4.753 -3.517 1.00 0.00 WT2 H ATOM 27972 H2 TIP3 1113 -4.299 3.623 13.156 1.00 0.00 WT2 H ATOM 27973 OH2 TIP3 1115 2.318 -4.981 -0.776 1.00 0.00 WT2 O ATOM 27974 H1 TIP3 1115 -0.396 1.995 -19.748 1.00 0.00 WT2 H ATOM 27975 H2 TIP3 1115 -2.949 -7.988 8.243 1.00 0.00 WT2 H ATOM 27976 OH2 TIP3 1117 -2.311 1.678 2.302 1.00 0.00 WT2 O ATOM 27977 H1 TIP3 1117 -12.724 18.630 30.986 1.00 0.00 WT2 H ATOM 27978 H2 TIP3 1117 3.288 2.320 -11.471 1.00 0.00 WT2 H ATOM 27979 OH2 TIP3 1119 -1.685 3.491 -1.489 1.00 0.00 WT2 O ATOM 27980 H1 TIP3 1119 -15.441 0.042 0.493 1.00 0.00 WT2 H ATOM 27981 H2 TIP3 1119 -1.735 -4.986 -18.313 1.00 0.00 WT2 H ATOM 27982 OH2 TIP3 1122 -5.231 4.756 1.857 1.00 0.00 WT2 O ATOM 27983 H1 TIP3 1122 -21.760 8.188 -0.482 1.00 0.00 WT2 H ATOM 27984 H2 TIP3 1122 -0.518 -8.077 -8.256 1.00 0.00 WT2 H ATOM 27985 OH2 TIP3 1134 1.027 -0.762 -0.387 1.00 0.00 WT2 O ATOM 27986 H1 TIP3 1134 7.183 4.459 3.698 1.00 0.00 WT2 H ATOM 27987 H2 TIP3 1134 -6.607 -9.529 -5.782 1.00 0.00 WT2 H ATOM 27988 OH2 TIP3 1135 -2.773 -3.897 2.089 1.00 0.00 WT2 O ATOM 27989 H1 TIP3 1135 10.009 4.991 33.260 1.00 0.00 WT2 H ATOM 27990 H2 TIP3 1135 -15.337 -20.461 -18.327 1.00 0.00 WT2 H ATOM 27991 OH2 TIP3 1137 -6.517 0.225 -2.072 1.00 0.00 WT2 O ATOM 27992 H1 TIP3 1137 -4.997 -0.395 -3.440 1.00 0.00 WT2 H ATOM 27993 H2 TIP3 1137 -4.391 0.922 -6.215 1.00 0.00 WT2 H ATOM 27994 OH2 TIP3 1139 1.021 1.164 3.581 1.00 0.00 WT2 O ATOM 27995 H1 TIP3 1139 2.064 6.654 16.881 1.00 0.00 WT2 H ATOM 27996 H2 TIP3 1139 -7.977 3.413 -5.101 1.00 0.00 WT2 H ATOM 27997 OH2 TIP3 1140 -3.551 5.324 -1.613 1.00 0.00 WT2 O ATOM 27998 H1 TIP3 1140 -5.688 8.107 -2.883 1.00 0.00 WT2 H ATOM 27999 H2 TIP3 1140 -4.469 2.825 -6.969 1.00 0.00 WT2 H ATOM 28000 OH2 TIP3 1155 -10.010 8.829 0.078 1.00 0.00 WT2 O ATOM 28001 H1 TIP3 1155 -21.452 -1.297 17.546 1.00 0.00 WT2 H ATOM 28002 H2 TIP3 1155 -6.838 10.133 -3.016 1.00 0.00 WT2 H ATOM 28003 OH2 TIP3 1157 0.868 -5.073 -1.419 1.00 0.00 WT2 O ATOM 28004 H1 TIP3 1157 17.292 10.189 8.073 1.00 0.00 WT2 H ATOM 28005 H2 TIP3 1157 -11.879 -16.086 -7.556 1.00 0.00 WT2 H ATOM 28006 OH2 TIP3 1158 1.423 4.144 -5.343 1.00 0.00 WT2 O ATOM 28007 H1 TIP3 1158 4.263 1.732 -6.082 1.00 0.00 WT2 H ATOM 28008 H2 TIP3 1158 6.613 5.424 -13.099 1.00 0.00 WT2 H ATOM 28009 OH2 TIP3 1159 1.963 0.739 -4.478 1.00 0.00 WT2 O ATOM 28010 H1 TIP3 1159 15.260 -7.710 -5.341 1.00 0.00 WT2 H ATOM 28011 H2 TIP3 1159 -0.630 6.739 -18.643 1.00 0.00 WT2 H ATOM 28012 OH2 TIP3 1160 0.848 1.802 0.115 1.00 0.00 WT2 O ATOM 28013 H1 TIP3 1160 5.932 -28.144 12.560 1.00 0.00 WT2 H ATOM 28014 H2 TIP3 1160 7.255 -9.755 10.805 1.00 0.00 WT2 H ATOM 28015 OH2 TIP3 1162 6.366 -1.804 2.125 1.00 0.00 WT2 O ATOM 28016 H1 TIP3 1162 -0.379 7.254 -4.147 1.00 0.00 WT2 H ATOM 28017 H2 TIP3 1162 8.336 2.381 13.259 1.00 0.00 WT2 H ATOM 28018 OH2 TIP3 1163 -0.129 -1.287 -1.437 1.00 0.00 WT2 O ATOM 28019 H1 TIP3 1163 -4.628 1.889 -20.332 1.00 0.00 WT2 H ATOM 28020 H2 TIP3 1163 2.571 -2.015 8.418 1.00 0.00 WT2 H ATOM 28021 OH2 TIP3 1177 0.859 -3.757 0.700 1.00 0.00 WT2 O ATOM 28022 H1 TIP3 1177 -9.218 -9.002 7.551 1.00 0.00 WT2 H ATOM 28023 H2 TIP3 1177 -3.733 -6.470 -7.870 1.00 0.00 WT2 H ATOM 28024 OH2 TIP3 1178 -3.619 8.426 0.717 1.00 0.00 WT2 O ATOM 28025 H1 TIP3 1178 15.612 -1.340 -1.131 1.00 0.00 WT2 H ATOM 28026 H2 TIP3 1178 -30.677 -21.665 -0.861 1.00 0.00 WT2 H ATOM 28027 OH2 TIP3 1179 -8.528 2.513 2.332 1.00 0.00 WT2 O ATOM 28028 H1 TIP3 1179 -8.296 1.746 15.706 1.00 0.00 WT2 H ATOM 28029 H2 TIP3 1179 -14.849 1.594 7.735 1.00 0.00 WT2 H ATOM 28030 OH2 TIP3 1180 -6.484 -7.276 -1.332 1.00 0.00 WT2 O ATOM 28031 H1 TIP3 1180 -10.963 -7.399 -3.117 1.00 0.00 WT2 H ATOM 28032 H2 TIP3 1180 -4.553 -15.342 16.051 1.00 0.00 WT2 H ATOM 28033 OH2 TIP3 1181 -4.043 -0.006 -6.096 1.00 0.00 WT2 O ATOM 28034 H1 TIP3 1181 0.783 -11.668 -5.204 1.00 0.00 WT2 H ATOM 28035 H2 TIP3 1181 -0.901 -0.257 1.288 1.00 0.00 WT2 H ATOM 28036 OH2 TIP3 1183 5.218 1.423 -4.479 1.00 0.00 WT2 O ATOM 28037 H1 TIP3 1183 15.255 5.024 7.585 1.00 0.00 WT2 H ATOM 28038 H2 TIP3 1183 1.633 -6.048 15.326 1.00 0.00 WT2 H ATOM 28039 OH2 TIP3 1185 -3.238 -5.372 0.480 1.00 0.00 WT2 O ATOM 28040 H1 TIP3 1185 13.041 0.454 5.827 1.00 0.00 WT2 H ATOM 28041 H2 TIP3 1185 -7.892 -3.020 5.160 1.00 0.00 WT2 H ATOM 28042 OH2 TIP3 1197 -0.708 7.458 -4.339 1.00 0.00 WT2 O ATOM 28043 H1 TIP3 1197 -17.729 -11.547 -9.021 1.00 0.00 WT2 H ATOM 28044 H2 TIP3 1197 8.112 16.097 -12.563 1.00 0.00 WT2 H ATOM 28045 OH2 TIP3 1200 -1.061 2.027 3.787 1.00 0.00 WT2 O ATOM 28046 H1 TIP3 1200 13.332 2.650 -4.215 1.00 0.00 WT2 H ATOM 28047 H2 TIP3 1200 19.127 -0.341 -16.765 1.00 0.00 WT2 H ATOM 28048 OH2 TIP3 1201 0.006 -2.426 2.895 1.00 0.00 WT2 O ATOM 28049 H1 TIP3 1201 8.166 19.261 3.095 1.00 0.00 WT2 H ATOM 28050 H2 TIP3 1201 -11.413 -4.676 22.565 1.00 0.00 WT2 H ATOM 28051 OH2 TIP3 1202 -1.545 0.226 -1.836 1.00 0.00 WT2 O ATOM 28052 H1 TIP3 1202 -2.044 3.696 -0.344 1.00 0.00 WT2 H ATOM 28053 H2 TIP3 1202 4.252 -13.912 -5.573 1.00 0.00 WT2 H ATOM 28054 OH2 TIP3 1203 -3.191 -4.969 5.611 1.00 0.00 WT2 O ATOM 28055 H1 TIP3 1203 -2.442 -3.949 6.802 1.00 0.00 WT2 H ATOM 28056 H2 TIP3 1203 8.799 -2.230 8.152 1.00 0.00 WT2 H ATOM 28057 OH2 TIP3 1205 -3.160 -3.124 -1.508 1.00 0.00 WT2 O ATOM 28058 H1 TIP3 1205 3.101 -6.586 -9.593 1.00 0.00 WT2 H ATOM 28059 H2 TIP3 1205 -15.410 14.503 13.009 1.00 0.00 WT2 H ATOM 28060 OH2 TIP3 1208 -2.739 -1.747 0.582 1.00 0.00 WT2 O ATOM 28061 H1 TIP3 1208 -9.347 -13.377 25.069 1.00 0.00 WT2 H ATOM 28062 H2 TIP3 1208 -1.543 -17.487 -7.824 1.00 0.00 WT2 H ATOM 28063 OH2 TIP3 1219 5.405 -4.183 -4.749 1.00 0.00 WT2 O ATOM 28064 H1 TIP3 1219 8.216 -7.346 9.571 1.00 0.00 WT2 H ATOM 28065 H2 TIP3 1219 -1.314 -6.327 -17.150 1.00 0.00 WT2 H ATOM 28066 OH2 TIP3 1220 5.370 -0.657 -1.378 1.00 0.00 WT2 O ATOM 28067 H1 TIP3 1220 1.824 2.392 -11.728 1.00 0.00 WT2 H ATOM 28068 H2 TIP3 1220 4.265 16.639 2.905 1.00 0.00 WT2 H ATOM 28069 OH2 TIP3 1222 -2.875 1.908 -3.836 1.00 0.00 WT2 O ATOM 28070 H1 TIP3 1222 2.228 -12.220 5.513 1.00 0.00 WT2 H ATOM 28071 H2 TIP3 1222 -1.391 -1.889 -3.296 1.00 0.00 WT2 H ATOM 28072 OH2 TIP3 1223 6.758 2.440 3.874 1.00 0.00 WT2 O ATOM 28073 H1 TIP3 1223 -8.355 -2.922 -15.051 1.00 0.00 WT2 H ATOM 28074 H2 TIP3 1223 14.262 5.702 10.525 1.00 0.00 WT2 H ATOM 28075 OH2 TIP3 1224 -1.079 -0.695 2.238 1.00 0.00 WT2 O ATOM 28076 H1 TIP3 1224 1.284 -3.513 -1.682 1.00 0.00 WT2 H ATOM 28077 H2 TIP3 1224 -7.830 6.630 7.004 1.00 0.00 WT2 H ATOM 28078 OH2 TIP3 1225 0.421 -1.198 -0.799 1.00 0.00 WT2 O ATOM 28079 H1 TIP3 1225 9.808 20.064 -4.916 1.00 0.00 WT2 H ATOM 28080 H2 TIP3 1225 17.727 -16.979 3.030 1.00 0.00 WT2 H ATOM 28081 OH2 TIP3 1226 -1.871 0.294 -0.152 1.00 0.00 WT2 O ATOM 28082 H1 TIP3 1226 9.291 -2.001 12.376 1.00 0.00 WT2 H ATOM 28083 H2 TIP3 1226 16.801 -12.418 12.711 1.00 0.00 WT2 H ATOM 28084 OH2 TIP3 1227 -2.543 -1.456 -3.487 1.00 0.00 WT2 O ATOM 28085 H1 TIP3 1227 -0.121 4.010 7.164 1.00 0.00 WT2 H ATOM 28086 H2 TIP3 1227 -6.491 -0.930 6.041 1.00 0.00 WT2 H ATOM 28087 OH2 TIP3 1240 -4.028 -1.439 1.671 1.00 0.00 WT2 O ATOM 28088 H1 TIP3 1240 -6.547 -1.060 10.093 1.00 0.00 WT2 H ATOM 28089 H2 TIP3 1240 -8.380 23.321 4.878 1.00 0.00 WT2 H ATOM 28090 OH2 TIP3 1241 -2.200 3.409 -3.941 1.00 0.00 WT2 O ATOM 28091 H1 TIP3 1241 -3.924 -2.949 2.325 1.00 0.00 WT2 H ATOM 28092 H2 TIP3 1241 -4.887 24.618 -9.626 1.00 0.00 WT2 H ATOM 28093 OH2 TIP3 1242 -2.297 -1.916 0.051 1.00 0.00 WT2 O ATOM 28094 H1 TIP3 1242 3.004 2.190 -10.648 1.00 0.00 WT2 H ATOM 28095 H2 TIP3 1242 -1.079 -6.638 2.351 1.00 0.00 WT2 H ATOM 28096 OH2 TIP3 1243 -2.020 5.731 -1.296 1.00 0.00 WT2 O ATOM 28097 H1 TIP3 1243 -10.511 -1.067 -0.527 1.00 0.00 WT2 H ATOM 28098 H2 TIP3 1243 -7.144 9.572 -2.038 1.00 0.00 WT2 H ATOM 28099 OH2 TIP3 1244 1.419 -0.593 2.096 1.00 0.00 WT2 O ATOM 28100 H1 TIP3 1244 7.687 28.968 -15.345 1.00 0.00 WT2 H ATOM 28101 H2 TIP3 1244 6.621 4.202 -4.142 1.00 0.00 WT2 H ATOM 28102 OH2 TIP3 1247 -2.886 1.311 0.189 1.00 0.00 WT2 O ATOM 28103 H1 TIP3 1247 6.607 -9.753 14.027 1.00 0.00 WT2 H ATOM 28104 H2 TIP3 1247 -0.527 -18.847 3.488 1.00 0.00 WT2 H ATOM 28105 OH2 TIP3 1258 -1.602 1.847 4.916 1.00 0.00 WT2 O ATOM 28106 H1 TIP3 1258 34.661 23.906 -3.432 1.00 0.00 WT2 H ATOM 28107 H2 TIP3 1258 19.438 14.662 -0.127 1.00 0.00 WT2 H ATOM 28108 OH2 TIP3 1263 4.354 2.661 4.843 1.00 0.00 WT2 O ATOM 28109 H1 TIP3 1263 -9.959 0.425 -17.714 1.00 0.00 WT2 H ATOM 28110 H2 TIP3 1263 -15.281 29.261 4.845 1.00 0.00 WT2 H ATOM 28111 OH2 TIP3 1265 -4.906 1.768 3.215 1.00 0.00 WT2 O ATOM 28112 H1 TIP3 1265 -12.326 16.235 -12.683 1.00 0.00 WT2 H ATOM 28113 H2 TIP3 1265 4.703 -8.782 -3.042 1.00 0.00 WT2 H ATOM 28114 OH2 TIP3 1266 -0.747 -4.861 -3.975 1.00 0.00 WT2 O ATOM 28115 H1 TIP3 1266 1.193 -4.866 -10.120 1.00 0.00 WT2 H ATOM 28116 H2 TIP3 1266 -4.583 10.157 1.342 1.00 0.00 WT2 H ATOM 28117 OH2 TIP3 1267 -1.352 -2.732 2.293 1.00 0.00 WT2 O ATOM 28118 H1 TIP3 1267 8.655 -9.990 -0.934 1.00 0.00 WT2 H ATOM 28119 H2 TIP3 1267 -2.412 7.122 6.692 1.00 0.00 WT2 H ATOM 28120 OH2 TIP3 1268 2.677 -4.242 1.141 1.00 0.00 WT2 O ATOM 28121 H1 TIP3 1268 16.014 17.179 0.223 1.00 0.00 WT2 H ATOM 28122 H2 TIP3 1268 -16.499 12.338 -10.404 1.00 0.00 WT2 H ATOM 28123 OH2 TIP3 1271 0.535 -1.710 -6.214 1.00 0.00 WT2 O ATOM 28124 H1 TIP3 1271 -9.541 6.186 23.246 1.00 0.00 WT2 H ATOM 28125 H2 TIP3 1271 -3.816 -16.805 4.294 1.00 0.00 WT2 H ATOM 28126 OH2 TIP3 1281 -4.074 -0.914 2.354 1.00 0.00 WT2 O ATOM 28127 H1 TIP3 1281 -13.376 10.517 -22.345 1.00 0.00 WT2 H ATOM 28128 H2 TIP3 1281 0.066 -9.839 29.487 1.00 0.00 WT2 H ATOM 28129 OH2 TIP3 1283 0.455 1.433 6.756 1.00 0.00 WT2 O ATOM 28130 H1 TIP3 1283 -10.532 8.395 8.865 1.00 0.00 WT2 H ATOM 28131 H2 TIP3 1283 12.153 -4.638 5.060 1.00 0.00 WT2 H ATOM 28132 OH2 TIP3 1284 1.826 0.019 -5.006 1.00 0.00 WT2 O ATOM 28133 H1 TIP3 1284 -6.074 -10.026 -27.619 1.00 0.00 WT2 H ATOM 28134 H2 TIP3 1284 -14.291 -7.372 -2.342 1.00 0.00 WT2 H ATOM 28135 OH2 TIP3 1285 -4.823 2.154 -1.047 1.00 0.00 WT2 O ATOM 28136 H1 TIP3 1285 -5.058 5.273 -2.026 1.00 0.00 WT2 H ATOM 28137 H2 TIP3 1285 -7.890 -10.764 0.659 1.00 0.00 WT2 H ATOM 28138 OH2 TIP3 1286 -2.023 5.459 -3.372 1.00 0.00 WT2 O ATOM 28139 H1 TIP3 1286 24.559 8.137 13.108 1.00 0.00 WT2 H ATOM 28140 H2 TIP3 1286 21.474 16.549 -5.055 1.00 0.00 WT2 H ATOM 28141 OH2 TIP3 1301 -0.698 9.327 -2.525 1.00 0.00 WT2 O ATOM 28142 H1 TIP3 1301 10.642 1.434 9.397 1.00 0.00 WT2 H ATOM 28143 H2 TIP3 1301 0.238 3.354 -10.086 1.00 0.00 WT2 H ATOM 28144 OH2 TIP3 1303 -2.475 -0.879 -5.608 1.00 0.00 WT2 O ATOM 28145 H1 TIP3 1303 -2.309 30.460 -9.655 1.00 0.00 WT2 H ATOM 28146 H2 TIP3 1303 -8.747 -8.340 -17.570 1.00 0.00 WT2 H ATOM 28147 OH2 TIP3 1304 -0.225 -0.299 -1.274 1.00 0.00 WT2 O ATOM 28148 H1 TIP3 1304 -4.509 0.408 3.223 1.00 0.00 WT2 H ATOM 28149 H2 TIP3 1304 7.577 -0.106 -8.456 1.00 0.00 WT2 H ATOM 28150 OH2 TIP3 1305 -0.805 -12.614 2.306 1.00 0.00 WT2 O ATOM 28151 H1 TIP3 1305 11.866 -18.543 8.219 1.00 0.00 WT2 H ATOM 28152 H2 TIP3 1305 0.380 -10.605 8.608 1.00 0.00 WT2 H ATOM 28153 OH2 TIP3 1306 1.906 5.688 0.263 1.00 0.00 WT2 O ATOM 28154 H1 TIP3 1306 -2.906 0.796 12.426 1.00 0.00 WT2 H ATOM 28155 H2 TIP3 1306 -7.978 15.596 -6.937 1.00 0.00 WT2 H ATOM 28156 OH2 TIP3 1307 -0.349 1.873 -6.150 1.00 0.00 WT2 O ATOM 28157 H1 TIP3 1307 5.518 -0.780 -3.730 1.00 0.00 WT2 H ATOM 28158 H2 TIP3 1307 0.960 4.305 -3.775 1.00 0.00 WT2 H ATOM 28159 OH2 TIP3 1308 3.125 1.505 4.281 1.00 0.00 WT2 O ATOM 28160 H1 TIP3 1308 10.424 14.946 0.309 1.00 0.00 WT2 H ATOM 28161 H2 TIP3 1308 -1.965 -3.492 7.614 1.00 0.00 WT2 H ATOM 28162 OH2 TIP3 1322 -0.747 -4.257 4.536 1.00 0.00 WT2 O ATOM 28163 H1 TIP3 1322 -6.529 -8.211 11.423 1.00 0.00 WT2 H ATOM 28164 H2 TIP3 1322 8.716 -0.232 -0.281 1.00 0.00 WT2 H ATOM 28165 OH2 TIP3 1324 2.237 -2.760 4.977 1.00 0.00 WT2 O ATOM 28166 H1 TIP3 1324 14.199 3.121 -10.096 1.00 0.00 WT2 H ATOM 28167 H2 TIP3 1324 -7.752 -4.678 -36.072 1.00 0.00 WT2 H ATOM 28168 OH2 TIP3 1326 4.391 -1.750 -1.770 1.00 0.00 WT2 O ATOM 28169 H1 TIP3 1326 7.553 -1.331 16.798 1.00 0.00 WT2 H ATOM 28170 H2 TIP3 1326 4.156 -1.493 1.382 1.00 0.00 WT2 H ATOM 28171 OH2 TIP3 1327 -1.466 3.117 -7.846 1.00 0.00 WT2 O ATOM 28172 H1 TIP3 1327 1.459 14.842 0.757 1.00 0.00 WT2 H ATOM 28173 H2 TIP3 1327 10.566 -7.951 -21.436 1.00 0.00 WT2 H ATOM 28174 OH2 TIP3 1328 -7.527 2.953 -3.118 1.00 0.00 WT2 O ATOM 28175 H1 TIP3 1328 12.054 1.513 14.601 1.00 0.00 WT2 H ATOM 28176 H2 TIP3 1328 -10.844 -1.958 1.706 1.00 0.00 WT2 H ATOM 28177 OH2 TIP3 1329 2.021 1.781 2.446 1.00 0.00 WT2 O ATOM 28178 H1 TIP3 1329 9.423 -7.935 7.018 1.00 0.00 WT2 H ATOM 28179 H2 TIP3 1329 -5.747 -7.904 11.312 1.00 0.00 WT2 H ATOM 28180 OH2 TIP3 1330 -1.602 1.039 -1.225 1.00 0.00 WT2 O ATOM 28181 H1 TIP3 1330 3.816 -3.939 8.216 1.00 0.00 WT2 H ATOM 28182 H2 TIP3 1330 -11.847 -2.682 6.685 1.00 0.00 WT2 H ATOM 28183 OH2 TIP3 1333 -5.665 -2.943 -4.573 1.00 0.00 WT2 O ATOM 28184 H1 TIP3 1333 -0.990 6.909 1.780 1.00 0.00 WT2 H ATOM 28185 H2 TIP3 1333 -3.258 -3.001 -11.775 1.00 0.00 WT2 H ATOM 28186 OH2 TIP3 1344 -2.046 -0.795 -3.072 1.00 0.00 WT2 O ATOM 28187 H1 TIP3 1344 7.691 11.652 -2.494 1.00 0.00 WT2 H ATOM 28188 H2 TIP3 1344 -13.464 2.677 9.432 1.00 0.00 WT2 H ATOM 28189 OH2 TIP3 1345 9.142 0.853 2.691 1.00 0.00 WT2 O ATOM 28190 H1 TIP3 1345 -14.241 -13.478 12.704 1.00 0.00 WT2 H ATOM 28191 H2 TIP3 1345 -0.273 10.565 -1.996 1.00 0.00 WT2 H ATOM 28192 OH2 TIP3 1346 4.378 2.059 0.787 1.00 0.00 WT2 O ATOM 28193 H1 TIP3 1346 -6.596 5.206 13.029 1.00 0.00 WT2 H ATOM 28194 H2 TIP3 1346 -2.909 4.400 17.411 1.00 0.00 WT2 H ATOM 28195 OH2 TIP3 1347 -1.057 0.016 2.037 1.00 0.00 WT2 O ATOM 28196 H1 TIP3 1347 6.101 -7.550 3.546 1.00 0.00 WT2 H ATOM 28197 H2 TIP3 1347 -1.787 -3.767 -3.342 1.00 0.00 WT2 H ATOM 28198 OH2 TIP3 1349 4.492 0.169 -0.518 1.00 0.00 WT2 O ATOM 28199 H1 TIP3 1349 21.875 -1.177 -2.728 1.00 0.00 WT2 H ATOM 28200 H2 TIP3 1349 -4.424 1.820 9.828 1.00 0.00 WT2 H ATOM 28201 OH2 TIP3 1350 -4.400 -3.248 -3.779 1.00 0.00 WT2 O ATOM 28202 H1 TIP3 1350 -11.903 5.709 10.136 1.00 0.00 WT2 H ATOM 28203 H2 TIP3 1350 21.053 -13.326 -9.976 1.00 0.00 WT2 H ATOM 28204 OH2 TIP3 1351 2.727 2.782 -2.539 1.00 0.00 WT2 O ATOM 28205 H1 TIP3 1351 50.619 -9.362 -10.111 1.00 0.00 WT2 H ATOM 28206 H2 TIP3 1351 9.544 0.962 -11.400 1.00 0.00 WT2 H ATOM 28207 OH2 TIP3 1352 1.109 0.011 5.343 1.00 0.00 WT2 O ATOM 28208 H1 TIP3 1352 -13.887 3.390 -6.647 1.00 0.00 WT2 H ATOM 28209 H2 TIP3 1352 15.862 16.305 0.804 1.00 0.00 WT2 H ATOM 28210 OH2 TIP3 1353 0.751 -4.810 -1.627 1.00 0.00 WT2 O ATOM 28211 H1 TIP3 1353 5.356 -4.257 12.684 1.00 0.00 WT2 H ATOM 28212 H2 TIP3 1353 -22.189 5.233 0.835 1.00 0.00 WT2 H ATOM 28213 OH2 TIP3 1354 -2.082 0.504 -0.533 1.00 0.00 WT2 O ATOM 28214 H1 TIP3 1354 10.725 5.376 11.875 1.00 0.00 WT2 H ATOM 28215 H2 TIP3 1354 16.117 4.753 -6.388 1.00 0.00 WT2 H ATOM 28216 OH2 TIP3 1367 -2.534 -6.476 2.980 1.00 0.00 WT2 O ATOM 28217 H1 TIP3 1367 11.458 -5.300 11.059 1.00 0.00 WT2 H ATOM 28218 H2 TIP3 1367 7.202 -11.904 14.618 1.00 0.00 WT2 H ATOM 28219 OH2 TIP3 1368 0.638 3.984 -6.060 1.00 0.00 WT2 O ATOM 28220 H1 TIP3 1368 5.263 2.443 -29.474 1.00 0.00 WT2 H ATOM 28221 H2 TIP3 1368 -11.250 19.253 6.942 1.00 0.00 WT2 H ATOM 28222 OH2 TIP3 1370 0.412 0.911 0.807 1.00 0.00 WT2 O ATOM 28223 H1 TIP3 1370 -6.679 -4.493 -15.277 1.00 0.00 WT2 H ATOM 28224 H2 TIP3 1370 -15.270 11.468 -18.214 1.00 0.00 WT2 H ATOM 28225 OH2 TIP3 1371 3.746 -8.219 -3.673 1.00 0.00 WT2 O ATOM 28226 H1 TIP3 1371 15.349 -2.027 4.329 1.00 0.00 WT2 H ATOM 28227 H2 TIP3 1371 -0.837 6.221 10.029 1.00 0.00 WT2 H ATOM 28228 OH2 TIP3 1373 -1.202 -2.192 2.134 1.00 0.00 WT2 O ATOM 28229 H1 TIP3 1373 13.848 2.445 13.317 1.00 0.00 WT2 H ATOM 28230 H2 TIP3 1373 10.850 -1.267 -19.087 1.00 0.00 WT2 H ATOM 28231 OH2 TIP3 1374 1.993 -2.172 -0.351 1.00 0.00 WT2 O ATOM 28232 H1 TIP3 1374 -12.461 -8.762 -3.294 1.00 0.00 WT2 H ATOM 28233 H2 TIP3 1374 3.102 18.808 12.198 1.00 0.00 WT2 H ATOM 28234 OH2 TIP3 1375 -2.391 1.840 -6.522 1.00 0.00 WT2 O ATOM 28235 H1 TIP3 1375 19.228 -3.926 -7.741 1.00 0.00 WT2 H ATOM 28236 H2 TIP3 1375 -2.917 34.367 11.452 1.00 0.00 WT2 H ATOM 28237 OH2 TIP3 1386 -2.734 -0.080 4.669 1.00 0.00 WT2 O ATOM 28238 H1 TIP3 1386 -1.231 -3.093 2.743 1.00 0.00 WT2 H ATOM 28239 H2 TIP3 1386 -16.217 3.377 9.701 1.00 0.00 WT2 H ATOM 28240 OH2 TIP3 1387 3.388 -3.416 -5.804 1.00 0.00 WT2 O ATOM 28241 H1 TIP3 1387 14.457 -5.559 -2.506 1.00 0.00 WT2 H ATOM 28242 H2 TIP3 1387 -5.662 16.425 5.608 1.00 0.00 WT2 H ATOM 28243 OH2 TIP3 1388 -0.994 0.958 5.734 1.00 0.00 WT2 O ATOM 28244 H1 TIP3 1388 3.403 12.743 0.189 1.00 0.00 WT2 H ATOM 28245 H2 TIP3 1388 13.659 -8.634 7.925 1.00 0.00 WT2 H ATOM 28246 OH2 TIP3 1389 1.902 2.827 4.559 1.00 0.00 WT2 O ATOM 28247 H1 TIP3 1389 -3.068 11.343 -2.731 1.00 0.00 WT2 H ATOM 28248 H2 TIP3 1389 -2.515 10.495 -5.824 1.00 0.00 WT2 H ATOM 28249 OH2 TIP3 1392 -0.406 -1.976 0.397 1.00 0.00 WT2 O ATOM 28250 H1 TIP3 1392 13.493 15.653 -8.085 1.00 0.00 WT2 H ATOM 28251 H2 TIP3 1392 -3.534 19.955 -3.842 1.00 0.00 WT2 H ATOM 28252 OH2 TIP3 1393 -3.068 0.709 -1.654 1.00 0.00 WT2 O ATOM 28253 H1 TIP3 1393 -6.294 -9.473 -10.597 1.00 0.00 WT2 H ATOM 28254 H2 TIP3 1393 -27.311 0.000 -5.085 1.00 0.00 WT2 H ATOM 28255 OH2 TIP3 1407 -5.032 -10.044 -2.415 1.00 0.00 WT2 O ATOM 28256 H1 TIP3 1407 2.348 11.598 3.328 1.00 0.00 WT2 H ATOM 28257 H2 TIP3 1407 2.036 7.702 -22.313 1.00 0.00 WT2 H ATOM 28258 OH2 TIP3 1408 -1.724 3.121 -4.284 1.00 0.00 WT2 O ATOM 28259 H1 TIP3 1408 28.194 -6.357 3.716 1.00 0.00 WT2 H ATOM 28260 H2 TIP3 1408 -12.775 -7.696 -5.200 1.00 0.00 WT2 H ATOM 28261 OH2 TIP3 1411 0.366 -0.996 -5.578 1.00 0.00 WT2 O ATOM 28262 H1 TIP3 1411 -3.833 5.776 0.736 1.00 0.00 WT2 H ATOM 28263 H2 TIP3 1411 -14.697 24.629 18.638 1.00 0.00 WT2 H ATOM 28264 OH2 TIP3 1412 1.775 1.940 -8.297 1.00 0.00 WT2 O ATOM 28265 H1 TIP3 1412 -2.830 4.538 1.373 1.00 0.00 WT2 H ATOM 28266 H2 TIP3 1412 -2.800 -11.574 -15.327 1.00 0.00 WT2 H ATOM 28267 OH2 TIP3 1413 4.816 -2.305 -0.211 1.00 0.00 WT2 O ATOM 28268 H1 TIP3 1413 22.620 -0.500 -2.020 1.00 0.00 WT2 H ATOM 28269 H2 TIP3 1413 10.993 1.574 -1.677 1.00 0.00 WT2 H ATOM 28270 OH2 TIP3 1414 0.488 0.550 0.495 1.00 0.00 WT2 O ATOM 28271 H1 TIP3 1414 -16.323 20.386 -19.432 1.00 0.00 WT2 H ATOM 28272 H2 TIP3 1414 0.698 -1.815 -0.252 1.00 0.00 WT2 H ATOM 28273 OH2 TIP3 1415 3.064 -0.550 1.845 1.00 0.00 WT2 O ATOM 28274 H1 TIP3 1415 -22.961 -15.298 -18.865 1.00 0.00 WT2 H ATOM 28275 H2 TIP3 1415 25.963 7.851 -0.470 1.00 0.00 WT2 H ATOM 28276 OH2 TIP3 1418 -6.167 13.049 -0.289 1.00 0.00 WT2 O ATOM 28277 H1 TIP3 1418 6.111 7.977 12.976 1.00 0.00 WT2 H ATOM 28278 H2 TIP3 1418 -14.225 -0.809 -5.752 1.00 0.00 WT2 H ATOM 28279 OH2 TIP3 1425 -4.604 -5.057 1.889 1.00 0.00 WT2 O ATOM 28280 H1 TIP3 1425 14.236 -3.317 -17.217 1.00 0.00 WT2 H ATOM 28281 H2 TIP3 1425 5.205 -13.884 9.771 1.00 0.00 WT2 H ATOM 28282 OH2 TIP3 1427 -1.527 -3.144 3.647 1.00 0.00 WT2 O ATOM 28283 H1 TIP3 1427 11.722 1.562 -5.221 1.00 0.00 WT2 H ATOM 28284 H2 TIP3 1427 2.337 24.886 8.671 1.00 0.00 WT2 H ATOM 28285 OH2 TIP3 1428 4.749 11.413 -3.762 1.00 0.00 WT2 O ATOM 28286 H1 TIP3 1428 5.963 21.067 4.396 1.00 0.00 WT2 H ATOM 28287 H2 TIP3 1428 5.186 2.388 -21.077 1.00 0.00 WT2 H ATOM 28288 OH2 TIP3 1429 -2.320 -1.918 8.162 1.00 0.00 WT2 O ATOM 28289 H1 TIP3 1429 5.060 -19.922 1.504 1.00 0.00 WT2 H ATOM 28290 H2 TIP3 1429 3.506 5.090 29.209 1.00 0.00 WT2 H ATOM 28291 OH2 TIP3 1430 -2.752 -0.958 2.916 1.00 0.00 WT2 O ATOM 28292 H1 TIP3 1430 -3.922 3.627 1.204 1.00 0.00 WT2 H ATOM 28293 H2 TIP3 1430 -4.245 -8.261 -1.930 1.00 0.00 WT2 H ATOM 28294 OH2 TIP3 1431 2.822 -4.462 7.659 1.00 0.00 WT2 O ATOM 28295 H1 TIP3 1431 2.890 1.222 -4.265 1.00 0.00 WT2 H ATOM 28296 H2 TIP3 1431 0.301 -7.717 16.420 1.00 0.00 WT2 H ATOM 28297 OH2 TIP3 1432 -2.207 -0.095 -0.694 1.00 0.00 WT2 O ATOM 28298 H1 TIP3 1432 -7.527 7.023 10.712 1.00 0.00 WT2 H ATOM 28299 H2 TIP3 1432 -15.737 -4.137 -3.557 1.00 0.00 WT2 H ATOM 28300 OH2 TIP3 1433 -7.619 -3.399 -0.184 1.00 0.00 WT2 O ATOM 28301 H1 TIP3 1433 -12.748 1.597 9.499 1.00 0.00 WT2 H ATOM 28302 H2 TIP3 1433 -44.552 4.637 2.842 1.00 0.00 WT2 H ATOM 28303 OH2 TIP3 1435 -2.425 -0.284 2.790 1.00 0.00 WT2 O ATOM 28304 H1 TIP3 1435 -2.515 7.216 -2.277 1.00 0.00 WT2 H ATOM 28305 H2 TIP3 1435 -5.075 -8.518 10.622 1.00 0.00 WT2 H ATOM 28306 OH2 TIP3 1440 4.300 -4.059 -2.080 1.00 0.00 WT2 O ATOM 28307 H1 TIP3 1440 -5.757 8.676 10.698 1.00 0.00 WT2 H ATOM 28308 H2 TIP3 1440 2.767 -9.900 -11.964 1.00 0.00 WT2 H ATOM 28309 OH2 TIP3 1450 -2.348 -0.941 -3.558 1.00 0.00 WT2 O ATOM 28310 H1 TIP3 1450 -17.792 -1.370 -8.209 1.00 0.00 WT2 H ATOM 28311 H2 TIP3 1450 -13.718 11.793 7.212 1.00 0.00 WT2 H ATOM 28312 OH2 TIP3 1451 -1.074 -7.208 1.229 1.00 0.00 WT2 O ATOM 28313 H1 TIP3 1451 -1.044 13.445 0.112 1.00 0.00 WT2 H ATOM 28314 H2 TIP3 1451 2.163 -5.499 19.757 1.00 0.00 WT2 H ATOM 28315 OH2 TIP3 1452 5.309 -6.240 2.040 1.00 0.00 WT2 O ATOM 28316 H1 TIP3 1452 3.590 -4.701 -3.354 1.00 0.00 WT2 H ATOM 28317 H2 TIP3 1452 3.800 -2.712 7.633 1.00 0.00 WT2 H ATOM 28318 OH2 TIP3 1453 6.800 5.036 -5.102 1.00 0.00 WT2 O ATOM 28319 H1 TIP3 1453 18.381 7.707 -0.535 1.00 0.00 WT2 H ATOM 28320 H2 TIP3 1453 29.439 10.564 3.729 1.00 0.00 WT2 H ATOM 28321 OH2 TIP3 1454 1.129 5.387 0.797 1.00 0.00 WT2 O ATOM 28322 H1 TIP3 1454 5.827 8.474 3.342 1.00 0.00 WT2 H ATOM 28323 H2 TIP3 1454 -0.682 14.233 -0.040 1.00 0.00 WT2 H ATOM 28324 OH2 TIP3 1457 2.242 7.692 5.791 1.00 0.00 WT2 O ATOM 28325 H1 TIP3 1457 1.603 3.632 -1.068 1.00 0.00 WT2 H ATOM 28326 H2 TIP3 1457 -0.944 6.532 8.731 1.00 0.00 WT2 H ATOM 28327 OH2 TIP3 1458 3.782 -4.178 0.664 1.00 0.00 WT2 O ATOM 28328 H1 TIP3 1458 8.151 -12.234 18.115 1.00 0.00 WT2 H ATOM 28329 H2 TIP3 1458 22.270 3.523 -4.968 1.00 0.00 WT2 H ATOM 28330 OH2 TIP3 1466 -9.104 -2.172 -2.842 1.00 0.00 WT2 O ATOM 28331 H1 TIP3 1466 -2.604 10.199 -19.331 1.00 0.00 WT2 H ATOM 28332 H2 TIP3 1466 -17.346 8.272 8.366 1.00 0.00 WT2 H ATOM 28333 OH2 TIP3 1471 2.217 -3.686 -12.363 1.00 0.00 WT2 O ATOM 28334 H1 TIP3 1471 8.203 -6.962 -5.741 1.00 0.00 WT2 H ATOM 28335 H2 TIP3 1471 -0.978 0.639 -8.937 1.00 0.00 WT2 H ATOM 28336 OH2 TIP3 1474 -2.068 4.576 3.970 1.00 0.00 WT2 O ATOM 28337 H1 TIP3 1474 3.923 -8.145 17.759 1.00 0.00 WT2 H ATOM 28338 H2 TIP3 1474 -21.685 0.683 -1.215 1.00 0.00 WT2 H ATOM 28339 OH2 TIP3 1477 2.465 2.873 -0.142 1.00 0.00 WT2 O ATOM 28340 H1 TIP3 1477 -1.838 11.281 17.527 1.00 0.00 WT2 H ATOM 28341 H2 TIP3 1477 22.846 10.832 0.851 1.00 0.00 WT2 H ATOM 28342 OH2 TIP3 1478 0.810 2.950 7.525 1.00 0.00 WT2 O ATOM 28343 H1 TIP3 1478 7.676 8.728 -1.158 1.00 0.00 WT2 H ATOM 28344 H2 TIP3 1478 8.025 4.046 8.766 1.00 0.00 WT2 H ATOM 28345 OH2 TIP3 1480 -0.953 1.772 2.175 1.00 0.00 WT2 O ATOM 28346 H1 TIP3 1480 -7.089 3.329 12.911 1.00 0.00 WT2 H ATOM 28347 H2 TIP3 1480 6.342 -7.299 5.615 1.00 0.00 WT2 H ATOM 28348 OH2 TIP3 1492 -8.352 1.396 -2.957 1.00 0.00 WT2 O ATOM 28349 H1 TIP3 1492 -13.699 -7.163 -2.849 1.00 0.00 WT2 H ATOM 28350 H2 TIP3 1492 -4.970 7.033 -4.022 1.00 0.00 WT2 H ATOM 28351 OH2 TIP3 1493 -1.591 0.951 4.987 1.00 0.00 WT2 O ATOM 28352 H1 TIP3 1493 -2.786 -21.422 10.564 1.00 0.00 WT2 H ATOM 28353 H2 TIP3 1493 -15.597 2.078 13.123 1.00 0.00 WT2 H ATOM 28354 OH2 TIP3 1494 8.884 -1.172 1.485 1.00 0.00 WT2 O ATOM 28355 H1 TIP3 1494 -14.525 -6.430 2.130 1.00 0.00 WT2 H ATOM 28356 H2 TIP3 1494 -24.602 -14.512 4.912 1.00 0.00 WT2 H ATOM 28357 OH2 TIP3 1496 -6.453 9.886 -7.720 1.00 0.00 WT2 O ATOM 28358 H1 TIP3 1496 2.639 15.274 0.522 1.00 0.00 WT2 H ATOM 28359 H2 TIP3 1496 11.938 5.664 6.453 1.00 0.00 WT2 H ATOM 28360 OH2 TIP3 1497 -4.867 -2.349 5.166 1.00 0.00 WT2 O ATOM 28361 H1 TIP3 1497 11.100 3.224 21.777 1.00 0.00 WT2 H ATOM 28362 H2 TIP3 1497 3.601 -9.505 -12.650 1.00 0.00 WT2 H ATOM 28363 OH2 TIP3 1499 1.513 2.500 -4.162 1.00 0.00 WT2 O ATOM 28364 H1 TIP3 1499 2.010 17.784 -12.878 1.00 0.00 WT2 H ATOM 28365 H2 TIP3 1499 0.541 -0.320 0.016 1.00 0.00 WT2 H ATOM 28366 OH2 TIP3 1512 2.723 -2.653 0.362 1.00 0.00 WT2 O ATOM 28367 H1 TIP3 1512 -2.681 10.368 9.941 1.00 0.00 WT2 H ATOM 28368 H2 TIP3 1512 8.660 -20.241 -11.781 1.00 0.00 WT2 H ATOM 28369 OH2 TIP3 1514 8.166 -2.571 -1.246 1.00 0.00 WT2 O ATOM 28370 H1 TIP3 1514 6.219 9.209 16.629 1.00 0.00 WT2 H ATOM 28371 H2 TIP3 1514 -2.508 -13.098 17.468 1.00 0.00 WT2 H ATOM 28372 OH2 TIP3 1515 7.688 3.288 3.076 1.00 0.00 WT2 O ATOM 28373 H1 TIP3 1515 -3.035 -11.931 -14.063 1.00 0.00 WT2 H ATOM 28374 H2 TIP3 1515 7.950 3.808 4.401 1.00 0.00 WT2 H ATOM 28375 OH2 TIP3 1519 0.894 -2.000 -4.529 1.00 0.00 WT2 O ATOM 28376 H1 TIP3 1519 -0.136 8.142 -1.856 1.00 0.00 WT2 H ATOM 28377 H2 TIP3 1519 32.401 2.328 10.738 1.00 0.00 WT2 H ATOM 28378 OH2 TIP3 1531 -0.702 1.859 -1.680 1.00 0.00 WT2 O ATOM 28379 H1 TIP3 1531 -11.104 -11.862 -2.154 1.00 0.00 WT2 H ATOM 28380 H2 TIP3 1531 -2.501 -12.250 -7.027 1.00 0.00 WT2 H ATOM 28381 OH2 TIP3 1532 -2.273 0.758 -0.890 1.00 0.00 WT2 O ATOM 28382 H1 TIP3 1532 -8.896 -4.575 1.222 1.00 0.00 WT2 H ATOM 28383 H2 TIP3 1532 35.453 -17.412 1.426 1.00 0.00 WT2 H ATOM 28384 OH2 TIP3 1534 -3.813 -1.027 2.370 1.00 0.00 WT2 O ATOM 28385 H1 TIP3 1534 -14.211 2.452 7.475 1.00 0.00 WT2 H ATOM 28386 H2 TIP3 1534 -18.365 4.270 9.959 1.00 0.00 WT2 H ATOM 28387 OH2 TIP3 1535 -2.750 -1.450 1.413 1.00 0.00 WT2 O ATOM 28388 H1 TIP3 1535 -22.735 13.189 -13.876 1.00 0.00 WT2 H ATOM 28389 H2 TIP3 1535 12.306 25.280 -4.668 1.00 0.00 WT2 H ATOM 28390 OH2 TIP3 1536 1.175 -2.486 2.597 1.00 0.00 WT2 O ATOM 28391 H1 TIP3 1536 -2.095 13.957 -10.062 1.00 0.00 WT2 H ATOM 28392 H2 TIP3 1536 6.013 5.570 -8.117 1.00 0.00 WT2 H ATOM 28393 OH2 TIP3 1537 1.389 -0.387 3.400 1.00 0.00 WT2 O ATOM 28394 H1 TIP3 1537 6.906 -12.640 -15.236 1.00 0.00 WT2 H ATOM 28395 H2 TIP3 1537 -4.225 -10.917 27.182 1.00 0.00 WT2 H ATOM 28396 OH2 TIP3 1538 2.090 5.680 5.508 1.00 0.00 WT2 O ATOM 28397 H1 TIP3 1538 13.503 3.642 -13.543 1.00 0.00 WT2 H ATOM 28398 H2 TIP3 1538 -21.133 -1.746 9.795 1.00 0.00 WT2 H ATOM 28399 OH2 TIP3 1539 4.767 -4.141 -0.240 1.00 0.00 WT2 O ATOM 28400 H1 TIP3 1539 5.013 5.122 -8.654 1.00 0.00 WT2 H ATOM 28401 H2 TIP3 1539 13.584 6.835 -9.256 1.00 0.00 WT2 H ATOM 28402 OH2 TIP3 1540 2.635 9.396 0.516 1.00 0.00 WT2 O ATOM 28403 H1 TIP3 1540 -13.773 0.391 20.064 1.00 0.00 WT2 H ATOM 28404 H2 TIP3 1540 -0.569 9.333 21.074 1.00 0.00 WT2 H ATOM 28405 OH2 TIP3 1551 3.109 2.171 1.904 1.00 0.00 WT2 O ATOM 28406 H1 TIP3 1551 7.565 -28.567 20.507 1.00 0.00 WT2 H ATOM 28407 H2 TIP3 1551 13.534 16.467 -19.518 1.00 0.00 WT2 H ATOM 28408 OH2 TIP3 1552 5.516 -1.132 -2.878 1.00 0.00 WT2 O ATOM 28409 H1 TIP3 1552 18.334 2.643 -13.203 1.00 0.00 WT2 H ATOM 28410 H2 TIP3 1552 -3.402 -8.862 11.815 1.00 0.00 WT2 H ATOM 28411 OH2 TIP3 1555 -2.013 -0.858 0.069 1.00 0.00 WT2 O ATOM 28412 H1 TIP3 1555 24.246 -6.393 -9.731 1.00 0.00 WT2 H ATOM 28413 H2 TIP3 1555 -18.456 12.629 19.302 1.00 0.00 WT2 H ATOM 28414 OH2 TIP3 1558 -1.750 -7.493 1.801 1.00 0.00 WT2 O ATOM 28415 H1 TIP3 1558 -10.725 -20.167 7.374 1.00 0.00 WT2 H ATOM 28416 H2 TIP3 1558 2.108 -9.583 5.119 1.00 0.00 WT2 H ATOM 28417 OH2 TIP3 1559 5.034 -2.449 1.506 1.00 0.00 WT2 O ATOM 28418 H1 TIP3 1559 14.804 -6.766 -5.272 1.00 0.00 WT2 H ATOM 28419 H2 TIP3 1559 5.290 5.826 -10.022 1.00 0.00 WT2 H ATOM 28420 OH2 TIP3 1560 1.086 1.225 5.697 1.00 0.00 WT2 O ATOM 28421 H1 TIP3 1560 -11.916 11.612 6.283 1.00 0.00 WT2 H ATOM 28422 H2 TIP3 1560 6.288 -4.893 -11.245 1.00 0.00 WT2 H ATOM 28423 OH2 TIP3 1561 3.578 4.938 0.379 1.00 0.00 WT2 O ATOM 28424 H1 TIP3 1561 -7.222 13.318 -4.057 1.00 0.00 WT2 H ATOM 28425 H2 TIP3 1561 8.765 11.645 10.200 1.00 0.00 WT2 H ATOM 28426 OH2 TIP3 1576 7.076 -0.945 0.793 1.00 0.00 WT2 O ATOM 28427 H1 TIP3 1576 10.999 2.564 3.583 1.00 0.00 WT2 H ATOM 28428 H2 TIP3 1576 3.252 -0.454 6.872 1.00 0.00 WT2 H ATOM 28429 OH2 TIP3 1577 1.291 -3.520 -0.939 1.00 0.00 WT2 O ATOM 28430 H1 TIP3 1577 5.139 -2.066 -4.847 1.00 0.00 WT2 H ATOM 28431 H2 TIP3 1577 0.395 -4.380 5.156 1.00 0.00 WT2 H ATOM 28432 OH2 TIP3 1578 -6.122 -3.357 1.775 1.00 0.00 WT2 O ATOM 28433 H1 TIP3 1578 -6.612 -24.713 11.518 1.00 0.00 WT2 H ATOM 28434 H2 TIP3 1578 -4.983 16.614 -26.849 1.00 0.00 WT2 H ATOM 28435 OH2 TIP3 1579 -4.439 -4.259 -3.390 1.00 0.00 WT2 O ATOM 28436 H1 TIP3 1579 2.164 3.826 -5.100 1.00 0.00 WT2 H ATOM 28437 H2 TIP3 1579 -8.018 -4.504 -5.195 1.00 0.00 WT2 H ATOM 28438 OH2 TIP3 1580 -0.853 -7.645 -2.725 1.00 0.00 WT2 O ATOM 28439 H1 TIP3 1580 -23.365 3.220 3.243 1.00 0.00 WT2 H ATOM 28440 H2 TIP3 1580 5.002 -6.902 -1.346 1.00 0.00 WT2 H ATOM 28441 OH2 TIP3 1582 0.315 4.963 5.540 1.00 0.00 WT2 O ATOM 28442 H1 TIP3 1582 -15.028 8.597 17.834 1.00 0.00 WT2 H ATOM 28443 H2 TIP3 1582 22.983 2.543 -16.023 1.00 0.00 WT2 H ATOM 28444 OH2 TIP3 1583 -1.574 4.700 5.212 1.00 0.00 WT2 O ATOM 28445 H1 TIP3 1583 -2.244 -19.612 5.164 1.00 0.00 WT2 H ATOM 28446 H2 TIP3 1583 -14.426 7.970 -17.453 1.00 0.00 WT2 H ATOM 28447 OH2 TIP3 1599 -2.991 -3.011 -6.788 1.00 0.00 WT2 O ATOM 28448 H1 TIP3 1599 3.152 -5.912 -19.409 1.00 0.00 WT2 H ATOM 28449 H2 TIP3 1599 -12.462 8.470 -8.911 1.00 0.00 WT2 H ATOM 28450 OH2 TIP3 1601 6.359 -5.686 3.443 1.00 0.00 WT2 O ATOM 28451 H1 TIP3 1601 -6.224 -9.901 -17.092 1.00 0.00 WT2 H ATOM 28452 H2 TIP3 1601 -14.209 -2.463 -15.049 1.00 0.00 WT2 H ATOM 28453 OH2 TIP3 1604 -2.449 0.961 4.336 1.00 0.00 WT2 O ATOM 28454 H1 TIP3 1604 -7.011 -12.996 -8.467 1.00 0.00 WT2 H ATOM 28455 H2 TIP3 1604 -2.992 33.380 27.164 1.00 0.00 WT2 H ATOM 28456 OH2 TIP3 1605 -2.516 4.785 -1.117 1.00 0.00 WT2 O ATOM 28457 H1 TIP3 1605 -18.174 -17.186 3.769 1.00 0.00 WT2 H ATOM 28458 H2 TIP3 1605 -0.603 -3.416 -6.905 1.00 0.00 WT2 H ATOM 28459 OH2 TIP3 1616 -3.089 -0.270 -2.087 1.00 0.00 WT2 O ATOM 28460 H1 TIP3 1616 -27.339 4.687 20.702 1.00 0.00 WT2 H ATOM 28461 H2 TIP3 1616 25.104 -20.787 -1.520 1.00 0.00 WT2 H ATOM 28462 OH2 TIP3 1617 -0.771 0.805 -8.350 1.00 0.00 WT2 O ATOM 28463 H1 TIP3 1617 3.369 5.331 -7.328 1.00 0.00 WT2 H ATOM 28464 H2 TIP3 1617 8.824 15.425 -5.925 1.00 0.00 WT2 H ATOM 28465 OH2 TIP3 1618 -2.203 -2.983 -8.549 1.00 0.00 WT2 O ATOM 28466 H1 TIP3 1618 -7.956 -3.348 -1.413 1.00 0.00 WT2 H ATOM 28467 H2 TIP3 1618 -2.376 -3.286 -8.596 1.00 0.00 WT2 H ATOM 28468 OH2 TIP3 1620 5.710 -1.199 -6.598 1.00 0.00 WT2 O ATOM 28469 H1 TIP3 1620 19.555 -2.054 1.984 1.00 0.00 WT2 H ATOM 28470 H2 TIP3 1620 -1.554 5.448 -2.739 1.00 0.00 WT2 H ATOM 28471 OH2 TIP3 1621 -0.516 -1.656 -0.821 1.00 0.00 WT2 O ATOM 28472 H1 TIP3 1621 23.447 -3.772 11.298 1.00 0.00 WT2 H ATOM 28473 H2 TIP3 1621 -7.225 -23.281 -0.593 1.00 0.00 WT2 H ATOM 28474 OH2 TIP3 1622 1.211 -3.086 3.145 1.00 0.00 WT2 O ATOM 28475 H1 TIP3 1622 16.822 4.398 -0.039 1.00 0.00 WT2 H ATOM 28476 H2 TIP3 1622 0.854 -3.476 2.396 1.00 0.00 WT2 H ATOM 28477 OH2 TIP3 1623 2.142 -3.329 1.166 1.00 0.00 WT2 O ATOM 28478 H1 TIP3 1623 -6.224 2.802 10.572 1.00 0.00 WT2 H ATOM 28479 H2 TIP3 1623 4.546 6.337 -8.323 1.00 0.00 WT2 H ATOM 28480 OH2 TIP3 1624 -1.073 0.472 3.902 1.00 0.00 WT2 O ATOM 28481 H1 TIP3 1624 -5.321 1.423 -0.592 1.00 0.00 WT2 H ATOM 28482 H2 TIP3 1624 7.858 -6.197 -0.806 1.00 0.00 WT2 H ATOM 28483 OH2 TIP3 1625 2.151 -3.788 1.269 1.00 0.00 WT2 O ATOM 28484 H1 TIP3 1625 4.483 -7.096 5.112 1.00 0.00 WT2 H ATOM 28485 H2 TIP3 1625 0.334 2.868 3.311 1.00 0.00 WT2 H ATOM 28486 OH2 TIP3 1628 -1.320 6.207 -4.459 1.00 0.00 WT2 O ATOM 28487 H1 TIP3 1628 -4.072 9.614 13.929 1.00 0.00 WT2 H ATOM 28488 H2 TIP3 1628 -4.523 -28.854 15.105 1.00 0.00 WT2 H ATOM 28489 OH2 TIP3 1638 -2.322 -7.152 -2.730 1.00 0.00 WT2 O ATOM 28490 H1 TIP3 1638 15.426 8.282 -9.066 1.00 0.00 WT2 H ATOM 28491 H2 TIP3 1638 -8.758 4.652 1.796 1.00 0.00 WT2 H ATOM 28492 OH2 TIP3 1639 8.449 2.621 2.424 1.00 0.00 WT2 O ATOM 28493 H1 TIP3 1639 10.172 14.670 16.735 1.00 0.00 WT2 H ATOM 28494 H2 TIP3 1639 -5.923 -6.934 -1.215 1.00 0.00 WT2 H ATOM 28495 OH2 TIP3 1640 2.510 2.465 -1.335 1.00 0.00 WT2 O ATOM 28496 H1 TIP3 1640 14.228 10.692 -4.183 1.00 0.00 WT2 H ATOM 28497 H2 TIP3 1640 8.749 6.597 -2.667 1.00 0.00 WT2 H ATOM 28498 OH2 TIP3 1641 0.607 -5.530 2.466 1.00 0.00 WT2 O ATOM 28499 H1 TIP3 1641 19.288 -15.978 7.422 1.00 0.00 WT2 H ATOM 28500 H2 TIP3 1641 -9.635 1.541 8.050 1.00 0.00 WT2 H ATOM 28501 OH2 TIP3 1643 2.115 -3.912 0.217 1.00 0.00 WT2 O ATOM 28502 H1 TIP3 1643 -6.900 -27.398 -9.817 1.00 0.00 WT2 H ATOM 28503 H2 TIP3 1643 1.649 -7.586 -1.688 1.00 0.00 WT2 H ATOM 28504 OH2 TIP3 1645 -0.087 -4.238 0.877 1.00 0.00 WT2 O ATOM 28505 H1 TIP3 1645 5.831 -1.538 11.764 1.00 0.00 WT2 H ATOM 28506 H2 TIP3 1645 11.169 -2.538 -7.446 1.00 0.00 WT2 H ATOM 28507 OH2 TIP3 1647 -2.655 -2.539 -2.938 1.00 0.00 WT2 O ATOM 28508 H1 TIP3 1647 5.462 -11.361 -5.578 1.00 0.00 WT2 H ATOM 28509 H2 TIP3 1647 14.599 25.953 -4.592 1.00 0.00 WT2 H ATOM 28510 OH2 TIP3 1648 -2.184 -2.013 -2.283 1.00 0.00 WT2 O ATOM 28511 H1 TIP3 1648 -10.615 6.912 -4.660 1.00 0.00 WT2 H ATOM 28512 H2 TIP3 1648 7.567 -23.151 3.722 1.00 0.00 WT2 H ATOM 28513 OH2 TIP3 1656 -5.112 -2.666 2.782 1.00 0.00 WT2 O ATOM 28514 H1 TIP3 1656 -3.738 17.191 -16.347 1.00 0.00 WT2 H ATOM 28515 H2 TIP3 1656 -5.903 -15.229 8.914 1.00 0.00 WT2 H ATOM 28516 OH2 TIP3 1658 5.197 0.231 -2.584 1.00 0.00 WT2 O ATOM 28517 H1 TIP3 1658 -0.527 -1.296 12.393 1.00 0.00 WT2 H ATOM 28518 H2 TIP3 1658 13.474 -11.752 1.255 1.00 0.00 WT2 H ATOM 28519 OH2 TIP3 1659 -6.452 2.609 1.314 1.00 0.00 WT2 O ATOM 28520 H1 TIP3 1659 -14.413 -9.609 -2.045 1.00 0.00 WT2 H ATOM 28521 H2 TIP3 1659 -7.583 5.169 -6.334 1.00 0.00 WT2 H ATOM 28522 OH2 TIP3 1661 -6.301 1.711 0.380 1.00 0.00 WT2 O ATOM 28523 H1 TIP3 1661 6.791 9.317 -8.146 1.00 0.00 WT2 H ATOM 28524 H2 TIP3 1661 -12.868 -10.100 -3.055 1.00 0.00 WT2 H ATOM 28525 OH2 TIP3 1662 0.930 3.264 -4.874 1.00 0.00 WT2 O ATOM 28526 H1 TIP3 1662 21.420 11.693 -8.321 1.00 0.00 WT2 H ATOM 28527 H2 TIP3 1662 -14.663 9.110 -20.864 1.00 0.00 WT2 H ATOM 28528 OH2 TIP3 1663 -0.514 -2.027 7.103 1.00 0.00 WT2 O ATOM 28529 H1 TIP3 1663 9.737 -35.894 0.319 1.00 0.00 WT2 H ATOM 28530 H2 TIP3 1663 -19.873 -0.604 13.491 1.00 0.00 WT2 H ATOM 28531 OH2 TIP3 1664 3.116 -1.373 0.954 1.00 0.00 WT2 O ATOM 28532 H1 TIP3 1664 2.603 -2.012 -6.069 1.00 0.00 WT2 H ATOM 28533 H2 TIP3 1664 -0.875 -9.333 8.102 1.00 0.00 WT2 H ATOM 28534 OH2 TIP3 1665 0.777 0.446 -1.302 1.00 0.00 WT2 O ATOM 28535 H1 TIP3 1665 -7.782 -24.274 -20.763 1.00 0.00 WT2 H ATOM 28536 H2 TIP3 1665 10.485 1.194 12.767 1.00 0.00 WT2 H ATOM 28537 OH2 TIP3 1666 -1.774 3.636 -1.114 1.00 0.00 WT2 O ATOM 28538 H1 TIP3 1666 -8.093 5.747 -9.342 1.00 0.00 WT2 H ATOM 28539 H2 TIP3 1666 -6.962 -1.830 6.491 1.00 0.00 WT2 H ATOM 28540 OH2 TIP3 1667 -0.824 5.107 -5.694 1.00 0.00 WT2 O ATOM 28541 H1 TIP3 1667 -10.653 16.074 -22.671 1.00 0.00 WT2 H ATOM 28542 H2 TIP3 1667 -1.604 11.163 -8.403 1.00 0.00 WT2 H ATOM 28543 OH2 TIP3 1681 2.857 -3.870 1.049 1.00 0.00 WT2 O ATOM 28544 H1 TIP3 1681 11.287 21.056 4.796 1.00 0.00 WT2 H ATOM 28545 H2 TIP3 1681 -11.163 3.129 -20.172 1.00 0.00 WT2 H ATOM 28546 OH2 TIP3 1683 4.493 2.479 0.975 1.00 0.00 WT2 O ATOM 28547 H1 TIP3 1683 1.492 4.672 14.972 1.00 0.00 WT2 H ATOM 28548 H2 TIP3 1683 4.631 3.026 4.070 1.00 0.00 WT2 H ATOM 28549 OH2 TIP3 1684 0.788 -8.539 8.131 1.00 0.00 WT2 O ATOM 28550 H1 TIP3 1684 9.011 12.090 3.225 1.00 0.00 WT2 H ATOM 28551 H2 TIP3 1684 8.464 -4.611 -11.188 1.00 0.00 WT2 H ATOM 28552 OH2 TIP3 1686 -2.786 1.219 3.981 1.00 0.00 WT2 O ATOM 28553 H1 TIP3 1686 -21.491 -5.729 -0.320 1.00 0.00 WT2 H ATOM 28554 H2 TIP3 1686 -6.990 16.374 17.245 1.00 0.00 WT2 H ATOM 28555 OH2 TIP3 1687 0.757 -0.173 -2.344 1.00 0.00 WT2 O ATOM 28556 H1 TIP3 1687 0.894 -10.833 4.646 1.00 0.00 WT2 H ATOM 28557 H2 TIP3 1687 -20.211 -2.613 11.721 1.00 0.00 WT2 H ATOM 28558 OH2 TIP3 1688 -3.558 3.766 -5.502 1.00 0.00 WT2 O ATOM 28559 H1 TIP3 1688 5.908 0.055 -11.936 1.00 0.00 WT2 H ATOM 28560 H2 TIP3 1688 -0.469 8.128 3.101 1.00 0.00 WT2 H ATOM 28561 OH2 TIP3 1689 2.753 -9.331 0.437 1.00 0.00 WT2 O ATOM 28562 H1 TIP3 1689 -11.628 5.940 7.203 1.00 0.00 WT2 H ATOM 28563 H2 TIP3 1689 -6.058 -4.535 -26.137 1.00 0.00 WT2 H ATOM 28564 OH2 TIP3 1691 -2.571 -4.441 -1.570 1.00 0.00 WT2 O ATOM 28565 H1 TIP3 1691 -5.996 -4.094 -5.443 1.00 0.00 WT2 H ATOM 28566 H2 TIP3 1691 11.244 -10.873 0.494 1.00 0.00 WT2 H ATOM 28567 OH2 TIP3 1701 -3.389 -4.122 3.266 1.00 0.00 WT2 O ATOM 28568 H1 TIP3 1701 -3.670 -8.108 4.226 1.00 0.00 WT2 H ATOM 28569 H2 TIP3 1701 -10.073 5.434 7.490 1.00 0.00 WT2 H ATOM 28570 OH2 TIP3 1702 -2.685 -3.898 0.662 1.00 0.00 WT2 O ATOM 28571 H1 TIP3 1702 8.571 7.360 4.383 1.00 0.00 WT2 H ATOM 28572 H2 TIP3 1702 -1.658 4.098 5.668 1.00 0.00 WT2 H ATOM 28573 OH2 TIP3 1704 1.994 -0.688 5.029 1.00 0.00 WT2 O ATOM 28574 H1 TIP3 1704 11.600 10.811 10.087 1.00 0.00 WT2 H ATOM 28575 H2 TIP3 1704 -3.928 -2.968 1.882 1.00 0.00 WT2 H ATOM 28576 OH2 TIP3 1706 -2.981 2.314 -3.830 1.00 0.00 WT2 O ATOM 28577 H1 TIP3 1706 9.827 11.249 -1.325 1.00 0.00 WT2 H ATOM 28578 H2 TIP3 1706 -12.368 7.074 5.732 1.00 0.00 WT2 H ATOM 28579 OH2 TIP3 1707 1.154 4.595 5.139 1.00 0.00 WT2 O ATOM 28580 H1 TIP3 1707 5.208 11.035 10.828 1.00 0.00 WT2 H ATOM 28581 H2 TIP3 1707 12.700 0.024 0.198 1.00 0.00 WT2 H ATOM 28582 OH2 TIP3 1708 1.458 -6.499 4.494 1.00 0.00 WT2 O ATOM 28583 H1 TIP3 1708 6.677 -23.298 23.198 1.00 0.00 WT2 H ATOM 28584 H2 TIP3 1708 -10.838 11.797 -9.028 1.00 0.00 WT2 H ATOM 28585 OH2 TIP3 1710 8.733 2.173 -1.206 1.00 0.00 WT2 O ATOM 28586 H1 TIP3 1710 -6.667 0.590 22.323 1.00 0.00 WT2 H ATOM 28587 H2 TIP3 1710 -3.332 -12.219 19.735 1.00 0.00 WT2 H ATOM 28588 OH2 TIP3 1723 1.100 -7.091 1.381 1.00 0.00 WT2 O ATOM 28589 H1 TIP3 1723 -13.705 -4.897 18.474 1.00 0.00 WT2 H ATOM 28590 H2 TIP3 1723 -17.922 8.930 -12.533 1.00 0.00 WT2 H ATOM 28591 OH2 TIP3 1725 12.902 3.529 0.566 1.00 0.00 WT2 O ATOM 28592 H1 TIP3 1725 4.422 6.629 -1.978 1.00 0.00 WT2 H ATOM 28593 H2 TIP3 1725 17.739 1.267 -2.253 1.00 0.00 WT2 H ATOM 28594 OH2 TIP3 1728 -3.370 -1.594 -0.144 1.00 0.00 WT2 O ATOM 28595 H1 TIP3 1728 -9.529 -0.106 -3.779 1.00 0.00 WT2 H ATOM 28596 H2 TIP3 1728 0.485 2.140 2.335 1.00 0.00 WT2 H ATOM 28597 OH2 TIP3 1730 0.343 0.401 4.248 1.00 0.00 WT2 O ATOM 28598 H1 TIP3 1730 -1.790 -6.619 1.059 1.00 0.00 WT2 H ATOM 28599 H2 TIP3 1730 -5.888 7.246 -14.852 1.00 0.00 WT2 H ATOM 28600 OH2 TIP3 1731 7.368 -4.022 -1.771 1.00 0.00 WT2 O ATOM 28601 H1 TIP3 1731 -9.637 -18.033 -16.628 1.00 0.00 WT2 H ATOM 28602 H2 TIP3 1731 -8.146 16.439 10.711 1.00 0.00 WT2 H ATOM 28603 OH2 TIP3 1733 1.714 0.463 3.080 1.00 0.00 WT2 O ATOM 28604 H1 TIP3 1733 1.027 10.390 -0.343 1.00 0.00 WT2 H ATOM 28605 H2 TIP3 1733 11.577 -2.235 10.298 1.00 0.00 WT2 H ATOM 28606 OH2 TIP3 1738 -0.795 -3.181 5.349 1.00 0.00 WT2 O ATOM 28607 H1 TIP3 1738 -2.137 -10.461 14.107 1.00 0.00 WT2 H ATOM 28608 H2 TIP3 1738 9.197 -3.545 3.047 1.00 0.00 WT2 H ATOM 28609 OH2 TIP3 1744 1.096 -0.106 -1.865 1.00 0.00 WT2 O ATOM 28610 H1 TIP3 1744 7.212 0.069 -0.940 1.00 0.00 WT2 H ATOM 28611 H2 TIP3 1744 -0.464 -5.293 -5.803 1.00 0.00 WT2 H ATOM 28612 OH2 TIP3 1746 -1.429 -4.441 -5.497 1.00 0.00 WT2 O ATOM 28613 H1 TIP3 1746 -19.860 8.972 8.088 1.00 0.00 WT2 H ATOM 28614 H2 TIP3 1746 3.297 -8.937 -1.905 1.00 0.00 WT2 H ATOM 28615 OH2 TIP3 1747 -10.494 -2.374 -0.065 1.00 0.00 WT2 O ATOM 28616 H1 TIP3 1747 -19.176 -15.598 5.917 1.00 0.00 WT2 H ATOM 28617 H2 TIP3 1747 -1.543 10.625 -5.448 1.00 0.00 WT2 H ATOM 28618 OH2 TIP3 1748 11.003 1.956 0.790 1.00 0.00 WT2 O ATOM 28619 H1 TIP3 1748 10.954 -2.767 -2.482 1.00 0.00 WT2 H ATOM 28620 H2 TIP3 1748 15.392 11.925 6.546 1.00 0.00 WT2 H ATOM 28621 OH2 TIP3 1749 -2.097 -3.725 1.617 1.00 0.00 WT2 O ATOM 28622 H1 TIP3 1749 -6.023 -0.541 7.317 1.00 0.00 WT2 H ATOM 28623 H2 TIP3 1749 -12.004 0.078 9.900 1.00 0.00 WT2 H ATOM 28624 OH2 TIP3 1750 0.458 1.640 -7.224 1.00 0.00 WT2 O ATOM 28625 H1 TIP3 1750 -3.521 -13.100 -4.484 1.00 0.00 WT2 H ATOM 28626 H2 TIP3 1750 12.454 -2.369 -9.585 1.00 0.00 WT2 H ATOM 28627 OH2 TIP3 1751 0.022 -2.038 4.356 1.00 0.00 WT2 O ATOM 28628 H1 TIP3 1751 -14.543 19.131 -1.170 1.00 0.00 WT2 H ATOM 28629 H2 TIP3 1751 -0.973 -12.662 -3.275 1.00 0.00 WT2 H ATOM 28630 OH2 TIP3 1764 1.939 0.889 -0.686 1.00 0.00 WT2 O ATOM 28631 H1 TIP3 1764 -6.667 -2.048 -4.687 1.00 0.00 WT2 H ATOM 28632 H2 TIP3 1764 0.393 -3.508 8.346 1.00 0.00 WT2 H ATOM 28633 OH2 TIP3 1766 -5.827 -3.959 1.188 1.00 0.00 WT2 O ATOM 28634 H1 TIP3 1766 -8.004 5.791 -0.572 1.00 0.00 WT2 H ATOM 28635 H2 TIP3 1766 -4.777 -8.327 2.543 1.00 0.00 WT2 H ATOM 28636 OH2 TIP3 1767 5.152 1.177 -7.172 1.00 0.00 WT2 O ATOM 28637 H1 TIP3 1767 8.379 19.103 -8.948 1.00 0.00 WT2 H ATOM 28638 H2 TIP3 1767 -9.927 7.203 0.433 1.00 0.00 WT2 H ATOM 28639 OH2 TIP3 1768 -0.337 7.432 6.749 1.00 0.00 WT2 O ATOM 28640 H1 TIP3 1768 2.303 -0.138 0.627 1.00 0.00 WT2 H ATOM 28641 H2 TIP3 1768 -2.831 6.270 5.617 1.00 0.00 WT2 H ATOM 28642 OH2 TIP3 1769 -2.237 3.362 10.130 1.00 0.00 WT2 O ATOM 28643 H1 TIP3 1769 -6.641 4.575 8.121 1.00 0.00 WT2 H ATOM 28644 H2 TIP3 1769 -2.123 0.566 10.651 1.00 0.00 WT2 H ATOM 28645 OH2 TIP3 1770 -12.279 -4.934 1.301 1.00 0.00 WT2 O ATOM 28646 H1 TIP3 1770 -26.601 11.412 21.222 1.00 0.00 WT2 H ATOM 28647 H2 TIP3 1770 -7.518 3.620 0.712 1.00 0.00 WT2 H ATOM 28648 OH2 TIP3 1771 2.505 0.509 -6.745 1.00 0.00 WT2 O ATOM 28649 H1 TIP3 1771 10.795 -3.537 -5.803 1.00 0.00 WT2 H ATOM 28650 H2 TIP3 1771 -4.792 -3.594 -4.925 1.00 0.00 WT2 H ATOM 28651 OH2 TIP3 1773 -0.381 6.072 4.741 1.00 0.00 WT2 O ATOM 28652 H1 TIP3 1773 -31.209 21.638 20.956 1.00 0.00 WT2 H ATOM 28653 H2 TIP3 1773 12.107 2.789 -9.648 1.00 0.00 WT2 H ATOM 28654 OH2 TIP3 1784 2.030 6.450 -2.434 1.00 0.00 WT2 O ATOM 28655 H1 TIP3 1784 -1.352 0.799 -8.903 1.00 0.00 WT2 H ATOM 28656 H2 TIP3 1784 -12.874 -1.076 -9.121 1.00 0.00 WT2 H ATOM 28657 OH2 TIP3 1785 -1.029 -11.711 -5.634 1.00 0.00 WT2 O ATOM 28658 H1 TIP3 1785 1.878 10.071 -11.494 1.00 0.00 WT2 H ATOM 28659 H2 TIP3 1785 -18.238 -11.130 8.649 1.00 0.00 WT2 H ATOM 28660 OH2 TIP3 1788 -6.055 2.511 -0.953 1.00 0.00 WT2 O ATOM 28661 H1 TIP3 1788 -8.994 25.373 -7.999 1.00 0.00 WT2 H ATOM 28662 H2 TIP3 1788 2.486 9.156 7.043 1.00 0.00 WT2 H ATOM 28663 OH2 TIP3 1789 -0.953 1.946 2.960 1.00 0.00 WT2 O ATOM 28664 H1 TIP3 1789 25.639 -17.278 -12.073 1.00 0.00 WT2 H ATOM 28665 H2 TIP3 1789 -14.480 5.540 8.718 1.00 0.00 WT2 H ATOM 28666 OH2 TIP3 1790 2.412 -1.225 -7.865 1.00 0.00 WT2 O ATOM 28667 H1 TIP3 1790 1.693 -26.983 10.257 1.00 0.00 WT2 H ATOM 28668 H2 TIP3 1790 -2.462 18.724 9.794 1.00 0.00 WT2 H ATOM 28669 OH2 TIP3 1791 -1.934 2.641 1.620 1.00 0.00 WT2 O ATOM 28670 H1 TIP3 1791 -8.727 23.073 2.295 1.00 0.00 WT2 H ATOM 28671 H2 TIP3 1791 5.697 -5.417 -14.755 1.00 0.00 WT2 H ATOM 28672 OH2 TIP3 1792 -1.272 0.566 -1.794 1.00 0.00 WT2 O ATOM 28673 H1 TIP3 1792 -0.812 12.595 16.759 1.00 0.00 WT2 H ATOM 28674 H2 TIP3 1792 11.549 10.605 0.012 1.00 0.00 WT2 H ATOM 28675 OH2 TIP3 1795 -3.849 -1.950 -3.953 1.00 0.00 WT2 O ATOM 28676 H1 TIP3 1795 4.920 -7.177 -1.051 1.00 0.00 WT2 H ATOM 28677 H2 TIP3 1795 -4.700 0.269 -5.197 1.00 0.00 WT2 H ATOM 28678 OH2 TIP3 1796 5.715 1.223 6.376 1.00 0.00 WT2 O ATOM 28679 H1 TIP3 1796 -0.705 -15.408 -5.414 1.00 0.00 WT2 H ATOM 28680 H2 TIP3 1796 -4.721 -28.726 16.210 1.00 0.00 WT2 H ATOM 28681 OH2 TIP3 1810 0.252 4.013 -6.037 1.00 0.00 WT2 O ATOM 28682 H1 TIP3 1810 -5.751 -30.264 -8.265 1.00 0.00 WT2 H ATOM 28683 H2 TIP3 1810 -13.985 5.725 -19.442 1.00 0.00 WT2 H ATOM 28684 OH2 TIP3 1811 3.770 1.730 -2.368 1.00 0.00 WT2 O ATOM 28685 H1 TIP3 1811 11.866 0.734 -19.683 1.00 0.00 WT2 H ATOM 28686 H2 TIP3 1811 -10.685 -2.890 12.756 1.00 0.00 WT2 H ATOM 28687 OH2 TIP3 1813 -2.125 -0.502 -4.117 1.00 0.00 WT2 O ATOM 28688 H1 TIP3 1813 17.551 11.818 -44.266 1.00 0.00 WT2 H ATOM 28689 H2 TIP3 1813 8.400 -3.678 -16.659 1.00 0.00 WT2 H ATOM 28690 OH2 TIP3 1814 -4.384 -0.297 -9.729 1.00 0.00 WT2 O ATOM 28691 H1 TIP3 1814 16.328 -19.641 -16.760 1.00 0.00 WT2 H ATOM 28692 H2 TIP3 1814 -4.429 18.603 -0.408 1.00 0.00 WT2 H ATOM 28693 OH2 TIP3 1816 -0.328 -3.045 3.111 1.00 0.00 WT2 O ATOM 28694 H1 TIP3 1816 26.515 -11.382 34.490 1.00 0.00 WT2 H ATOM 28695 H2 TIP3 1816 17.469 10.234 -6.174 1.00 0.00 WT2 H ATOM 28696 OH2 TIP3 1824 -4.988 -0.025 3.632 1.00 0.00 WT2 O ATOM 28697 H1 TIP3 1824 -7.027 -12.083 9.718 1.00 0.00 WT2 H ATOM 28698 H2 TIP3 1824 -3.735 -0.892 -0.411 1.00 0.00 WT2 H ATOM 28699 OH2 TIP3 1829 -0.694 8.244 -2.800 1.00 0.00 WT2 O ATOM 28700 H1 TIP3 1829 -7.886 7.247 -4.567 1.00 0.00 WT2 H ATOM 28701 H2 TIP3 1829 1.181 5.958 8.868 1.00 0.00 WT2 H ATOM 28702 OH2 TIP3 1830 -0.495 -6.155 -4.746 1.00 0.00 WT2 O ATOM 28703 H1 TIP3 1830 5.905 -20.165 -5.841 1.00 0.00 WT2 H ATOM 28704 H2 TIP3 1830 5.534 -10.678 -2.115 1.00 0.00 WT2 H ATOM 28705 OH2 TIP3 1831 6.397 5.949 -7.148 1.00 0.00 WT2 O ATOM 28706 H1 TIP3 1831 3.573 3.013 -5.231 1.00 0.00 WT2 H ATOM 28707 H2 TIP3 1831 14.684 -0.185 -12.441 1.00 0.00 WT2 H ATOM 28708 OH2 TIP3 1832 -0.201 -0.721 2.592 1.00 0.00 WT2 O ATOM 28709 H1 TIP3 1832 8.609 0.734 4.664 1.00 0.00 WT2 H ATOM 28710 H2 TIP3 1832 -28.313 9.541 21.214 1.00 0.00 WT2 H ATOM 28711 OH2 TIP3 1835 0.632 -1.848 3.716 1.00 0.00 WT2 O ATOM 28712 H1 TIP3 1835 13.430 10.077 -2.700 1.00 0.00 WT2 H ATOM 28713 H2 TIP3 1835 9.083 21.361 2.544 1.00 0.00 WT2 H ATOM 28714 OH2 TIP3 1837 -4.851 -2.029 -3.897 1.00 0.00 WT2 O ATOM 28715 H1 TIP3 1837 -8.162 10.291 -12.529 1.00 0.00 WT2 H ATOM 28716 H2 TIP3 1837 11.469 -3.364 16.630 1.00 0.00 WT2 H ATOM 28717 OH2 TIP3 1847 -0.137 -1.391 1.107 1.00 0.00 WT2 O ATOM 28718 H1 TIP3 1847 1.127 4.642 -1.359 1.00 0.00 WT2 H ATOM 28719 H2 TIP3 1847 -6.357 -1.964 -16.884 1.00 0.00 WT2 H ATOM 28720 OH2 TIP3 1850 3.198 -0.672 1.251 1.00 0.00 WT2 O ATOM 28721 H1 TIP3 1850 2.945 2.635 5.751 1.00 0.00 WT2 H ATOM 28722 H2 TIP3 1850 2.452 -8.237 -7.598 1.00 0.00 WT2 H ATOM 28723 OH2 TIP3 1851 2.894 -0.832 5.563 1.00 0.00 WT2 O ATOM 28724 H1 TIP3 1851 -10.582 5.981 0.553 1.00 0.00 WT2 H ATOM 28725 H2 TIP3 1851 1.856 -0.285 7.712 1.00 0.00 WT2 H ATOM 28726 OH2 TIP3 1852 -2.869 5.149 1.955 1.00 0.00 WT2 O ATOM 28727 H1 TIP3 1852 -5.541 18.102 14.123 1.00 0.00 WT2 H ATOM 28728 H2 TIP3 1852 -4.293 -9.291 -15.182 1.00 0.00 WT2 H ATOM 28729 OH2 TIP3 1853 -3.085 -1.397 1.284 1.00 0.00 WT2 O ATOM 28730 H1 TIP3 1853 -15.657 2.487 33.747 1.00 0.00 WT2 H ATOM 28731 H2 TIP3 1853 -1.043 -40.129 10.212 1.00 0.00 WT2 H ATOM 28732 OH2 TIP3 1854 -0.898 -4.930 0.945 1.00 0.00 WT2 O ATOM 28733 H1 TIP3 1854 6.105 -20.252 -13.513 1.00 0.00 WT2 H ATOM 28734 H2 TIP3 1854 -10.820 8.242 9.990 1.00 0.00 WT2 H ATOM 28735 OH2 TIP3 1855 -4.760 1.926 3.278 1.00 0.00 WT2 O ATOM 28736 H1 TIP3 1855 -0.631 -1.759 4.474 1.00 0.00 WT2 H ATOM 28737 H2 TIP3 1855 7.301 -9.063 6.584 1.00 0.00 WT2 H ATOM 28738 OH2 TIP3 1856 -3.747 2.662 0.980 1.00 0.00 WT2 O ATOM 28739 H1 TIP3 1856 -8.641 3.692 -7.751 1.00 0.00 WT2 H ATOM 28740 H2 TIP3 1856 3.716 12.074 -12.442 1.00 0.00 WT2 H ATOM 28741 OH2 TIP3 1870 -0.742 3.854 -0.642 1.00 0.00 WT2 O ATOM 28742 H1 TIP3 1870 8.769 -19.075 -5.389 1.00 0.00 WT2 H ATOM 28743 H2 TIP3 1870 1.789 16.482 -24.439 1.00 0.00 WT2 H ATOM 28744 OH2 TIP3 1871 -1.497 1.420 0.777 1.00 0.00 WT2 O ATOM 28745 H1 TIP3 1871 1.821 -8.210 2.915 1.00 0.00 WT2 H ATOM 28746 H2 TIP3 1871 -11.224 8.952 -7.761 1.00 0.00 WT2 H ATOM 28747 OH2 TIP3 1872 -0.551 5.263 2.042 1.00 0.00 WT2 O ATOM 28748 H1 TIP3 1872 -8.682 4.776 -5.290 1.00 0.00 WT2 H ATOM 28749 H2 TIP3 1872 -2.230 -5.859 -9.997 1.00 0.00 WT2 H ATOM 28750 OH2 TIP3 1873 8.894 -5.085 5.011 1.00 0.00 WT2 O ATOM 28751 H1 TIP3 1873 9.565 -12.044 15.437 1.00 0.00 WT2 H ATOM 28752 H2 TIP3 1873 25.078 -0.422 4.431 1.00 0.00 WT2 H ATOM 28753 OH2 TIP3 1875 0.758 -6.102 1.324 1.00 0.00 WT2 O ATOM 28754 H1 TIP3 1875 -8.486 2.756 8.288 1.00 0.00 WT2 H ATOM 28755 H2 TIP3 1875 14.017 1.311 0.628 1.00 0.00 WT2 H ATOM 28756 OH2 TIP3 1877 2.597 -3.579 1.849 1.00 0.00 WT2 O ATOM 28757 H1 TIP3 1877 6.659 -4.741 -13.325 1.00 0.00 WT2 H ATOM 28758 H2 TIP3 1877 2.644 20.091 -2.227 1.00 0.00 WT2 H ATOM 28759 OH2 TIP3 1881 1.556 -4.819 4.989 1.00 0.00 WT2 O ATOM 28760 H1 TIP3 1881 11.531 -3.847 -8.202 1.00 0.00 WT2 H ATOM 28761 H2 TIP3 1881 -3.805 10.845 9.307 1.00 0.00 WT2 H ATOM 28762 OH2 TIP3 1885 -1.940 1.135 5.592 1.00 0.00 WT2 O ATOM 28763 H1 TIP3 1885 11.966 31.469 10.211 1.00 0.00 WT2 H ATOM 28764 H2 TIP3 1885 24.892 13.528 -7.294 1.00 0.00 WT2 H ATOM 28765 OH2 TIP3 1891 0.725 3.491 -4.472 1.00 0.00 WT2 O ATOM 28766 H1 TIP3 1891 -3.079 -7.250 -12.988 1.00 0.00 WT2 H ATOM 28767 H2 TIP3 1891 18.893 -3.413 -0.993 1.00 0.00 WT2 H ATOM 28768 OH2 TIP3 1892 4.215 -8.157 0.691 1.00 0.00 WT2 O ATOM 28769 H1 TIP3 1892 -18.796 4.253 -14.835 1.00 0.00 WT2 H ATOM 28770 H2 TIP3 1892 -7.570 -10.595 5.133 1.00 0.00 WT2 H ATOM 28771 OH2 TIP3 1894 8.250 -2.622 -0.980 1.00 0.00 WT2 O ATOM 28772 H1 TIP3 1894 15.825 -13.023 3.185 1.00 0.00 WT2 H ATOM 28773 H2 TIP3 1894 18.241 7.788 -6.717 1.00 0.00 WT2 H ATOM 28774 OH2 TIP3 1895 7.912 -3.105 -1.405 1.00 0.00 WT2 O ATOM 28775 H1 TIP3 1895 -7.943 -0.625 9.877 1.00 0.00 WT2 H ATOM 28776 H2 TIP3 1895 -13.979 -1.438 21.155 1.00 0.00 WT2 H ATOM 28777 OH2 TIP3 1896 -1.568 -4.134 -4.333 1.00 0.00 WT2 O ATOM 28778 H1 TIP3 1896 -0.484 2.165 -10.083 1.00 0.00 WT2 H ATOM 28779 H2 TIP3 1896 3.569 -12.168 3.032 1.00 0.00 WT2 H ATOM 28780 OH2 TIP3 1897 -0.627 -3.786 4.989 1.00 0.00 WT2 O ATOM 28781 H1 TIP3 1897 -20.186 -12.624 6.018 1.00 0.00 WT2 H ATOM 28782 H2 TIP3 1897 0.452 -14.555 15.274 1.00 0.00 WT2 H ATOM 28783 OH2 TIP3 1911 6.046 -0.297 2.478 1.00 0.00 WT2 O ATOM 28784 H1 TIP3 1911 3.770 9.240 -1.742 1.00 0.00 WT2 H ATOM 28785 H2 TIP3 1911 17.096 -1.964 -0.334 1.00 0.00 WT2 H ATOM 28786 OH2 TIP3 1912 5.275 5.105 3.074 1.00 0.00 WT2 O ATOM 28787 H1 TIP3 1912 1.634 6.505 4.673 1.00 0.00 WT2 H ATOM 28788 H2 TIP3 1912 -7.391 -9.541 -4.606 1.00 0.00 WT2 H ATOM 28789 OH2 TIP3 1913 1.349 -1.900 -1.477 1.00 0.00 WT2 O ATOM 28790 H1 TIP3 1913 8.745 7.181 -1.734 1.00 0.00 WT2 H ATOM 28791 H2 TIP3 1913 0.179 3.939 -4.259 1.00 0.00 WT2 H ATOM 28792 OH2 TIP3 1914 -0.562 -6.049 1.634 1.00 0.00 WT2 O ATOM 28793 H1 TIP3 1914 -4.384 1.913 -5.575 1.00 0.00 WT2 H ATOM 28794 H2 TIP3 1914 9.680 -36.133 -9.950 1.00 0.00 WT2 H ATOM 28795 OH2 TIP3 1915 -0.003 -6.366 1.985 1.00 0.00 WT2 O ATOM 28796 H1 TIP3 1915 6.228 -4.858 -12.898 1.00 0.00 WT2 H ATOM 28797 H2 TIP3 1915 2.757 -2.791 2.346 1.00 0.00 WT2 H ATOM 28798 OH2 TIP3 1917 -3.089 -1.193 0.556 1.00 0.00 WT2 O ATOM 28799 H1 TIP3 1917 -6.286 12.305 -3.352 1.00 0.00 WT2 H ATOM 28800 H2 TIP3 1917 12.827 -11.640 2.390 1.00 0.00 WT2 H ATOM 28801 OH2 TIP3 1918 -2.101 0.240 -11.210 1.00 0.00 WT2 O ATOM 28802 H1 TIP3 1918 31.912 13.576 -22.465 1.00 0.00 WT2 H ATOM 28803 H2 TIP3 1918 -11.539 8.448 -12.733 1.00 0.00 WT2 H ATOM 28804 OH2 TIP3 1919 2.315 -0.684 -6.828 1.00 0.00 WT2 O ATOM 28805 H1 TIP3 1919 -0.717 -15.459 -1.801 1.00 0.00 WT2 H ATOM 28806 H2 TIP3 1919 17.970 -8.549 -11.403 1.00 0.00 WT2 H ATOM 28807 OH2 TIP3 1931 2.729 2.057 -6.144 1.00 0.00 WT2 O ATOM 28808 H1 TIP3 1931 32.965 14.168 0.491 1.00 0.00 WT2 H ATOM 28809 H2 TIP3 1931 26.822 28.135 -5.699 1.00 0.00 WT2 H ATOM 28810 OH2 TIP3 1934 -3.160 5.352 0.697 1.00 0.00 WT2 O ATOM 28811 H1 TIP3 1934 11.196 18.266 -9.356 1.00 0.00 WT2 H ATOM 28812 H2 TIP3 1934 12.905 19.686 11.605 1.00 0.00 WT2 H ATOM 28813 OH2 TIP3 1935 2.079 4.447 -0.031 1.00 0.00 WT2 O ATOM 28814 H1 TIP3 1935 23.954 15.817 26.517 1.00 0.00 WT2 H ATOM 28815 H2 TIP3 1935 -9.836 -2.589 -6.816 1.00 0.00 WT2 H ATOM 28816 OH2 TIP3 1936 -0.802 2.838 -5.625 1.00 0.00 WT2 O ATOM 28817 H1 TIP3 1936 2.033 -23.464 -7.711 1.00 0.00 WT2 H ATOM 28818 H2 TIP3 1936 -14.288 -20.044 -13.379 1.00 0.00 WT2 H ATOM 28819 OH2 TIP3 1937 4.179 4.253 -2.504 1.00 0.00 WT2 O ATOM 28820 H1 TIP3 1937 5.249 -10.236 -6.395 1.00 0.00 WT2 H ATOM 28821 H2 TIP3 1937 6.247 -4.457 -10.098 1.00 0.00 WT2 H ATOM 28822 OH2 TIP3 1938 0.462 6.867 1.751 1.00 0.00 WT2 O ATOM 28823 H1 TIP3 1938 12.533 19.322 2.700 1.00 0.00 WT2 H ATOM 28824 H2 TIP3 1938 -4.085 10.156 -5.013 1.00 0.00 WT2 H ATOM 28825 OH2 TIP3 1950 2.200 6.979 2.904 1.00 0.00 WT2 O ATOM 28826 H1 TIP3 1950 0.615 11.043 -5.532 1.00 0.00 WT2 H ATOM 28827 H2 TIP3 1950 5.404 -4.052 8.008 1.00 0.00 WT2 H ATOM 28828 OH2 TIP3 1952 1.114 2.269 -7.290 1.00 0.00 WT2 O ATOM 28829 H1 TIP3 1952 16.140 -2.229 2.597 1.00 0.00 WT2 H ATOM 28830 H2 TIP3 1952 -1.310 11.839 -1.992 1.00 0.00 WT2 H ATOM 28831 OH2 TIP3 1953 4.454 0.323 0.126 1.00 0.00 WT2 O ATOM 28832 H1 TIP3 1953 2.258 10.410 -12.221 1.00 0.00 WT2 H ATOM 28833 H2 TIP3 1953 -4.866 -14.817 -8.340 1.00 0.00 WT2 H ATOM 28834 OH2 TIP3 1954 -0.436 4.573 2.938 1.00 0.00 WT2 O ATOM 28835 H1 TIP3 1954 -23.283 34.103 -9.299 1.00 0.00 WT2 H ATOM 28836 H2 TIP3 1954 -14.054 -3.830 -7.716 1.00 0.00 WT2 H ATOM 28837 OH2 TIP3 1955 8.338 -0.560 -5.289 1.00 0.00 WT2 O ATOM 28838 H1 TIP3 1955 8.786 -10.211 -5.044 1.00 0.00 WT2 H ATOM 28839 H2 TIP3 1955 -12.780 2.827 -16.986 1.00 0.00 WT2 H ATOM 28840 OH2 TIP3 1959 0.565 3.776 2.889 1.00 0.00 WT2 O ATOM 28841 H1 TIP3 1959 20.729 32.890 16.934 1.00 0.00 WT2 H ATOM 28842 H2 TIP3 1959 -7.684 -1.702 13.456 1.00 0.00 WT2 H ATOM 28843 OH2 TIP3 1976 -0.763 -0.037 -2.714 1.00 0.00 WT2 O ATOM 28844 H1 TIP3 1976 -10.370 5.197 17.177 1.00 0.00 WT2 H ATOM 28845 H2 TIP3 1976 -0.661 5.042 0.822 1.00 0.00 WT2 H ATOM 28846 OH2 TIP3 1977 -3.062 -6.451 -1.094 1.00 0.00 WT2 O ATOM 28847 H1 TIP3 1977 -8.970 -5.398 -0.928 1.00 0.00 WT2 H ATOM 28848 H2 TIP3 1977 2.060 -4.140 0.678 1.00 0.00 WT2 H ATOM 28849 OH2 TIP3 1978 8.039 6.102 -4.157 1.00 0.00 WT2 O ATOM 28850 H1 TIP3 1978 -0.021 4.008 -6.471 1.00 0.00 WT2 H ATOM 28851 H2 TIP3 1978 -21.481 -26.641 -3.691 1.00 0.00 WT2 H ATOM 28852 OH2 TIP3 1979 -10.798 3.668 -0.560 1.00 0.00 WT2 O ATOM 28853 H1 TIP3 1979 -9.666 12.735 1.613 1.00 0.00 WT2 H ATOM 28854 H2 TIP3 1979 -7.401 -0.386 7.220 1.00 0.00 WT2 H ATOM 28855 OH2 TIP3 1983 -3.429 -2.056 -8.023 1.00 0.00 WT2 O ATOM 28856 H1 TIP3 1983 -0.980 5.590 1.620 1.00 0.00 WT2 H ATOM 28857 H2 TIP3 1983 -2.104 -13.566 -3.492 1.00 0.00 WT2 H ATOM 28858 OH2 TIP3 1993 8.319 -2.842 1.701 1.00 0.00 WT2 O ATOM 28859 H1 TIP3 1993 3.775 -3.867 -16.376 1.00 0.00 WT2 H ATOM 28860 H2 TIP3 1993 6.060 4.784 6.740 1.00 0.00 WT2 H ATOM 28861 OH2 TIP3 1998 -2.705 0.573 2.826 1.00 0.00 WT2 O ATOM 28862 H1 TIP3 1998 -2.962 -12.385 14.506 1.00 0.00 WT2 H ATOM 28863 H2 TIP3 1998 2.554 3.668 -6.004 1.00 0.00 WT2 H ATOM 28864 OH2 TIP3 1999 1.527 -2.368 -1.930 1.00 0.00 WT2 O ATOM 28865 H1 TIP3 1999 -8.895 -0.591 9.856 1.00 0.00 WT2 H ATOM 28866 H2 TIP3 1999 25.841 7.029 -15.659 1.00 0.00 WT2 H ATOM 28867 OH2 TIP3 2000 0.654 5.351 1.025 1.00 0.00 WT2 O ATOM 28868 H1 TIP3 2000 13.631 3.544 19.978 1.00 0.00 WT2 H ATOM 28869 H2 TIP3 2000 8.366 3.462 8.877 1.00 0.00 WT2 H ATOM 28870 OH2 TIP3 2001 -2.734 -5.132 1.109 1.00 0.00 WT2 O ATOM 28871 H1 TIP3 2001 3.990 9.429 -3.200 1.00 0.00 WT2 H ATOM 28872 H2 TIP3 2001 -10.588 -18.564 -14.132 1.00 0.00 WT2 H ATOM 28873 OH2 TIP3 2002 1.969 3.418 -3.990 1.00 0.00 WT2 O ATOM 28874 H1 TIP3 2002 21.258 2.364 -19.046 1.00 0.00 WT2 H ATOM 28875 H2 TIP3 2002 -1.351 26.445 -8.321 1.00 0.00 WT2 H ATOM 28876 OH2 TIP3 2014 1.555 0.641 3.597 1.00 0.00 WT2 O ATOM 28877 H1 TIP3 2014 -6.064 9.991 -5.212 1.00 0.00 WT2 H ATOM 28878 H2 TIP3 2014 -26.664 23.563 18.206 1.00 0.00 WT2 H ATOM 28879 OH2 TIP3 2016 -3.785 2.216 -1.532 1.00 0.00 WT2 O ATOM 28880 H1 TIP3 2016 0.200 3.392 -12.109 1.00 0.00 WT2 H ATOM 28881 H2 TIP3 2016 -0.905 3.507 -9.254 1.00 0.00 WT2 H ATOM 28882 OH2 TIP3 2018 2.130 1.348 -3.714 1.00 0.00 WT2 O ATOM 28883 H1 TIP3 2018 0.998 -7.661 -8.819 1.00 0.00 WT2 H ATOM 28884 H2 TIP3 2018 0.356 27.746 1.591 1.00 0.00 WT2 H ATOM 28885 OH2 TIP3 2019 0.901 1.974 5.132 1.00 0.00 WT2 O ATOM 28886 H1 TIP3 2019 14.924 -10.992 4.155 1.00 0.00 WT2 H ATOM 28887 H2 TIP3 2019 22.924 -0.247 -1.369 1.00 0.00 WT2 H ATOM 28888 OH2 TIP3 2021 -1.260 -2.792 1.943 1.00 0.00 WT2 O ATOM 28889 H1 TIP3 2021 1.309 -1.577 -5.926 1.00 0.00 WT2 H ATOM 28890 H2 TIP3 2021 3.287 -1.284 -12.130 1.00 0.00 WT2 H ATOM 28891 OH2 TIP3 2022 -1.527 -1.235 0.191 1.00 0.00 WT2 O ATOM 28892 H1 TIP3 2022 -11.023 3.280 -12.515 1.00 0.00 WT2 H ATOM 28893 H2 TIP3 2022 -1.414 9.888 -0.918 1.00 0.00 WT2 H ATOM 28894 OH2 TIP3 2024 -2.201 -2.871 -2.122 1.00 0.00 WT2 O ATOM 28895 H1 TIP3 2024 12.543 10.531 -4.310 1.00 0.00 WT2 H ATOM 28896 H2 TIP3 2024 4.946 9.135 -4.708 1.00 0.00 WT2 H ATOM 28897 OH2 TIP3 2034 -1.009 -2.938 3.464 1.00 0.00 WT2 O ATOM 28898 H1 TIP3 2034 5.415 15.492 -13.674 1.00 0.00 WT2 H ATOM 28899 H2 TIP3 2034 16.278 4.031 18.906 1.00 0.00 WT2 H ATOM 28900 OH2 TIP3 2037 8.309 -7.190 -3.747 1.00 0.00 WT2 O ATOM 28901 H1 TIP3 2037 -8.225 8.201 -32.749 1.00 0.00 WT2 H ATOM 28902 H2 TIP3 2037 10.067 -15.770 -43.188 1.00 0.00 WT2 H ATOM 28903 OH2 TIP3 2038 -0.587 -4.364 -0.950 1.00 0.00 WT2 O ATOM 28904 H1 TIP3 2038 11.830 -0.705 1.870 1.00 0.00 WT2 H ATOM 28905 H2 TIP3 2038 -0.928 -18.596 -2.371 1.00 0.00 WT2 H ATOM 28906 OH2 TIP3 2039 3.130 0.865 8.932 1.00 0.00 WT2 O ATOM 28907 H1 TIP3 2039 -20.625 -10.502 16.611 1.00 0.00 WT2 H ATOM 28908 H2 TIP3 2039 15.913 13.219 -5.716 1.00 0.00 WT2 H ATOM 28909 OH2 TIP3 2040 2.677 -3.197 1.463 1.00 0.00 WT2 O ATOM 28910 H1 TIP3 2040 2.822 3.461 13.092 1.00 0.00 WT2 H ATOM 28911 H2 TIP3 2040 5.247 -15.349 -13.630 1.00 0.00 WT2 H ATOM 28912 OH2 TIP3 2042 -2.384 1.137 -1.216 1.00 0.00 WT2 O ATOM 28913 H1 TIP3 2042 -10.136 8.350 -0.792 1.00 0.00 WT2 H ATOM 28914 H2 TIP3 2042 13.341 -18.631 6.574 1.00 0.00 WT2 H ATOM 28915 OH2 TIP3 2043 2.649 2.287 -1.239 1.00 0.00 WT2 O ATOM 28916 H1 TIP3 2043 10.967 0.813 14.531 1.00 0.00 WT2 H ATOM 28917 H2 TIP3 2043 -13.946 -15.628 9.513 1.00 0.00 WT2 H ATOM 28918 OH2 TIP3 2044 -5.818 -0.007 7.057 1.00 0.00 WT2 O ATOM 28919 H1 TIP3 2044 20.929 -19.240 4.235 1.00 0.00 WT2 H ATOM 28920 H2 TIP3 2044 -5.273 -7.069 35.732 1.00 0.00 WT2 H ATOM 28921 OH2 TIP3 2046 2.608 -4.448 2.368 1.00 0.00 WT2 O ATOM 28922 H1 TIP3 2046 0.479 -6.607 15.649 1.00 0.00 WT2 H ATOM 28923 H2 TIP3 2046 -6.460 -10.987 -2.583 1.00 0.00 WT2 H ATOM 28924 OH2 TIP3 2059 -4.857 -3.878 3.696 1.00 0.00 WT2 O ATOM 28925 H1 TIP3 2059 5.397 -20.082 21.858 1.00 0.00 WT2 H ATOM 28926 H2 TIP3 2059 -4.418 -0.717 -18.534 1.00 0.00 WT2 H ATOM 28927 OH2 TIP3 2060 -4.529 11.119 2.725 1.00 0.00 WT2 O ATOM 28928 H1 TIP3 2060 -0.088 6.803 19.741 1.00 0.00 WT2 H ATOM 28929 H2 TIP3 2060 -4.865 0.073 -4.541 1.00 0.00 WT2 H ATOM 28930 OH2 TIP3 2061 -4.145 6.262 -3.547 1.00 0.00 WT2 O ATOM 28931 H1 TIP3 2061 -8.458 -0.895 -7.004 1.00 0.00 WT2 H ATOM 28932 H2 TIP3 2061 3.150 10.942 -7.707 1.00 0.00 WT2 H ATOM 28933 OH2 TIP3 2062 -3.683 5.568 0.696 1.00 0.00 WT2 O ATOM 28934 H1 TIP3 2062 -27.251 3.262 15.523 1.00 0.00 WT2 H ATOM 28935 H2 TIP3 2062 8.376 4.652 7.522 1.00 0.00 WT2 H ATOM 28936 OH2 TIP3 2063 -8.371 5.463 -3.135 1.00 0.00 WT2 O ATOM 28937 H1 TIP3 2063 8.261 23.154 -8.915 1.00 0.00 WT2 H ATOM 28938 H2 TIP3 2063 -0.652 -16.522 20.317 1.00 0.00 WT2 H ATOM 28939 OH2 TIP3 2064 -1.545 2.842 -10.428 1.00 0.00 WT2 O ATOM 28940 H1 TIP3 2064 -5.789 5.438 -25.453 1.00 0.00 WT2 H ATOM 28941 H2 TIP3 2064 -0.287 9.986 0.869 1.00 0.00 WT2 H ATOM 28942 OH2 TIP3 2066 1.386 4.189 -6.267 1.00 0.00 WT2 O ATOM 28943 H1 TIP3 2066 -3.750 17.752 -4.622 1.00 0.00 WT2 H ATOM 28944 H2 TIP3 2066 14.017 -5.388 12.358 1.00 0.00 WT2 H ATOM 28945 OH2 TIP3 2079 5.648 -2.856 -6.990 1.00 0.00 WT2 O ATOM 28946 H1 TIP3 2079 7.932 -13.619 -20.661 1.00 0.00 WT2 H ATOM 28947 H2 TIP3 2079 -1.067 20.744 20.697 1.00 0.00 WT2 H ATOM 28948 OH2 TIP3 2081 -8.777 4.139 1.845 1.00 0.00 WT2 O ATOM 28949 H1 TIP3 2081 -2.335 -17.802 -4.536 1.00 0.00 WT2 H ATOM 28950 H2 TIP3 2081 10.424 -9.869 -7.368 1.00 0.00 WT2 H ATOM 28951 OH2 TIP3 2082 -2.009 9.906 0.506 1.00 0.00 WT2 O ATOM 28952 H1 TIP3 2082 2.567 1.409 1.224 1.00 0.00 WT2 H ATOM 28953 H2 TIP3 2082 -7.298 21.612 -3.204 1.00 0.00 WT2 H ATOM 28954 OH2 TIP3 2083 6.185 6.069 1.801 1.00 0.00 WT2 O ATOM 28955 H1 TIP3 2083 -1.392 -3.194 4.239 1.00 0.00 WT2 H ATOM 28956 H2 TIP3 2083 12.257 9.387 7.899 1.00 0.00 WT2 H ATOM 28957 OH2 TIP3 2084 -3.196 -5.224 0.814 1.00 0.00 WT2 O ATOM 28958 H1 TIP3 2084 14.149 -13.612 2.670 1.00 0.00 WT2 H ATOM 28959 H2 TIP3 2084 2.806 -10.150 -5.241 1.00 0.00 WT2 H ATOM 28960 OH2 TIP3 2088 -0.688 -1.650 -1.173 1.00 0.00 WT2 O ATOM 28961 H1 TIP3 2088 2.632 14.501 2.148 1.00 0.00 WT2 H ATOM 28962 H2 TIP3 2088 -0.045 14.977 3.741 1.00 0.00 WT2 H ATOM 28963 OH2 TIP3 2101 4.936 0.331 3.481 1.00 0.00 WT2 O ATOM 28964 H1 TIP3 2101 14.474 -12.044 11.241 1.00 0.00 WT2 H ATOM 28965 H2 TIP3 2101 1.888 -2.506 -5.134 1.00 0.00 WT2 H ATOM 28966 OH2 TIP3 2102 -9.103 -0.222 0.510 1.00 0.00 WT2 O ATOM 28967 H1 TIP3 2102 -26.048 10.990 -3.943 1.00 0.00 WT2 H ATOM 28968 H2 TIP3 2102 9.150 -8.794 -15.287 1.00 0.00 WT2 H ATOM 28969 OH2 TIP3 2103 -3.112 -5.563 -4.812 1.00 0.00 WT2 O ATOM 28970 H1 TIP3 2103 -2.318 -10.451 -6.926 1.00 0.00 WT2 H ATOM 28971 H2 TIP3 2103 -17.373 -8.538 -15.322 1.00 0.00 WT2 H ATOM 28972 OH2 TIP3 2104 -1.133 -2.635 -2.148 1.00 0.00 WT2 O ATOM 28973 H1 TIP3 2104 -6.797 -6.283 -4.893 1.00 0.00 WT2 H ATOM 28974 H2 TIP3 2104 12.852 -8.377 -2.284 1.00 0.00 WT2 H ATOM 28975 OH2 TIP3 2105 4.009 8.006 0.777 1.00 0.00 WT2 O ATOM 28976 H1 TIP3 2105 10.147 0.156 -10.706 1.00 0.00 WT2 H ATOM 28977 H2 TIP3 2105 11.223 1.480 34.349 1.00 0.00 WT2 H ATOM 28978 OH2 TIP3 2106 -7.702 -0.466 -0.339 1.00 0.00 WT2 O ATOM 28979 H1 TIP3 2106 -16.740 8.828 14.419 1.00 0.00 WT2 H ATOM 28980 H2 TIP3 2106 -0.880 -7.544 -13.851 1.00 0.00 WT2 H ATOM 28981 OH2 TIP3 2108 -2.993 -4.945 7.479 1.00 0.00 WT2 O ATOM 28982 H1 TIP3 2108 -8.233 -2.754 17.288 1.00 0.00 WT2 H ATOM 28983 H2 TIP3 2108 -5.121 -3.237 10.837 1.00 0.00 WT2 H ATOM 28984 OH2 TIP3 2122 -3.506 2.844 -2.608 1.00 0.00 WT2 O ATOM 28985 H1 TIP3 2122 4.004 8.133 -11.136 1.00 0.00 WT2 H ATOM 28986 H2 TIP3 2122 -16.114 -7.386 -4.621 1.00 0.00 WT2 H ATOM 28987 OH2 TIP3 2123 2.659 -1.242 2.539 1.00 0.00 WT2 O ATOM 28988 H1 TIP3 2123 10.764 -0.235 -14.808 1.00 0.00 WT2 H ATOM 28989 H2 TIP3 2123 -15.632 10.374 1.148 1.00 0.00 WT2 H ATOM 28990 OH2 TIP3 2124 1.449 -5.333 -0.147 1.00 0.00 WT2 O ATOM 28991 H1 TIP3 2124 4.594 -4.803 0.290 1.00 0.00 WT2 H ATOM 28992 H2 TIP3 2124 3.465 -4.986 0.186 1.00 0.00 WT2 H ATOM 28993 OH2 TIP3 2125 6.525 -0.688 3.935 1.00 0.00 WT2 O ATOM 28994 H1 TIP3 2125 27.820 14.061 6.294 1.00 0.00 WT2 H ATOM 28995 H2 TIP3 2125 -10.599 15.883 -6.714 1.00 0.00 WT2 H ATOM 28996 OH2 TIP3 2126 -0.156 -0.038 -0.965 1.00 0.00 WT2 O ATOM 28997 H1 TIP3 2126 -24.609 6.699 -2.743 1.00 0.00 WT2 H ATOM 28998 H2 TIP3 2126 2.934 6.336 -2.904 1.00 0.00 WT2 H ATOM 28999 OH2 TIP3 2128 -3.895 -1.717 -2.506 1.00 0.00 WT2 O ATOM 29000 H1 TIP3 2128 -0.698 6.349 -5.419 1.00 0.00 WT2 H ATOM 29001 H2 TIP3 2128 1.651 12.961 -11.567 1.00 0.00 WT2 H ATOM 29002 OH2 TIP3 2129 0.313 -3.585 -6.871 1.00 0.00 WT2 O ATOM 29003 H1 TIP3 2129 -3.244 -6.189 -6.124 1.00 0.00 WT2 H ATOM 29004 H2 TIP3 2129 -18.951 -21.579 -0.711 1.00 0.00 WT2 H ATOM 29005 OH2 TIP3 2131 -3.641 2.286 -3.585 1.00 0.00 WT2 O ATOM 29006 H1 TIP3 2131 9.407 11.251 13.372 1.00 0.00 WT2 H ATOM 29007 H2 TIP3 2131 2.406 -6.019 -14.086 1.00 0.00 WT2 H ATOM 29008 OH2 TIP3 2143 -5.706 3.022 -4.074 1.00 0.00 WT2 O ATOM 29009 H1 TIP3 2143 -15.708 2.719 13.890 1.00 0.00 WT2 H ATOM 29010 H2 TIP3 2143 -11.728 -10.407 -2.859 1.00 0.00 WT2 H ATOM 29011 OH2 TIP3 2146 0.390 -7.135 -2.121 1.00 0.00 WT2 O ATOM 29012 H1 TIP3 2146 -1.580 -16.246 -5.782 1.00 0.00 WT2 H ATOM 29013 H2 TIP3 2146 9.962 -8.076 1.485 1.00 0.00 WT2 H ATOM 29014 OH2 TIP3 2148 -8.755 -5.510 -0.500 1.00 0.00 WT2 O ATOM 29015 H1 TIP3 2148 16.091 19.256 -2.073 1.00 0.00 WT2 H ATOM 29016 H2 TIP3 2148 15.250 18.279 -2.087 1.00 0.00 WT2 H ATOM 29017 OH2 TIP3 2150 -1.357 5.245 -0.199 1.00 0.00 WT2 O ATOM 29018 H1 TIP3 2150 -20.050 5.816 -25.185 1.00 0.00 WT2 H ATOM 29019 H2 TIP3 2150 -18.047 14.476 -24.552 1.00 0.00 WT2 H ATOM 29020 OH2 TIP3 2152 2.204 -5.697 -0.261 1.00 0.00 WT2 O ATOM 29021 H1 TIP3 2152 -0.307 -13.383 7.989 1.00 0.00 WT2 H ATOM 29022 H2 TIP3 2152 9.357 8.211 -2.080 1.00 0.00 WT2 H ATOM 29023 OH2 TIP3 2163 8.520 -3.859 -4.746 1.00 0.00 WT2 O ATOM 29024 H1 TIP3 2163 1.210 -24.187 25.518 1.00 0.00 WT2 H ATOM 29025 H2 TIP3 2163 3.147 -6.230 -0.984 1.00 0.00 WT2 H ATOM 29026 OH2 TIP3 2164 -2.141 3.870 5.488 1.00 0.00 WT2 O ATOM 29027 H1 TIP3 2164 -4.268 2.489 3.876 1.00 0.00 WT2 H ATOM 29028 H2 TIP3 2164 2.471 5.882 7.857 1.00 0.00 WT2 H ATOM 29029 OH2 TIP3 2165 -1.771 4.503 5.096 1.00 0.00 WT2 O ATOM 29030 H1 TIP3 2165 -6.430 1.042 -5.806 1.00 0.00 WT2 H ATOM 29031 H2 TIP3 2165 4.065 13.739 17.360 1.00 0.00 WT2 H ATOM 29032 OH2 TIP3 2166 -2.212 0.755 0.965 1.00 0.00 WT2 O ATOM 29033 H1 TIP3 2166 -4.408 26.018 16.585 1.00 0.00 WT2 H ATOM 29034 H2 TIP3 2166 -1.482 2.499 1.132 1.00 0.00 WT2 H ATOM 29035 OH2 TIP3 2167 -3.876 -9.264 -1.880 1.00 0.00 WT2 O ATOM 29036 H1 TIP3 2167 -7.787 -20.378 -1.498 1.00 0.00 WT2 H ATOM 29037 H2 TIP3 2167 -2.720 -11.511 -6.699 1.00 0.00 WT2 H ATOM 29038 OH2 TIP3 2168 5.053 3.377 4.782 1.00 0.00 WT2 O ATOM 29039 H1 TIP3 2168 1.651 17.234 -6.929 1.00 0.00 WT2 H ATOM 29040 H2 TIP3 2168 7.054 -7.350 1.568 1.00 0.00 WT2 H ATOM 29041 OH2 TIP3 2169 -3.937 1.969 -0.880 1.00 0.00 WT2 O ATOM 29042 H1 TIP3 2169 24.620 -20.902 -13.330 1.00 0.00 WT2 H ATOM 29043 H2 TIP3 2169 -9.932 -13.897 -1.619 1.00 0.00 WT2 H ATOM 29044 OH2 TIP3 2170 8.817 0.431 -4.194 1.00 0.00 WT2 O ATOM 29045 H1 TIP3 2170 3.855 -17.130 25.942 1.00 0.00 WT2 H ATOM 29046 H2 TIP3 2170 7.970 -4.713 7.603 1.00 0.00 WT2 H ATOM 29047 OH2 TIP3 2183 -0.653 0.357 5.309 1.00 0.00 WT2 O ATOM 29048 H1 TIP3 2183 3.636 4.369 -0.290 1.00 0.00 WT2 H ATOM 29049 H2 TIP3 2183 -0.186 6.922 12.012 1.00 0.00 WT2 H ATOM 29050 OH2 TIP3 2185 0.895 -2.806 2.668 1.00 0.00 WT2 O ATOM 29051 H1 TIP3 2185 11.218 -12.057 7.045 1.00 0.00 WT2 H ATOM 29052 H2 TIP3 2185 -8.912 2.853 -1.228 1.00 0.00 WT2 H ATOM 29053 OH2 TIP3 2186 0.371 4.197 5.191 1.00 0.00 WT2 O ATOM 29054 H1 TIP3 2186 -19.462 -16.434 -2.640 1.00 0.00 WT2 H ATOM 29055 H2 TIP3 2186 0.510 21.084 -4.965 1.00 0.00 WT2 H ATOM 29056 OH2 TIP3 2187 -2.149 0.494 1.463 1.00 0.00 WT2 O ATOM 29057 H1 TIP3 2187 2.127 -0.603 -10.441 1.00 0.00 WT2 H ATOM 29058 H2 TIP3 2187 -8.509 17.873 -11.047 1.00 0.00 WT2 H ATOM 29059 OH2 TIP3 2188 -0.791 -4.401 -0.151 1.00 0.00 WT2 O ATOM 29060 H1 TIP3 2188 21.242 -4.775 -4.062 1.00 0.00 WT2 H ATOM 29061 H2 TIP3 2188 -1.457 -14.025 -23.982 1.00 0.00 WT2 H ATOM 29062 OH2 TIP3 2189 4.692 -3.650 -1.078 1.00 0.00 WT2 O ATOM 29063 H1 TIP3 2189 14.351 21.666 -14.097 1.00 0.00 WT2 H ATOM 29064 H2 TIP3 2189 3.123 -10.676 1.751 1.00 0.00 WT2 H ATOM 29065 OH2 TIP3 2190 -1.398 -3.159 1.867 1.00 0.00 WT2 O ATOM 29066 H1 TIP3 2190 16.496 -5.445 8.646 1.00 0.00 WT2 H ATOM 29067 H2 TIP3 2190 -3.808 -2.066 1.807 1.00 0.00 WT2 H ATOM 29068 OH2 TIP3 2191 3.246 1.942 3.824 1.00 0.00 WT2 O ATOM 29069 H1 TIP3 2191 -27.308 -5.642 -5.327 1.00 0.00 WT2 H ATOM 29070 H2 TIP3 2191 18.611 5.396 7.110 1.00 0.00 WT2 H ATOM 29071 OH2 TIP3 2193 7.254 -3.257 3.031 1.00 0.00 WT2 O ATOM 29072 H1 TIP3 2193 15.731 1.051 1.163 1.00 0.00 WT2 H ATOM 29073 H2 TIP3 2193 -8.063 -12.420 2.939 1.00 0.00 WT2 H ATOM 29074 OH2 TIP3 2205 2.841 0.503 3.715 1.00 0.00 WT2 O ATOM 29075 H1 TIP3 2205 -1.743 0.498 -3.672 1.00 0.00 WT2 H ATOM 29076 H2 TIP3 2205 1.941 3.738 9.102 1.00 0.00 WT2 H ATOM 29077 OH2 TIP3 2206 4.330 2.412 -3.897 1.00 0.00 WT2 O ATOM 29078 H1 TIP3 2206 2.267 -8.767 5.943 1.00 0.00 WT2 H ATOM 29079 H2 TIP3 2206 11.719 5.318 -3.949 1.00 0.00 WT2 H ATOM 29080 OH2 TIP3 2207 2.769 8.575 -3.976 1.00 0.00 WT2 O ATOM 29081 H1 TIP3 2207 2.811 14.087 -12.388 1.00 0.00 WT2 H ATOM 29082 H2 TIP3 2207 11.478 4.079 -5.267 1.00 0.00 WT2 H ATOM 29083 OH2 TIP3 2208 -1.903 1.227 2.275 1.00 0.00 WT2 O ATOM 29084 H1 TIP3 2208 14.324 -2.193 6.034 1.00 0.00 WT2 H ATOM 29085 H2 TIP3 2208 -15.886 4.004 -0.758 1.00 0.00 WT2 H ATOM 29086 OH2 TIP3 2209 4.955 -4.003 -5.322 1.00 0.00 WT2 O ATOM 29087 H1 TIP3 2209 17.437 -15.062 -30.219 1.00 0.00 WT2 H ATOM 29088 H2 TIP3 2209 8.940 -9.423 10.717 1.00 0.00 WT2 H ATOM 29089 OH2 TIP3 2227 2.974 0.335 1.350 1.00 0.00 WT2 O ATOM 29090 H1 TIP3 2227 11.027 -7.326 -4.067 1.00 0.00 WT2 H ATOM 29091 H2 TIP3 2227 20.595 -12.814 -3.955 1.00 0.00 WT2 H ATOM 29092 OH2 TIP3 2228 -1.679 0.085 1.380 1.00 0.00 WT2 O ATOM 29093 H1 TIP3 2228 -6.877 -1.252 0.930 1.00 0.00 WT2 H ATOM 29094 H2 TIP3 2228 1.369 17.542 -14.924 1.00 0.00 WT2 H ATOM 29095 OH2 TIP3 2229 0.431 1.359 2.279 1.00 0.00 WT2 O ATOM 29096 H1 TIP3 2229 7.984 6.517 -17.662 1.00 0.00 WT2 H ATOM 29097 H2 TIP3 2229 2.871 20.508 12.389 1.00 0.00 WT2 H ATOM 29098 OH2 TIP3 2230 0.861 -1.682 -2.104 1.00 0.00 WT2 O ATOM 29099 H1 TIP3 2230 19.297 6.349 15.271 1.00 0.00 WT2 H ATOM 29100 H2 TIP3 2230 -21.907 12.956 1.300 1.00 0.00 WT2 H ATOM 29101 OH2 TIP3 2231 -5.864 -1.495 2.969 1.00 0.00 WT2 O ATOM 29102 H1 TIP3 2231 -12.019 -3.121 9.880 1.00 0.00 WT2 H ATOM 29103 H2 TIP3 2231 8.785 7.941 8.016 1.00 0.00 WT2 H ATOM 29104 OH2 TIP3 2232 1.468 3.927 0.247 1.00 0.00 WT2 O ATOM 29105 H1 TIP3 2232 17.978 -0.348 8.713 1.00 0.00 WT2 H ATOM 29106 H2 TIP3 2232 -14.221 7.640 9.282 1.00 0.00 WT2 H ATOM 29107 OH2 TIP3 2233 2.886 -3.138 -5.967 1.00 0.00 WT2 O ATOM 29108 H1 TIP3 2233 -9.358 -0.586 -11.885 1.00 0.00 WT2 H ATOM 29109 H2 TIP3 2233 -13.696 -0.008 -13.907 1.00 0.00 WT2 H ATOM 29110 OH2 TIP3 2244 6.358 4.202 -2.765 1.00 0.00 WT2 O ATOM 29111 H1 TIP3 2244 4.816 1.111 3.274 1.00 0.00 WT2 H ATOM 29112 H2 TIP3 2244 6.448 -2.702 -12.045 1.00 0.00 WT2 H ATOM 29113 OH2 TIP3 2250 4.563 -3.903 -1.109 1.00 0.00 WT2 O ATOM 29114 H1 TIP3 2250 -7.127 -11.208 -14.821 1.00 0.00 WT2 H ATOM 29115 H2 TIP3 2250 -2.186 11.448 -7.556 1.00 0.00 WT2 H ATOM 29116 OH2 TIP3 2251 -8.822 1.243 -5.473 1.00 0.00 WT2 O ATOM 29117 H1 TIP3 2251 -6.720 1.895 -4.475 1.00 0.00 WT2 H ATOM 29118 H2 TIP3 2251 -0.219 -4.455 -2.362 1.00 0.00 WT2 H ATOM 29119 OH2 TIP3 2252 -1.944 7.189 2.266 1.00 0.00 WT2 O ATOM 29120 H1 TIP3 2252 -3.288 -8.767 13.591 1.00 0.00 WT2 H ATOM 29121 H2 TIP3 2252 -12.394 0.629 9.419 1.00 0.00 WT2 H ATOM 29122 OH2 TIP3 2253 -3.856 -1.998 1.088 1.00 0.00 WT2 O ATOM 29123 H1 TIP3 2253 -7.616 -2.379 -0.421 1.00 0.00 WT2 H ATOM 29124 H2 TIP3 2253 -4.392 -0.914 5.481 1.00 0.00 WT2 H ATOM 29125 OH2 TIP3 2254 0.564 8.663 5.596 1.00 0.00 WT2 O ATOM 29126 H1 TIP3 2254 -10.645 15.450 -0.682 1.00 0.00 WT2 H ATOM 29127 H2 TIP3 2254 -1.647 13.752 13.440 1.00 0.00 WT2 H ATOM 29128 OH2 TIP3 2255 3.864 -3.372 -0.458 1.00 0.00 WT2 O ATOM 29129 H1 TIP3 2255 2.636 -3.885 -4.192 1.00 0.00 WT2 H ATOM 29130 H2 TIP3 2255 -10.343 -21.840 -13.183 1.00 0.00 WT2 H ATOM 29131 OH2 TIP3 2269 0.409 -9.424 -4.507 1.00 0.00 WT2 O ATOM 29132 H1 TIP3 2269 -5.178 -9.604 -8.116 1.00 0.00 WT2 H ATOM 29133 H2 TIP3 2269 14.420 -8.538 -0.514 1.00 0.00 WT2 H ATOM 29134 OH2 TIP3 2270 2.125 -5.000 -4.815 1.00 0.00 WT2 O ATOM 29135 H1 TIP3 2270 23.101 -4.417 -3.344 1.00 0.00 WT2 H ATOM 29136 H2 TIP3 2270 -3.963 -3.771 -7.245 1.00 0.00 WT2 H ATOM 29137 OH2 TIP3 2271 -3.395 -0.436 2.511 1.00 0.00 WT2 O ATOM 29138 H1 TIP3 2271 -3.962 -1.455 -0.065 1.00 0.00 WT2 H ATOM 29139 H2 TIP3 2271 -11.720 -7.542 -21.147 1.00 0.00 WT2 H ATOM 29140 OH2 TIP3 2272 0.046 -3.890 -6.029 1.00 0.00 WT2 O ATOM 29141 H1 TIP3 2272 -8.729 3.431 -11.995 1.00 0.00 WT2 H ATOM 29142 H2 TIP3 2272 -8.624 3.282 -11.920 1.00 0.00 WT2 H ATOM 29143 OH2 TIP3 2273 8.146 -4.951 4.764 1.00 0.00 WT2 O ATOM 29144 H1 TIP3 2273 -2.278 -1.006 -9.626 1.00 0.00 WT2 H ATOM 29145 H2 TIP3 2273 -13.333 -4.524 25.196 1.00 0.00 WT2 H ATOM 29146 OH2 TIP3 2274 -3.221 4.135 0.206 1.00 0.00 WT2 O ATOM 29147 H1 TIP3 2274 -3.755 3.959 11.127 1.00 0.00 WT2 H ATOM 29148 H2 TIP3 2274 11.900 11.257 5.620 1.00 0.00 WT2 H ATOM 29149 OH2 TIP3 2275 3.777 -0.591 -6.823 1.00 0.00 WT2 O ATOM 29150 H1 TIP3 2275 -21.544 -16.656 16.440 1.00 0.00 WT2 H ATOM 29151 H2 TIP3 2275 1.849 -3.211 2.173 1.00 0.00 WT2 H ATOM 29152 OH2 TIP3 2276 -4.449 -4.381 10.165 1.00 0.00 WT2 O ATOM 29153 H1 TIP3 2276 -8.457 -16.527 -9.705 1.00 0.00 WT2 H ATOM 29154 H2 TIP3 2276 16.805 -13.468 16.783 1.00 0.00 WT2 H ATOM 29155 OH2 TIP3 2277 0.113 -8.099 -2.934 1.00 0.00 WT2 O ATOM 29156 H1 TIP3 2277 -7.780 -12.221 -11.305 1.00 0.00 WT2 H ATOM 29157 H2 TIP3 2277 -3.396 -15.802 -7.797 1.00 0.00 WT2 H ATOM 29158 OH2 TIP3 2280 8.794 -0.115 1.514 1.00 0.00 WT2 O ATOM 29159 H1 TIP3 2280 4.406 -18.981 24.066 1.00 0.00 WT2 H ATOM 29160 H2 TIP3 2280 -18.523 15.961 -7.247 1.00 0.00 WT2 H ATOM 29161 OH2 TIP3 2288 5.342 -1.417 -2.613 1.00 0.00 WT2 O ATOM 29162 H1 TIP3 2288 -0.282 -3.285 -30.111 1.00 0.00 WT2 H ATOM 29163 H2 TIP3 2288 9.679 37.722 -7.412 1.00 0.00 WT2 H ATOM 29164 OH2 TIP3 2290 3.657 -0.966 0.098 1.00 0.00 WT2 O ATOM 29165 H1 TIP3 2290 3.818 -0.485 -0.721 1.00 0.00 WT2 H ATOM 29166 H2 TIP3 2290 18.707 1.160 -25.592 1.00 0.00 WT2 H ATOM 29167 OH2 TIP3 2292 -2.173 3.286 0.592 1.00 0.00 WT2 O ATOM 29168 H1 TIP3 2292 22.578 -7.035 24.117 1.00 0.00 WT2 H ATOM 29169 H2 TIP3 2292 13.098 -2.109 9.649 1.00 0.00 WT2 H ATOM 29170 OH2 TIP3 2293 2.269 -2.560 3.411 1.00 0.00 WT2 O ATOM 29171 H1 TIP3 2293 7.099 -9.162 10.058 1.00 0.00 WT2 H ATOM 29172 H2 TIP3 2293 -5.144 0.892 5.916 1.00 0.00 WT2 H ATOM 29173 OH2 TIP3 2294 2.504 5.424 0.784 1.00 0.00 WT2 O ATOM 29174 H1 TIP3 2294 21.424 -6.353 1.742 1.00 0.00 WT2 H ATOM 29175 H2 TIP3 2294 -4.855 -7.542 5.900 1.00 0.00 WT2 H ATOM 29176 OH2 TIP3 2296 -0.084 3.256 -2.236 1.00 0.00 WT2 O ATOM 29177 H1 TIP3 2296 -9.163 13.070 -9.917 1.00 0.00 WT2 H ATOM 29178 H2 TIP3 2296 5.198 -12.115 -4.645 1.00 0.00 WT2 H ATOM 29179 OH2 TIP3 2309 -3.203 2.899 7.523 1.00 0.00 WT2 O ATOM 29180 H1 TIP3 2309 -0.373 28.040 -0.563 1.00 0.00 WT2 H ATOM 29181 H2 TIP3 2309 -10.225 -12.307 -10.213 1.00 0.00 WT2 H ATOM 29182 OH2 TIP3 2311 0.651 0.878 2.481 1.00 0.00 WT2 O ATOM 29183 H1 TIP3 2311 14.484 6.066 9.181 1.00 0.00 WT2 H ATOM 29184 H2 TIP3 2311 4.960 -4.959 -8.165 1.00 0.00 WT2 H ATOM 29185 OH2 TIP3 2312 -0.638 4.394 3.123 1.00 0.00 WT2 O ATOM 29186 H1 TIP3 2312 6.642 13.551 16.651 1.00 0.00 WT2 H ATOM 29187 H2 TIP3 2312 -1.473 13.360 -10.839 1.00 0.00 WT2 H ATOM 29188 OH2 TIP3 2313 0.438 -3.297 -3.667 1.00 0.00 WT2 O ATOM 29189 H1 TIP3 2313 0.934 3.397 -5.580 1.00 0.00 WT2 H ATOM 29190 H2 TIP3 2313 -4.790 6.421 0.752 1.00 0.00 WT2 H ATOM 29191 OH2 TIP3 2314 -3.090 -1.794 1.038 1.00 0.00 WT2 O ATOM 29192 H1 TIP3 2314 -6.440 -12.868 -6.389 1.00 0.00 WT2 H ATOM 29193 H2 TIP3 2314 -9.777 7.234 -4.013 1.00 0.00 WT2 H ATOM 29194 OH2 TIP3 2315 2.785 0.228 1.613 1.00 0.00 WT2 O ATOM 29195 H1 TIP3 2315 5.521 0.099 4.753 1.00 0.00 WT2 H ATOM 29196 H2 TIP3 2315 -4.405 -3.437 1.713 1.00 0.00 WT2 H ATOM 29197 OH2 TIP3 2316 -3.395 5.430 1.798 1.00 0.00 WT2 O ATOM 29198 H1 TIP3 2316 -5.932 4.481 -4.828 1.00 0.00 WT2 H ATOM 29199 H2 TIP3 2316 -23.362 9.402 -2.061 1.00 0.00 WT2 H ATOM 29200 OH2 TIP3 2317 2.917 1.916 4.513 1.00 0.00 WT2 O ATOM 29201 H1 TIP3 2317 -5.856 13.847 14.719 1.00 0.00 WT2 H ATOM 29202 H2 TIP3 2317 6.700 1.451 10.262 1.00 0.00 WT2 H ATOM 29203 OH2 TIP3 2318 -2.341 -0.559 2.932 1.00 0.00 WT2 O ATOM 29204 H1 TIP3 2318 -17.080 23.195 5.543 1.00 0.00 WT2 H ATOM 29205 H2 TIP3 2318 19.659 4.073 -11.759 1.00 0.00 WT2 H ATOM 29206 OH2 TIP3 2319 -5.273 1.406 5.715 1.00 0.00 WT2 O ATOM 29207 H1 TIP3 2319 -13.804 8.438 -15.329 1.00 0.00 WT2 H ATOM 29208 H2 TIP3 2319 -3.010 -1.355 11.589 1.00 0.00 WT2 H ATOM 29209 OH2 TIP3 2329 0.624 -1.941 -1.701 1.00 0.00 WT2 O ATOM 29210 H1 TIP3 2329 -13.028 4.290 -12.609 1.00 0.00 WT2 H ATOM 29211 H2 TIP3 2329 -11.424 6.874 -8.471 1.00 0.00 WT2 H ATOM 29212 OH2 TIP3 2331 -4.317 0.677 -5.136 1.00 0.00 WT2 O ATOM 29213 H1 TIP3 2331 -1.814 -9.750 -18.222 1.00 0.00 WT2 H ATOM 29214 H2 TIP3 2331 -2.428 -1.364 -10.221 1.00 0.00 WT2 H ATOM 29215 OH2 TIP3 2332 1.822 -2.770 3.848 1.00 0.00 WT2 O ATOM 29216 H1 TIP3 2332 16.324 -13.112 -0.210 1.00 0.00 WT2 H ATOM 29217 H2 TIP3 2332 6.062 1.678 -16.246 1.00 0.00 WT2 H ATOM 29218 OH2 TIP3 2333 1.029 1.378 -1.253 1.00 0.00 WT2 O ATOM 29219 H1 TIP3 2333 5.287 -2.512 -20.560 1.00 0.00 WT2 H ATOM 29220 H2 TIP3 2333 -0.282 9.259 -9.792 1.00 0.00 WT2 H ATOM 29221 OH2 TIP3 2335 -7.623 -0.873 -6.242 1.00 0.00 WT2 O ATOM 29222 H1 TIP3 2335 -6.631 17.463 -13.548 1.00 0.00 WT2 H ATOM 29223 H2 TIP3 2335 -8.034 6.979 -7.601 1.00 0.00 WT2 H ATOM 29224 OH2 TIP3 2336 -2.886 -0.073 -1.780 1.00 0.00 WT2 O ATOM 29225 H1 TIP3 2336 3.447 3.364 -17.392 1.00 0.00 WT2 H ATOM 29226 H2 TIP3 2336 -7.979 -1.114 3.161 1.00 0.00 WT2 H ATOM 29227 OH2 TIP3 2337 3.893 -5.092 3.389 1.00 0.00 WT2 O ATOM 29228 H1 TIP3 2337 -8.356 -3.212 10.154 1.00 0.00 WT2 H ATOM 29229 H2 TIP3 2337 17.341 -18.983 -27.507 1.00 0.00 WT2 H ATOM 29230 OH2 TIP3 2338 -0.788 0.226 6.749 1.00 0.00 WT2 O ATOM 29231 H1 TIP3 2338 8.546 -3.160 8.259 1.00 0.00 WT2 H ATOM 29232 H2 TIP3 2338 1.013 5.484 9.349 1.00 0.00 WT2 H ATOM 29233 OH2 TIP3 2339 -6.167 6.623 0.047 1.00 0.00 WT2 O ATOM 29234 H1 TIP3 2339 -0.065 9.529 -2.935 1.00 0.00 WT2 H ATOM 29235 H2 TIP3 2339 0.961 10.116 -4.229 1.00 0.00 WT2 H ATOM 29236 OH2 TIP3 2351 2.906 1.744 -5.323 1.00 0.00 WT2 O ATOM 29237 H1 TIP3 2351 8.277 2.161 4.954 1.00 0.00 WT2 H ATOM 29238 H2 TIP3 2351 12.041 5.230 -10.172 1.00 0.00 WT2 H ATOM 29239 OH2 TIP3 2352 2.839 5.352 -3.167 1.00 0.00 WT2 O ATOM 29240 H1 TIP3 2352 9.849 -16.060 25.647 1.00 0.00 WT2 H ATOM 29241 H2 TIP3 2352 15.456 5.260 18.010 1.00 0.00 WT2 H ATOM 29242 OH2 TIP3 2354 3.279 5.257 -0.079 1.00 0.00 WT2 O ATOM 29243 H1 TIP3 2354 -17.075 -0.374 5.254 1.00 0.00 WT2 H ATOM 29244 H2 TIP3 2354 -6.354 25.671 11.181 1.00 0.00 WT2 H ATOM 29245 OH2 TIP3 2355 -1.084 5.404 0.835 1.00 0.00 WT2 O ATOM 29246 H1 TIP3 2355 -1.839 3.027 -3.383 1.00 0.00 WT2 H ATOM 29247 H2 TIP3 2355 2.941 -0.635 6.770 1.00 0.00 WT2 H ATOM 29248 OH2 TIP3 2357 3.027 -1.623 4.467 1.00 0.00 WT2 O ATOM 29249 H1 TIP3 2357 5.976 -1.995 12.928 1.00 0.00 WT2 H ATOM 29250 H2 TIP3 2357 2.059 1.009 8.473 1.00 0.00 WT2 H ATOM 29251 OH2 TIP3 2358 -6.231 -0.379 1.266 1.00 0.00 WT2 O ATOM 29252 H1 TIP3 2358 -18.316 13.548 5.377 1.00 0.00 WT2 H ATOM 29253 H2 TIP3 2358 -17.143 18.564 7.501 1.00 0.00 WT2 H ATOM 29254 OH2 TIP3 2359 1.064 -3.630 -0.197 1.00 0.00 WT2 O ATOM 29255 H1 TIP3 2359 12.170 1.235 -15.573 1.00 0.00 WT2 H ATOM 29256 H2 TIP3 2359 -25.627 7.815 8.353 1.00 0.00 WT2 H ATOM 29257 OH2 TIP3 2376 -0.672 4.221 5.464 1.00 0.00 WT2 O ATOM 29258 H1 TIP3 2376 -5.135 8.671 0.575 1.00 0.00 WT2 H ATOM 29259 H2 TIP3 2376 -14.598 6.189 7.684 1.00 0.00 WT2 H ATOM 29260 OH2 TIP3 2377 -5.273 -4.622 4.718 1.00 0.00 WT2 O ATOM 29261 H1 TIP3 2377 -3.994 3.379 22.118 1.00 0.00 WT2 H ATOM 29262 H2 TIP3 2377 -14.012 -14.858 5.740 1.00 0.00 WT2 H ATOM 29263 OH2 TIP3 2378 -5.967 2.168 2.303 1.00 0.00 WT2 O ATOM 29264 H1 TIP3 2378 -3.729 -14.250 18.941 1.00 0.00 WT2 H ATOM 29265 H2 TIP3 2378 5.060 22.249 10.998 1.00 0.00 WT2 H ATOM 29266 OH2 TIP3 2380 -4.909 2.923 -2.287 1.00 0.00 WT2 O ATOM 29267 H1 TIP3 2380 -12.127 -4.140 -5.107 1.00 0.00 WT2 H ATOM 29268 H2 TIP3 2380 -1.276 6.681 -0.136 1.00 0.00 WT2 H ATOM 29269 OH2 TIP3 2395 0.848 0.074 1.399 1.00 0.00 WT2 O ATOM 29270 H1 TIP3 2395 -8.011 -14.792 -1.913 1.00 0.00 WT2 H ATOM 29271 H2 TIP3 2395 -8.801 9.210 12.659 1.00 0.00 WT2 H ATOM 29272 OH2 TIP3 2397 -1.984 2.656 2.302 1.00 0.00 WT2 O ATOM 29273 H1 TIP3 2397 -5.552 14.865 -15.040 1.00 0.00 WT2 H ATOM 29274 H2 TIP3 2397 -13.999 20.096 18.783 1.00 0.00 WT2 H ATOM 29275 OH2 TIP3 2398 -2.946 1.980 -0.969 1.00 0.00 WT2 O ATOM 29276 H1 TIP3 2398 -7.328 -0.625 -24.177 1.00 0.00 WT2 H ATOM 29277 H2 TIP3 2398 -3.865 -17.031 8.962 1.00 0.00 WT2 H ATOM 29278 OH2 TIP3 2399 5.514 -0.214 0.620 1.00 0.00 WT2 O ATOM 29279 H1 TIP3 2399 -12.467 -13.448 8.520 1.00 0.00 WT2 H ATOM 29280 H2 TIP3 2399 10.276 5.320 11.409 1.00 0.00 WT2 H ATOM 29281 OH2 TIP3 2400 3.005 -0.146 -0.874 1.00 0.00 WT2 O ATOM 29282 H1 TIP3 2400 -8.080 -0.905 -15.233 1.00 0.00 WT2 H ATOM 29283 H2 TIP3 2400 2.860 2.247 0.773 1.00 0.00 WT2 H ATOM 29284 OH2 TIP3 2416 -1.871 -2.500 -0.537 1.00 0.00 WT2 O ATOM 29285 H1 TIP3 2416 -4.042 -1.198 -2.585 1.00 0.00 WT2 H ATOM 29286 H2 TIP3 2416 8.452 -22.663 21.064 1.00 0.00 WT2 H ATOM 29287 OH2 TIP3 2417 -8.717 -4.487 -7.498 1.00 0.00 WT2 O ATOM 29288 H1 TIP3 2417 -12.130 -14.938 -2.571 1.00 0.00 WT2 H ATOM 29289 H2 TIP3 2417 -18.000 -8.642 -8.010 1.00 0.00 WT2 H ATOM 29290 OH2 TIP3 2418 3.799 4.390 -2.633 1.00 0.00 WT2 O ATOM 29291 H1 TIP3 2418 -11.833 -1.331 -2.057 1.00 0.00 WT2 H ATOM 29292 H2 TIP3 2418 -8.245 -1.331 -10.826 1.00 0.00 WT2 H ATOM 29293 OH2 TIP3 2419 -0.159 -3.467 0.152 1.00 0.00 WT2 O ATOM 29294 H1 TIP3 2419 8.724 8.542 -2.520 1.00 0.00 WT2 H ATOM 29295 H2 TIP3 2419 -1.880 5.886 -1.437 1.00 0.00 WT2 H ATOM 29296 OH2 TIP3 2421 6.948 -5.911 2.669 1.00 0.00 WT2 O ATOM 29297 H1 TIP3 2421 -5.615 -11.858 6.166 1.00 0.00 WT2 H ATOM 29298 H2 TIP3 2421 19.897 18.691 10.819 1.00 0.00 WT2 H ATOM 29299 OH2 TIP3 2423 -7.506 -2.910 3.000 1.00 0.00 WT2 O ATOM 29300 H1 TIP3 2423 6.494 2.429 -13.711 1.00 0.00 WT2 H ATOM 29301 H2 TIP3 2423 -5.338 5.965 -9.114 1.00 0.00 WT2 H ATOM 29302 OH2 TIP3 2436 -4.603 -2.943 5.742 1.00 0.00 WT2 O ATOM 29303 H1 TIP3 2436 -10.498 17.740 -0.399 1.00 0.00 WT2 H ATOM 29304 H2 TIP3 2436 -1.973 5.027 3.257 1.00 0.00 WT2 H ATOM 29305 OH2 TIP3 2438 -0.431 0.511 -0.293 1.00 0.00 WT2 O ATOM 29306 H1 TIP3 2438 -10.588 -4.428 -4.278 1.00 0.00 WT2 H ATOM 29307 H2 TIP3 2438 -9.600 -7.294 2.118 1.00 0.00 WT2 H ATOM 29308 OH2 TIP3 2440 -2.495 -4.180 -4.143 1.00 0.00 WT2 O ATOM 29309 H1 TIP3 2440 -3.176 -4.661 -4.394 1.00 0.00 WT2 H ATOM 29310 H2 TIP3 2440 23.539 20.847 -0.941 1.00 0.00 WT2 H ATOM 29311 OH2 TIP3 2441 2.385 8.194 3.211 1.00 0.00 WT2 O ATOM 29312 H1 TIP3 2441 -8.149 14.865 -13.773 1.00 0.00 WT2 H ATOM 29313 H2 TIP3 2441 -2.971 2.306 7.370 1.00 0.00 WT2 H ATOM 29314 OH2 TIP3 2442 -7.849 1.281 0.657 1.00 0.00 WT2 O ATOM 29315 H1 TIP3 2442 5.449 9.260 -3.274 1.00 0.00 WT2 H ATOM 29316 H2 TIP3 2442 17.613 22.108 17.514 1.00 0.00 WT2 H ATOM 29317 OH2 TIP3 2447 -7.354 -3.193 3.551 1.00 0.00 WT2 O ATOM 29318 H1 TIP3 2447 -14.434 2.160 10.743 1.00 0.00 WT2 H ATOM 29319 H2 TIP3 2447 -8.920 -5.950 7.630 1.00 0.00 WT2 H ATOM 29320 OH2 TIP3 2458 3.723 2.679 3.960 1.00 0.00 WT2 O ATOM 29321 H1 TIP3 2458 10.643 1.692 5.380 1.00 0.00 WT2 H ATOM 29322 H2 TIP3 2458 9.457 -3.457 11.906 1.00 0.00 WT2 H ATOM 29323 OH2 TIP3 2459 -1.005 -2.486 -8.689 1.00 0.00 WT2 O ATOM 29324 H1 TIP3 2459 -9.763 -5.710 -5.187 1.00 0.00 WT2 H ATOM 29325 H2 TIP3 2459 -21.510 -10.471 -7.677 1.00 0.00 WT2 H ATOM 29326 OH2 TIP3 2460 -2.870 1.929 -1.766 1.00 0.00 WT2 O ATOM 29327 H1 TIP3 2460 -23.148 -7.614 -6.054 1.00 0.00 WT2 H ATOM 29328 H2 TIP3 2460 -4.412 -0.579 10.597 1.00 0.00 WT2 H ATOM 29329 OH2 TIP3 2461 -1.933 -3.242 4.048 1.00 0.00 WT2 O ATOM 29330 H1 TIP3 2461 -3.389 14.322 -7.127 1.00 0.00 WT2 H ATOM 29331 H2 TIP3 2461 13.026 -0.209 -2.826 1.00 0.00 WT2 H ATOM 29332 OH2 TIP3 2463 4.610 3.443 -2.940 1.00 0.00 WT2 O ATOM 29333 H1 TIP3 2463 -2.380 1.046 -12.948 1.00 0.00 WT2 H ATOM 29334 H2 TIP3 2463 3.912 24.008 -33.514 1.00 0.00 WT2 H ATOM 29335 OH2 TIP3 2465 -8.402 3.021 -1.380 1.00 0.00 WT2 O ATOM 29336 H1 TIP3 2465 -9.353 -13.590 -1.791 1.00 0.00 WT2 H ATOM 29337 H2 TIP3 2465 -13.104 10.303 -15.236 1.00 0.00 WT2 H ATOM 29338 OH2 TIP3 2477 -0.553 -5.207 2.807 1.00 0.00 WT2 O ATOM 29339 H1 TIP3 2477 -6.359 -0.744 -2.493 1.00 0.00 WT2 H ATOM 29340 H2 TIP3 2477 1.617 -8.843 4.120 1.00 0.00 WT2 H ATOM 29341 OH2 TIP3 2480 2.454 8.882 -3.305 1.00 0.00 WT2 O ATOM 29342 H1 TIP3 2480 -14.945 8.996 -14.002 1.00 0.00 WT2 H ATOM 29343 H2 TIP3 2480 7.164 -7.280 12.617 1.00 0.00 WT2 H ATOM 29344 OH2 TIP3 2482 0.157 4.390 -0.348 1.00 0.00 WT2 O ATOM 29345 H1 TIP3 2482 0.494 15.185 7.907 1.00 0.00 WT2 H ATOM 29346 H2 TIP3 2482 -2.755 9.311 -0.082 1.00 0.00 WT2 H ATOM 29347 OH2 TIP3 2483 0.547 -0.578 -5.900 1.00 0.00 WT2 O ATOM 29348 H1 TIP3 2483 4.592 4.339 6.827 1.00 0.00 WT2 H ATOM 29349 H2 TIP3 2483 3.550 -8.918 -3.489 1.00 0.00 WT2 H ATOM 29350 OH2 TIP3 2484 3.408 -3.253 -2.438 1.00 0.00 WT2 O ATOM 29351 H1 TIP3 2484 15.165 10.922 -11.928 1.00 0.00 WT2 H ATOM 29352 H2 TIP3 2484 1.914 -11.559 10.385 1.00 0.00 WT2 H ATOM 29353 OH2 TIP3 2499 -3.774 2.326 0.640 1.00 0.00 WT2 O ATOM 29354 H1 TIP3 2499 -19.808 20.089 -2.363 1.00 0.00 WT2 H ATOM 29355 H2 TIP3 2499 16.135 26.125 -3.901 1.00 0.00 WT2 H ATOM 29356 OH2 TIP3 2500 0.127 4.299 -0.197 1.00 0.00 WT2 O ATOM 29357 H1 TIP3 2500 -2.497 4.863 -12.446 1.00 0.00 WT2 H ATOM 29358 H2 TIP3 2500 -1.250 -0.982 8.336 1.00 0.00 WT2 H ATOM 29359 OH2 TIP3 2503 -3.710 0.303 4.173 1.00 0.00 WT2 O ATOM 29360 H1 TIP3 2503 10.883 -11.662 11.615 1.00 0.00 WT2 H ATOM 29361 H2 TIP3 2503 -7.718 2.460 -35.316 1.00 0.00 WT2 H ATOM 29362 OH2 TIP3 2508 1.091 -0.847 -4.453 1.00 0.00 WT2 O ATOM 29363 H1 TIP3 2508 5.525 -6.171 1.831 1.00 0.00 WT2 H ATOM 29364 H2 TIP3 2508 -25.427 0.799 -21.979 1.00 0.00 WT2 H ATOM 29365 OH2 TIP3 2519 -0.711 2.196 6.402 1.00 0.00 WT2 O ATOM 29366 H1 TIP3 2519 6.939 4.018 5.206 1.00 0.00 WT2 H ATOM 29367 H2 TIP3 2519 -1.314 3.454 1.340 1.00 0.00 WT2 H ATOM 29368 OH2 TIP3 2521 7.924 -4.400 5.350 1.00 0.00 WT2 O ATOM 29369 H1 TIP3 2521 -9.310 18.421 10.306 1.00 0.00 WT2 H ATOM 29370 H2 TIP3 2521 10.538 24.417 0.693 1.00 0.00 WT2 H ATOM 29371 OH2 TIP3 2522 -1.377 4.587 -4.660 1.00 0.00 WT2 O ATOM 29372 H1 TIP3 2522 11.716 3.784 -12.931 1.00 0.00 WT2 H ATOM 29373 H2 TIP3 2522 17.862 16.044 -11.564 1.00 0.00 WT2 H ATOM 29374 OH2 TIP3 2523 1.169 1.753 2.117 1.00 0.00 WT2 O ATOM 29375 H1 TIP3 2523 -8.056 -12.488 -10.675 1.00 0.00 WT2 H ATOM 29376 H2 TIP3 2523 3.530 6.485 4.085 1.00 0.00 WT2 H ATOM 29377 OH2 TIP3 2525 5.834 -0.932 -4.879 1.00 0.00 WT2 O ATOM 29378 H1 TIP3 2525 -4.400 -6.388 11.474 1.00 0.00 WT2 H ATOM 29379 H2 TIP3 2525 -8.814 10.402 -3.137 1.00 0.00 WT2 H ATOM 29380 OH2 TIP3 2526 1.287 -0.758 7.358 1.00 0.00 WT2 O ATOM 29381 H1 TIP3 2526 0.391 40.027 0.927 1.00 0.00 WT2 H ATOM 29382 H2 TIP3 2526 -12.240 -8.864 -7.058 1.00 0.00 WT2 H ATOM 29383 OH2 TIP3 2527 -2.215 4.010 -2.878 1.00 0.00 WT2 O ATOM 29384 H1 TIP3 2527 -4.456 7.162 4.933 1.00 0.00 WT2 H ATOM 29385 H2 TIP3 2527 -7.654 -16.537 -1.058 1.00 0.00 WT2 H ATOM 29386 OH2 TIP3 2528 9.475 1.411 -0.008 1.00 0.00 WT2 O ATOM 29387 H1 TIP3 2528 22.994 5.983 12.883 1.00 0.00 WT2 H ATOM 29388 H2 TIP3 2528 -9.997 -10.918 -2.446 1.00 0.00 WT2 H ATOM 29389 OH2 TIP3 2529 -10.504 1.702 4.189 1.00 0.00 WT2 O ATOM 29390 H1 TIP3 2529 -17.852 2.456 8.316 1.00 0.00 WT2 H ATOM 29391 H2 TIP3 2529 -6.705 6.300 -0.251 1.00 0.00 WT2 H ATOM 29392 OH2 TIP3 2539 1.719 2.419 5.393 1.00 0.00 WT2 O ATOM 29393 H1 TIP3 2539 3.413 -9.725 1.054 1.00 0.00 WT2 H ATOM 29394 H2 TIP3 2539 7.249 1.004 10.871 1.00 0.00 WT2 H ATOM 29395 OH2 TIP3 2540 -1.192 0.425 -1.798 1.00 0.00 WT2 O ATOM 29396 H1 TIP3 2540 0.415 -2.689 -10.088 1.00 0.00 WT2 H ATOM 29397 H2 TIP3 2540 -5.218 -5.048 -8.863 1.00 0.00 WT2 H ATOM 29398 OH2 TIP3 2541 2.386 -2.774 -3.897 1.00 0.00 WT2 O ATOM 29399 H1 TIP3 2541 -26.360 -9.477 9.738 1.00 0.00 WT2 H ATOM 29400 H2 TIP3 2541 11.311 -0.919 -10.386 1.00 0.00 WT2 H ATOM 29401 OH2 TIP3 2544 0.212 1.161 3.336 1.00 0.00 WT2 O ATOM 29402 H1 TIP3 2544 5.427 -10.534 15.470 1.00 0.00 WT2 H ATOM 29403 H2 TIP3 2544 12.545 17.418 5.107 1.00 0.00 WT2 H ATOM 29404 OH2 TIP3 2545 -0.788 8.967 -2.657 1.00 0.00 WT2 O ATOM 29405 H1 TIP3 2545 5.026 7.535 -5.026 1.00 0.00 WT2 H ATOM 29406 H2 TIP3 2545 1.759 11.791 -2.660 1.00 0.00 WT2 H ATOM 29407 OH2 TIP3 2547 2.926 -4.985 1.284 1.00 0.00 WT2 O ATOM 29408 H1 TIP3 2547 18.009 1.466 15.674 1.00 0.00 WT2 H ATOM 29409 H2 TIP3 2547 -15.985 -3.626 14.756 1.00 0.00 WT2 H ATOM 29410 OH2 TIP3 2548 4.791 0.311 -6.195 1.00 0.00 WT2 O ATOM 29411 H1 TIP3 2548 7.813 9.619 -5.327 1.00 0.00 WT2 H ATOM 29412 H2 TIP3 2548 12.537 -6.937 1.019 1.00 0.00 WT2 H ATOM 29413 OH2 TIP3 2562 4.728 -0.767 -1.379 1.00 0.00 WT2 O ATOM 29414 H1 TIP3 2562 9.673 -4.226 7.157 1.00 0.00 WT2 H ATOM 29415 H2 TIP3 2562 5.286 2.487 8.490 1.00 0.00 WT2 H ATOM 29416 OH2 TIP3 2563 -0.101 3.303 1.185 1.00 0.00 WT2 O ATOM 29417 H1 TIP3 2563 15.572 -20.419 -5.587 1.00 0.00 WT2 H ATOM 29418 H2 TIP3 2563 1.394 11.136 4.000 1.00 0.00 WT2 H ATOM 29419 OH2 TIP3 2564 7.927 3.959 0.239 1.00 0.00 WT2 O ATOM 29420 H1 TIP3 2564 14.608 3.426 10.048 1.00 0.00 WT2 H ATOM 29421 H2 TIP3 2564 12.976 -7.171 -22.898 1.00 0.00 WT2 H ATOM 29422 OH2 TIP3 2565 -0.834 7.003 1.770 1.00 0.00 WT2 O ATOM 29423 H1 TIP3 2565 -0.817 4.992 -2.941 1.00 0.00 WT2 H ATOM 29424 H2 TIP3 2565 -2.384 4.695 6.056 1.00 0.00 WT2 H ATOM 29425 OH2 TIP3 2566 1.825 -0.606 10.339 1.00 0.00 WT2 O ATOM 29426 H1 TIP3 2566 16.295 4.252 25.580 1.00 0.00 WT2 H ATOM 29427 H2 TIP3 2566 -7.899 -1.877 14.120 1.00 0.00 WT2 H ATOM 29428 OH2 TIP3 2567 -4.416 -2.739 0.976 1.00 0.00 WT2 O ATOM 29429 H1 TIP3 2567 -8.532 1.620 4.019 1.00 0.00 WT2 H ATOM 29430 H2 TIP3 2567 0.146 -8.063 -3.620 1.00 0.00 WT2 H ATOM 29431 OH2 TIP3 2570 -2.033 9.619 -4.386 1.00 0.00 WT2 O ATOM 29432 H1 TIP3 2570 10.034 8.183 1.134 1.00 0.00 WT2 H ATOM 29433 H2 TIP3 2570 5.023 6.728 8.747 1.00 0.00 WT2 H ATOM 29434 OH2 TIP3 2573 3.390 5.351 0.575 1.00 0.00 WT2 O ATOM 29435 H1 TIP3 2573 2.024 -2.723 -0.432 1.00 0.00 WT2 H ATOM 29436 H2 TIP3 2573 0.581 -2.492 -0.888 1.00 0.00 WT2 H ATOM 29437 OH2 TIP3 2580 -3.907 3.648 -4.749 1.00 0.00 WT2 O ATOM 29438 H1 TIP3 2580 -4.916 -5.074 20.112 1.00 0.00 WT2 H ATOM 29439 H2 TIP3 2580 -13.465 -7.917 -29.098 1.00 0.00 WT2 H ATOM 29440 OH2 TIP3 2582 2.171 -0.836 4.397 1.00 0.00 WT2 O ATOM 29441 H1 TIP3 2582 -6.572 13.931 27.008 1.00 0.00 WT2 H ATOM 29442 H2 TIP3 2582 -12.591 7.969 16.597 1.00 0.00 WT2 H ATOM 29443 OH2 TIP3 2584 -0.877 8.758 4.395 1.00 0.00 WT2 O ATOM 29444 H1 TIP3 2584 -8.320 3.429 -16.100 1.00 0.00 WT2 H ATOM 29445 H2 TIP3 2584 -13.101 3.573 10.162 1.00 0.00 WT2 H ATOM 29446 OH2 TIP3 2588 3.294 -2.835 -0.649 1.00 0.00 WT2 O ATOM 29447 H1 TIP3 2588 -5.572 3.463 5.849 1.00 0.00 WT2 H ATOM 29448 H2 TIP3 2588 12.244 -20.159 -4.356 1.00 0.00 WT2 H ATOM 29449 OH2 TIP3 2589 1.968 -3.640 -5.837 1.00 0.00 WT2 O ATOM 29450 H1 TIP3 2589 0.958 -10.742 -14.144 1.00 0.00 WT2 H ATOM 29451 H2 TIP3 2589 10.797 -2.016 -1.037 1.00 0.00 WT2 H ATOM 29452 OH2 TIP3 2606 4.511 3.331 -0.433 1.00 0.00 WT2 O ATOM 29453 H1 TIP3 2606 3.083 -0.976 4.162 1.00 0.00 WT2 H ATOM 29454 H2 TIP3 2606 5.710 12.390 18.618 1.00 0.00 WT2 H ATOM 29455 OH2 TIP3 2607 0.585 -0.701 -2.156 1.00 0.00 WT2 O ATOM 29456 H1 TIP3 2607 -0.677 1.617 8.299 1.00 0.00 WT2 H ATOM 29457 H2 TIP3 2607 1.610 -1.498 -3.602 1.00 0.00 WT2 H ATOM 29458 OH2 TIP3 2608 2.892 -6.111 3.766 1.00 0.00 WT2 O ATOM 29459 H1 TIP3 2608 1.357 15.100 0.941 1.00 0.00 WT2 H ATOM 29460 H2 TIP3 2608 3.252 6.973 37.798 1.00 0.00 WT2 H ATOM 29461 OH2 TIP3 2610 5.657 -0.738 0.789 1.00 0.00 WT2 O ATOM 29462 H1 TIP3 2610 -5.583 1.190 -11.159 1.00 0.00 WT2 H ATOM 29463 H2 TIP3 2610 9.889 -1.265 1.825 1.00 0.00 WT2 H ATOM 29464 OH2 TIP3 2628 -0.307 -3.042 -1.962 1.00 0.00 WT2 O ATOM 29465 H1 TIP3 2628 2.278 15.702 2.738 1.00 0.00 WT2 H ATOM 29466 H2 TIP3 2628 -4.704 -14.362 -5.030 1.00 0.00 WT2 H ATOM 29467 OH2 TIP3 2631 -6.223 1.471 1.600 1.00 0.00 WT2 O ATOM 29468 H1 TIP3 2631 -2.036 -0.923 -10.342 1.00 0.00 WT2 H ATOM 29469 H2 TIP3 2631 -10.440 5.687 -6.950 1.00 0.00 WT2 H ATOM 29470 OH2 TIP3 2632 2.769 1.199 1.522 1.00 0.00 WT2 O ATOM 29471 H1 TIP3 2632 11.101 -3.612 -5.956 1.00 0.00 WT2 H ATOM 29472 H2 TIP3 2632 9.872 6.111 0.550 1.00 0.00 WT2 H ATOM 29473 OH2 TIP3 2634 4.770 -6.262 2.033 1.00 0.00 WT2 O ATOM 29474 H1 TIP3 2634 -7.209 7.610 10.269 1.00 0.00 WT2 H ATOM 29475 H2 TIP3 2634 18.900 -1.852 5.781 1.00 0.00 WT2 H ATOM 29476 OH2 TIP3 2635 3.180 0.444 1.810 1.00 0.00 WT2 O ATOM 29477 H1 TIP3 2635 4.140 -2.142 3.840 1.00 0.00 WT2 H ATOM 29478 H2 TIP3 2635 13.214 -14.844 6.082 1.00 0.00 WT2 H ATOM 29479 OH2 TIP3 2643 2.220 6.537 -3.834 1.00 0.00 WT2 O ATOM 29480 H1 TIP3 2643 -12.373 18.695 -3.768 1.00 0.00 WT2 H ATOM 29481 H2 TIP3 2643 -0.571 -3.289 -19.027 1.00 0.00 WT2 H ATOM 29482 OH2 TIP3 2648 -1.486 1.408 2.314 1.00 0.00 WT2 O ATOM 29483 H1 TIP3 2648 7.378 9.942 -3.971 1.00 0.00 WT2 H ATOM 29484 H2 TIP3 2648 -4.609 -2.235 -3.221 1.00 0.00 WT2 H ATOM 29485 OH2 TIP3 2649 -1.186 -4.910 -0.501 1.00 0.00 WT2 O ATOM 29486 H1 TIP3 2649 15.899 -16.914 -2.225 1.00 0.00 WT2 H ATOM 29487 H2 TIP3 2649 -2.082 3.458 11.705 1.00 0.00 WT2 H ATOM 29488 OH2 TIP3 2650 -3.032 -1.198 5.766 1.00 0.00 WT2 O ATOM 29489 H1 TIP3 2650 1.692 12.018 16.390 1.00 0.00 WT2 H ATOM 29490 H2 TIP3 2650 2.815 -3.276 -4.253 1.00 0.00 WT2 H ATOM 29491 OH2 TIP3 2651 -1.250 1.390 4.635 1.00 0.00 WT2 O ATOM 29492 H1 TIP3 2651 -19.935 -0.763 4.149 1.00 0.00 WT2 H ATOM 29493 H2 TIP3 2651 8.545 16.057 12.305 1.00 0.00 WT2 H ATOM 29494 OH2 TIP3 2653 1.669 0.528 -1.300 1.00 0.00 WT2 O ATOM 29495 H1 TIP3 2653 4.677 3.802 -1.701 1.00 0.00 WT2 H ATOM 29496 H2 TIP3 2653 5.679 -17.994 -24.999 1.00 0.00 WT2 H ATOM 29497 OH2 TIP3 2654 -1.373 6.661 4.283 1.00 0.00 WT2 O ATOM 29498 H1 TIP3 2654 7.317 10.770 3.663 1.00 0.00 WT2 H ATOM 29499 H2 TIP3 2654 1.387 -7.218 20.154 1.00 0.00 WT2 H ATOM 29500 OH2 TIP3 2655 -0.028 3.491 -2.915 1.00 0.00 WT2 O ATOM 29501 H1 TIP3 2655 -7.281 20.113 -6.307 1.00 0.00 WT2 H ATOM 29502 H2 TIP3 2655 12.916 -15.126 7.960 1.00 0.00 WT2 H ATOM 29503 OH2 TIP3 2667 -0.622 -1.256 0.030 1.00 0.00 WT2 O ATOM 29504 H1 TIP3 2667 22.468 -12.289 -14.219 1.00 0.00 WT2 H ATOM 29505 H2 TIP3 2667 2.529 -10.716 29.995 1.00 0.00 WT2 H ATOM 29506 OH2 TIP3 2668 2.325 -2.538 -0.535 1.00 0.00 WT2 O ATOM 29507 H1 TIP3 2668 4.220 -15.321 -8.166 1.00 0.00 WT2 H ATOM 29508 H2 TIP3 2668 6.703 -11.716 20.190 1.00 0.00 WT2 H ATOM 29509 OH2 TIP3 2669 -4.878 -5.079 -2.795 1.00 0.00 WT2 O ATOM 29510 H1 TIP3 2669 -13.082 -11.131 -2.158 1.00 0.00 WT2 H ATOM 29511 H2 TIP3 2669 -5.098 -15.150 -2.111 1.00 0.00 WT2 H ATOM 29512 OH2 TIP3 2670 1.238 4.633 -5.465 1.00 0.00 WT2 O ATOM 29513 H1 TIP3 2670 -11.581 5.631 0.395 1.00 0.00 WT2 H ATOM 29514 H2 TIP3 2670 17.912 7.187 -17.707 1.00 0.00 WT2 H ATOM 29515 OH2 TIP3 2672 1.326 -2.046 1.979 1.00 0.00 WT2 O ATOM 29516 H1 TIP3 2672 9.062 -12.535 0.199 1.00 0.00 WT2 H ATOM 29517 H2 TIP3 2672 3.052 -3.310 1.624 1.00 0.00 WT2 H ATOM 29518 OH2 TIP3 2673 4.784 1.266 -4.369 1.00 0.00 WT2 O ATOM 29519 H1 TIP3 2673 1.143 -2.095 -1.786 1.00 0.00 WT2 H ATOM 29520 H2 TIP3 2673 -3.725 -6.525 1.130 1.00 0.00 WT2 H ATOM 29521 OH2 TIP3 2674 -2.414 1.590 -5.081 1.00 0.00 WT2 O ATOM 29522 H1 TIP3 2674 -18.889 -7.974 -49.160 1.00 0.00 WT2 H ATOM 29523 H2 TIP3 2674 4.492 7.871 9.774 1.00 0.00 WT2 H ATOM 29524 OH2 TIP3 2676 4.831 -5.315 2.257 1.00 0.00 WT2 O ATOM 29525 H1 TIP3 2676 -9.528 -5.103 1.866 1.00 0.00 WT2 H ATOM 29526 H2 TIP3 2676 21.382 8.780 -0.989 1.00 0.00 WT2 H ATOM 29527 OH2 TIP3 2689 0.510 -3.346 -2.181 1.00 0.00 WT2 O ATOM 29528 H1 TIP3 2689 -9.782 -2.783 -20.737 1.00 0.00 WT2 H ATOM 29529 H2 TIP3 2689 -4.511 3.569 -16.566 1.00 0.00 WT2 H ATOM 29530 OH2 TIP3 2690 -0.870 5.693 -0.494 1.00 0.00 WT2 O ATOM 29531 H1 TIP3 2690 -2.997 15.008 1.078 1.00 0.00 WT2 H ATOM 29532 H2 TIP3 2690 -4.497 25.797 -14.493 1.00 0.00 WT2 H ATOM 29533 OH2 TIP3 2691 -2.203 1.110 -7.249 1.00 0.00 WT2 O ATOM 29534 H1 TIP3 2691 -0.820 -0.097 -10.086 1.00 0.00 WT2 H ATOM 29535 H2 TIP3 2691 -0.419 16.007 -10.921 1.00 0.00 WT2 H ATOM 29536 OH2 TIP3 2692 -0.212 2.475 -1.647 1.00 0.00 WT2 O ATOM 29537 H1 TIP3 2692 7.477 1.294 -17.511 1.00 0.00 WT2 H ATOM 29538 H2 TIP3 2692 -2.713 -12.619 20.814 1.00 0.00 WT2 H ATOM 29539 OH2 TIP3 2694 1.882 5.568 -1.558 1.00 0.00 WT2 O ATOM 29540 H1 TIP3 2694 -13.573 6.719 23.048 1.00 0.00 WT2 H ATOM 29541 H2 TIP3 2694 -9.701 2.322 12.001 1.00 0.00 WT2 H ATOM 29542 OH2 TIP3 2695 1.685 -6.104 1.862 1.00 0.00 WT2 O ATOM 29543 H1 TIP3 2695 -19.564 5.296 -2.151 1.00 0.00 WT2 H ATOM 29544 H2 TIP3 2695 -5.840 8.689 0.940 1.00 0.00 WT2 H ATOM 29545 OH2 TIP3 2697 -6.135 -1.135 1.423 1.00 0.00 WT2 O ATOM 29546 H1 TIP3 2697 -20.871 -4.219 -14.649 1.00 0.00 WT2 H ATOM 29547 H2 TIP3 2697 9.193 -3.264 -13.523 1.00 0.00 WT2 H ATOM 29548 OH2 TIP3 2701 0.545 4.943 6.461 1.00 0.00 WT2 O ATOM 29549 H1 TIP3 2701 7.071 9.857 3.641 1.00 0.00 WT2 H ATOM 29550 H2 TIP3 2701 0.101 -2.486 13.454 1.00 0.00 WT2 H ATOM 29551 OH2 TIP3 2709 -0.218 -7.437 2.602 1.00 0.00 WT2 O ATOM 29552 H1 TIP3 2709 18.791 11.181 6.722 1.00 0.00 WT2 H ATOM 29553 H2 TIP3 2709 -24.942 -7.383 -14.949 1.00 0.00 WT2 H ATOM 29554 OH2 TIP3 2710 0.211 -0.722 0.643 1.00 0.00 WT2 O ATOM 29555 H1 TIP3 2710 -11.548 21.880 -11.320 1.00 0.00 WT2 H ATOM 29556 H2 TIP3 2710 11.391 3.548 17.186 1.00 0.00 WT2 H ATOM 29557 OH2 TIP3 2712 4.936 2.543 -0.019 1.00 0.00 WT2 O ATOM 29558 H1 TIP3 2712 4.398 0.462 -0.069 1.00 0.00 WT2 H ATOM 29559 H2 TIP3 2712 3.209 3.368 -0.923 1.00 0.00 WT2 H ATOM 29560 OH2 TIP3 2713 2.385 -1.963 -4.323 1.00 0.00 WT2 O ATOM 29561 H1 TIP3 2713 10.667 0.032 -5.917 1.00 0.00 WT2 H ATOM 29562 H2 TIP3 2713 6.273 -4.308 1.227 1.00 0.00 WT2 H ATOM 29563 OH2 TIP3 2714 1.496 3.862 5.670 1.00 0.00 WT2 O ATOM 29564 H1 TIP3 2714 16.209 16.802 -18.943 1.00 0.00 WT2 H ATOM 29565 H2 TIP3 2714 2.651 26.839 17.988 1.00 0.00 WT2 H ATOM 29566 OH2 TIP3 2715 0.464 5.014 3.985 1.00 0.00 WT2 O ATOM 29567 H1 TIP3 2715 -0.474 -1.734 -6.377 1.00 0.00 WT2 H ATOM 29568 H2 TIP3 2715 7.581 2.223 4.386 1.00 0.00 WT2 H ATOM 29569 OH2 TIP3 2717 -3.562 1.190 2.439 1.00 0.00 WT2 O ATOM 29570 H1 TIP3 2717 -7.804 -3.381 -2.389 1.00 0.00 WT2 H ATOM 29571 H2 TIP3 2717 -3.412 5.159 7.734 1.00 0.00 WT2 H ATOM 29572 OH2 TIP3 2732 -1.548 7.106 -6.272 1.00 0.00 WT2 O ATOM 29573 H1 TIP3 2732 11.611 23.506 11.027 1.00 0.00 WT2 H ATOM 29574 H2 TIP3 2732 18.892 -1.785 -21.049 1.00 0.00 WT2 H ATOM 29575 OH2 TIP3 2734 -2.916 -0.892 -4.074 1.00 0.00 WT2 O ATOM 29576 H1 TIP3 2734 -3.703 14.367 -16.182 1.00 0.00 WT2 H ATOM 29577 H2 TIP3 2734 -2.811 -11.544 1.587 1.00 0.00 WT2 H ATOM 29578 OH2 TIP3 2735 -0.337 -3.222 -2.236 1.00 0.00 WT2 O ATOM 29579 H1 TIP3 2735 -2.892 -13.239 -1.030 1.00 0.00 WT2 H ATOM 29580 H2 TIP3 2735 12.309 1.129 -10.886 1.00 0.00 WT2 H ATOM 29581 OH2 TIP3 2736 -1.530 2.262 -0.272 1.00 0.00 WT2 O ATOM 29582 H1 TIP3 2736 -13.432 -3.845 -12.445 1.00 0.00 WT2 H ATOM 29583 H2 TIP3 2736 -0.466 9.678 14.667 1.00 0.00 WT2 H ATOM 29584 OH2 TIP3 2753 0.434 0.200 -5.782 1.00 0.00 WT2 O ATOM 29585 H1 TIP3 2753 33.985 -8.641 3.469 1.00 0.00 WT2 H ATOM 29586 H2 TIP3 2753 -22.924 15.130 -16.742 1.00 0.00 WT2 H ATOM 29587 OH2 TIP3 2754 -0.403 -2.875 4.126 1.00 0.00 WT2 O ATOM 29588 H1 TIP3 2754 0.015 -1.578 -0.677 1.00 0.00 WT2 H ATOM 29589 H2 TIP3 2754 4.452 4.358 -26.398 1.00 0.00 WT2 H ATOM 29590 OH2 TIP3 2755 -2.072 -3.476 -1.472 1.00 0.00 WT2 O ATOM 29591 H1 TIP3 2755 14.457 18.149 -23.907 1.00 0.00 WT2 H ATOM 29592 H2 TIP3 2755 0.088 -6.014 7.888 1.00 0.00 WT2 H ATOM 29593 OH2 TIP3 2757 -2.597 -0.999 -2.301 1.00 0.00 WT2 O ATOM 29594 H1 TIP3 2757 7.118 -5.504 -0.594 1.00 0.00 WT2 H ATOM 29595 H2 TIP3 2757 -7.100 11.027 -5.142 1.00 0.00 WT2 H ATOM 29596 OH2 TIP3 2758 -10.382 3.295 -3.156 1.00 0.00 WT2 O ATOM 29597 H1 TIP3 2758 -30.836 -3.799 11.055 1.00 0.00 WT2 H ATOM 29598 H2 TIP3 2758 3.502 9.540 -9.067 1.00 0.00 WT2 H ATOM 29599 OH2 TIP3 2771 6.769 -0.042 2.739 1.00 0.00 WT2 O ATOM 29600 H1 TIP3 2771 6.226 2.266 17.561 1.00 0.00 WT2 H ATOM 29601 H2 TIP3 2771 4.709 -2.276 7.977 1.00 0.00 WT2 H ATOM 29602 OH2 TIP3 2773 -0.767 1.378 5.908 1.00 0.00 WT2 O ATOM 29603 H1 TIP3 2773 -1.441 3.163 14.915 1.00 0.00 WT2 H ATOM 29604 H2 TIP3 2773 13.074 -0.507 -9.080 1.00 0.00 WT2 H ATOM 29605 OH2 TIP3 2774 0.668 1.399 -0.536 1.00 0.00 WT2 O ATOM 29606 H1 TIP3 2774 -2.055 7.709 -3.340 1.00 0.00 WT2 H ATOM 29607 H2 TIP3 2774 -7.975 -2.805 -1.227 1.00 0.00 WT2 H ATOM 29608 OH2 TIP3 2775 -3.203 0.807 -1.911 1.00 0.00 WT2 O ATOM 29609 H1 TIP3 2775 -15.223 -26.395 1.949 1.00 0.00 WT2 H ATOM 29610 H2 TIP3 2775 10.967 29.914 -9.270 1.00 0.00 WT2 H ATOM 29611 OH2 TIP3 2776 4.566 4.221 -3.265 1.00 0.00 WT2 O ATOM 29612 H1 TIP3 2776 8.280 3.708 7.397 1.00 0.00 WT2 H ATOM 29613 H2 TIP3 2776 7.986 -0.313 -9.236 1.00 0.00 WT2 H ATOM 29614 OH2 TIP3 2777 -0.290 -4.923 -1.301 1.00 0.00 WT2 O ATOM 29615 H1 TIP3 2777 13.260 0.730 -6.593 1.00 0.00 WT2 H ATOM 29616 H2 TIP3 2777 11.693 -8.035 14.949 1.00 0.00 WT2 H ATOM 29617 OH2 TIP3 2778 3.141 -2.607 -8.285 1.00 0.00 WT2 O ATOM 29618 H1 TIP3 2778 4.138 -6.436 5.192 1.00 0.00 WT2 H ATOM 29619 H2 TIP3 2778 8.597 11.311 -9.435 1.00 0.00 WT2 H ATOM 29620 OH2 TIP3 2781 -1.501 -6.843 -2.089 1.00 0.00 WT2 O ATOM 29621 H1 TIP3 2781 -14.102 -26.320 -8.211 1.00 0.00 WT2 H ATOM 29622 H2 TIP3 2781 -20.158 -2.340 -0.054 1.00 0.00 WT2 H ATOM 29623 OH2 TIP3 2793 1.233 -1.069 1.416 1.00 0.00 WT2 O ATOM 29624 H1 TIP3 2793 24.704 -6.330 -4.224 1.00 0.00 WT2 H ATOM 29625 H2 TIP3 2793 1.922 -4.742 -3.149 1.00 0.00 WT2 H ATOM 29626 OH2 TIP3 2794 -2.435 -2.223 6.508 1.00 0.00 WT2 O ATOM 29627 H1 TIP3 2794 0.579 -6.730 -3.590 1.00 0.00 WT2 H ATOM 29628 H2 TIP3 2794 -4.804 -9.982 10.759 1.00 0.00 WT2 H ATOM 29629 OH2 TIP3 2795 -4.668 0.935 -0.620 1.00 0.00 WT2 O ATOM 29630 H1 TIP3 2795 9.542 -2.240 9.349 1.00 0.00 WT2 H ATOM 29631 H2 TIP3 2795 4.756 -2.516 9.587 1.00 0.00 WT2 H ATOM 29632 OH2 TIP3 2796 1.463 1.654 -2.498 1.00 0.00 WT2 O ATOM 29633 H1 TIP3 2796 22.193 11.625 -7.452 1.00 0.00 WT2 H ATOM 29634 H2 TIP3 2796 -4.560 3.245 -15.213 1.00 0.00 WT2 H ATOM 29635 OH2 TIP3 2797 -6.602 2.678 -2.688 1.00 0.00 WT2 O ATOM 29636 H1 TIP3 2797 5.735 -29.291 -2.323 1.00 0.00 WT2 H ATOM 29637 H2 TIP3 2797 12.740 17.221 -14.113 1.00 0.00 WT2 H ATOM 29638 OH2 TIP3 2798 -4.035 -6.539 -2.509 1.00 0.00 WT2 O ATOM 29639 H1 TIP3 2798 -11.471 -0.510 -17.785 1.00 0.00 WT2 H ATOM 29640 H2 TIP3 2798 3.750 -3.885 6.030 1.00 0.00 WT2 H ATOM 29641 OH2 TIP3 2802 -2.820 -3.216 -0.846 1.00 0.00 WT2 O ATOM 29642 H1 TIP3 2802 -23.475 -21.628 0.747 1.00 0.00 WT2 H ATOM 29643 H2 TIP3 2802 -6.053 -4.639 -0.240 1.00 0.00 WT2 H ATOM 29644 OH2 TIP3 2814 -2.966 -1.629 0.772 1.00 0.00 WT2 O ATOM 29645 H1 TIP3 2814 1.995 3.197 -9.992 1.00 0.00 WT2 H ATOM 29646 H2 TIP3 2814 -4.216 -22.815 -2.925 1.00 0.00 WT2 H ATOM 29647 OH2 TIP3 2815 1.119 -2.473 -5.311 1.00 0.00 WT2 O ATOM 29648 H1 TIP3 2815 13.276 12.962 4.631 1.00 0.00 WT2 H ATOM 29649 H2 TIP3 2815 -15.562 -15.519 -19.138 1.00 0.00 WT2 H ATOM 29650 OH2 TIP3 2817 -10.482 -4.755 7.676 1.00 0.00 WT2 O ATOM 29651 H1 TIP3 2817 3.872 2.016 22.901 1.00 0.00 WT2 H ATOM 29652 H2 TIP3 2817 -0.942 16.836 15.216 1.00 0.00 WT2 H ATOM 29653 OH2 TIP3 2818 -0.328 -3.623 4.638 1.00 0.00 WT2 O ATOM 29654 H1 TIP3 2818 -1.012 6.812 0.820 1.00 0.00 WT2 H ATOM 29655 H2 TIP3 2818 3.896 12.274 -3.359 1.00 0.00 WT2 H ATOM 29656 OH2 TIP3 2819 0.300 -1.103 0.282 1.00 0.00 WT2 O ATOM 29657 H1 TIP3 2819 -8.637 3.087 2.275 1.00 0.00 WT2 H ATOM 29658 H2 TIP3 2819 0.408 -6.593 9.379 1.00 0.00 WT2 H ATOM 29659 OH2 TIP3 2820 -0.792 0.519 -0.804 1.00 0.00 WT2 O ATOM 29660 H1 TIP3 2820 4.655 -3.312 1.640 1.00 0.00 WT2 H ATOM 29661 H2 TIP3 2820 -4.234 7.487 -13.905 1.00 0.00 WT2 H ATOM 29662 OH2 TIP3 2821 -8.827 0.535 -0.636 1.00 0.00 WT2 O ATOM 29663 H1 TIP3 2821 -10.154 -0.175 -9.038 1.00 0.00 WT2 H ATOM 29664 H2 TIP3 2821 -11.214 10.457 1.924 1.00 0.00 WT2 H ATOM 29665 OH2 TIP3 2822 0.975 -1.720 -5.812 1.00 0.00 WT2 O ATOM 29666 H1 TIP3 2822 -1.696 -18.041 -2.278 1.00 0.00 WT2 H ATOM 29667 H2 TIP3 2822 1.269 -0.097 10.563 1.00 0.00 WT2 H ATOM 29668 OH2 TIP3 2823 1.259 -2.134 -7.346 1.00 0.00 WT2 O ATOM 29669 H1 TIP3 2823 10.586 -8.498 2.544 1.00 0.00 WT2 H ATOM 29670 H2 TIP3 2823 0.295 -4.606 -7.594 1.00 0.00 WT2 H ATOM 29671 OH2 TIP3 2832 6.748 4.149 -7.116 1.00 0.00 WT2 O ATOM 29672 H1 TIP3 2832 1.972 8.070 -12.696 1.00 0.00 WT2 H ATOM 29673 H2 TIP3 2832 0.802 14.054 1.895 1.00 0.00 WT2 H ATOM 29674 OH2 TIP3 2838 1.663 -0.437 -1.943 1.00 0.00 WT2 O ATOM 29675 H1 TIP3 2838 -3.574 -10.785 -2.978 1.00 0.00 WT2 H ATOM 29676 H2 TIP3 2838 3.849 2.485 19.098 1.00 0.00 WT2 H ATOM 29677 OH2 TIP3 2839 -2.850 0.418 -1.466 1.00 0.00 WT2 O ATOM 29678 H1 TIP3 2839 1.921 31.496 14.247 1.00 0.00 WT2 H ATOM 29679 H2 TIP3 2839 -31.415 -15.055 -7.872 1.00 0.00 WT2 H ATOM 29680 OH2 TIP3 2840 0.361 5.569 -1.363 1.00 0.00 WT2 O ATOM 29681 H1 TIP3 2840 -1.104 -15.548 4.171 1.00 0.00 WT2 H ATOM 29682 H2 TIP3 2840 7.729 7.525 -15.121 1.00 0.00 WT2 H ATOM 29683 OH2 TIP3 2841 3.750 0.512 0.593 1.00 0.00 WT2 O ATOM 29684 H1 TIP3 2841 1.840 -4.325 -1.343 1.00 0.00 WT2 H ATOM 29685 H2 TIP3 2841 -1.602 -11.720 -10.643 1.00 0.00 WT2 H ATOM 29686 OH2 TIP3 2842 -2.240 -1.676 8.987 1.00 0.00 WT2 O ATOM 29687 H1 TIP3 2842 -2.983 2.929 3.176 1.00 0.00 WT2 H ATOM 29688 H2 TIP3 2842 -5.158 0.788 9.945 1.00 0.00 WT2 H ATOM 29689 OH2 TIP3 2843 -4.148 -1.036 -3.776 1.00 0.00 WT2 O ATOM 29690 H1 TIP3 2843 -10.133 -9.284 -2.112 1.00 0.00 WT2 H ATOM 29691 H2 TIP3 2843 -2.580 8.846 9.703 1.00 0.00 WT2 H ATOM 29692 OH2 TIP3 2857 0.710 -7.092 0.197 1.00 0.00 WT2 O ATOM 29693 H1 TIP3 2857 0.315 -3.289 7.578 1.00 0.00 WT2 H ATOM 29694 H2 TIP3 2857 22.546 -5.905 -21.534 1.00 0.00 WT2 H ATOM 29695 OH2 TIP3 2859 5.547 0.051 -5.697 1.00 0.00 WT2 O ATOM 29696 H1 TIP3 2859 16.675 7.965 -12.733 1.00 0.00 WT2 H ATOM 29697 H2 TIP3 2859 2.748 3.913 -3.667 1.00 0.00 WT2 H ATOM 29698 OH2 TIP3 2862 -1.033 2.247 1.985 1.00 0.00 WT2 O ATOM 29699 H1 TIP3 2862 6.767 -9.596 -6.903 1.00 0.00 WT2 H ATOM 29700 H2 TIP3 2862 5.050 -5.717 20.369 1.00 0.00 WT2 H ATOM 29701 OH2 TIP3 2863 -4.902 -4.108 -7.619 1.00 0.00 WT2 O ATOM 29702 H1 TIP3 2863 8.344 7.433 8.768 1.00 0.00 WT2 H ATOM 29703 H2 TIP3 2863 0.672 4.451 -29.984 1.00 0.00 WT2 H ATOM 29704 OH2 TIP3 2877 0.505 7.286 -0.779 1.00 0.00 WT2 O ATOM 29705 H1 TIP3 2877 -10.496 12.268 -14.243 1.00 0.00 WT2 H ATOM 29706 H2 TIP3 2877 15.851 0.585 -9.263 1.00 0.00 WT2 H ATOM 29707 OH2 TIP3 2878 5.467 -0.249 -1.284 1.00 0.00 WT2 O ATOM 29708 H1 TIP3 2878 14.143 4.793 -7.559 1.00 0.00 WT2 H ATOM 29709 H2 TIP3 2878 0.306 -8.377 -9.500 1.00 0.00 WT2 H ATOM 29710 OH2 TIP3 2880 -10.671 4.776 -0.332 1.00 0.00 WT2 O ATOM 29711 H1 TIP3 2880 29.833 8.665 -23.788 1.00 0.00 WT2 H ATOM 29712 H2 TIP3 2880 -21.105 6.232 27.837 1.00 0.00 WT2 H ATOM 29713 OH2 TIP3 2882 2.355 2.658 -0.126 1.00 0.00 WT2 O ATOM 29714 H1 TIP3 2882 21.362 10.721 14.914 1.00 0.00 WT2 H ATOM 29715 H2 TIP3 2882 6.714 -5.600 -9.313 1.00 0.00 WT2 H ATOM 29716 OH2 TIP3 2883 -1.519 7.588 1.129 1.00 0.00 WT2 O ATOM 29717 H1 TIP3 2883 -2.834 7.602 3.574 1.00 0.00 WT2 H ATOM 29718 H2 TIP3 2883 -0.535 8.034 2.805 1.00 0.00 WT2 H ATOM 29719 OH2 TIP3 2884 -1.795 3.373 5.007 1.00 0.00 WT2 O ATOM 29720 H1 TIP3 2884 -4.946 -2.609 8.555 1.00 0.00 WT2 H ATOM 29721 H2 TIP3 2884 -5.831 -0.169 21.575 1.00 0.00 WT2 H ATOM 29722 OH2 TIP3 2899 -4.117 -2.398 3.805 1.00 0.00 WT2 O ATOM 29723 H1 TIP3 2899 -6.281 22.705 24.765 1.00 0.00 WT2 H ATOM 29724 H2 TIP3 2899 -1.479 9.920 -22.587 1.00 0.00 WT2 H ATOM 29725 OH2 TIP3 2900 5.824 6.519 2.720 1.00 0.00 WT2 O ATOM 29726 H1 TIP3 2900 -9.490 20.367 16.836 1.00 0.00 WT2 H ATOM 29727 H2 TIP3 2900 12.318 7.533 -11.303 1.00 0.00 WT2 H ATOM 29728 OH2 TIP3 2901 0.967 -1.299 4.107 1.00 0.00 WT2 O ATOM 29729 H1 TIP3 2901 11.100 -4.979 4.021 1.00 0.00 WT2 H ATOM 29730 H2 TIP3 2901 2.447 -1.436 2.106 1.00 0.00 WT2 H ATOM 29731 OH2 TIP3 2902 1.459 4.238 1.683 1.00 0.00 WT2 O ATOM 29732 H1 TIP3 2902 4.399 5.377 -6.408 1.00 0.00 WT2 H ATOM 29733 H2 TIP3 2902 5.772 -0.408 4.283 1.00 0.00 WT2 H ATOM 29734 OH2 TIP3 2903 0.882 2.742 0.947 1.00 0.00 WT2 O ATOM 29735 H1 TIP3 2903 1.986 15.330 5.482 1.00 0.00 WT2 H ATOM 29736 H2 TIP3 2903 15.895 -7.158 -0.415 1.00 0.00 WT2 H ATOM 29737 OH2 TIP3 2904 0.457 4.887 -1.241 1.00 0.00 WT2 O ATOM 29738 H1 TIP3 2904 26.094 -5.939 3.304 1.00 0.00 WT2 H ATOM 29739 H2 TIP3 2904 9.056 -22.166 -4.119 1.00 0.00 WT2 H ATOM 29740 OH2 TIP3 2905 5.255 1.395 -1.257 1.00 0.00 WT2 O ATOM 29741 H1 TIP3 2905 2.602 3.354 6.087 1.00 0.00 WT2 H ATOM 29742 H2 TIP3 2905 -1.122 -0.135 -4.729 1.00 0.00 WT2 H ATOM 29743 OH2 TIP3 2908 10.811 2.338 0.956 1.00 0.00 WT2 O ATOM 29744 H1 TIP3 2908 -3.321 -3.916 41.587 1.00 0.00 WT2 H ATOM 29745 H2 TIP3 2908 2.189 -7.002 -5.723 1.00 0.00 WT2 H ATOM 29746 OH2 TIP3 2918 -0.802 1.467 5.316 1.00 0.00 WT2 O ATOM 29747 H1 TIP3 2918 -1.347 0.947 1.007 1.00 0.00 WT2 H ATOM 29748 H2 TIP3 2918 -1.350 4.172 2.491 1.00 0.00 WT2 H ATOM 29749 OH2 TIP3 2919 -0.040 0.457 -1.994 1.00 0.00 WT2 O ATOM 29750 H1 TIP3 2919 -12.259 -7.409 11.728 1.00 0.00 WT2 H ATOM 29751 H2 TIP3 2919 9.779 -12.309 -5.210 1.00 0.00 WT2 H ATOM 29752 OH2 TIP3 2920 -4.309 5.379 -2.271 1.00 0.00 WT2 O ATOM 29753 H1 TIP3 2920 6.462 4.794 7.868 1.00 0.00 WT2 H ATOM 29754 H2 TIP3 2920 6.993 -3.559 -3.131 1.00 0.00 WT2 H ATOM 29755 OH2 TIP3 2922 -3.324 1.647 -7.545 1.00 0.00 WT2 O ATOM 29756 H1 TIP3 2922 11.969 6.820 9.329 1.00 0.00 WT2 H ATOM 29757 H2 TIP3 2922 9.247 -17.283 -17.141 1.00 0.00 WT2 H ATOM 29758 OH2 TIP3 2923 1.539 2.457 -3.138 1.00 0.00 WT2 O ATOM 29759 H1 TIP3 2923 -3.436 7.941 1.090 1.00 0.00 WT2 H ATOM 29760 H2 TIP3 2923 -4.860 14.919 -2.859 1.00 0.00 WT2 H ATOM 29761 OH2 TIP3 2925 -0.367 3.858 7.149 1.00 0.00 WT2 O ATOM 29762 H1 TIP3 2925 0.555 -1.599 6.004 1.00 0.00 WT2 H ATOM 29763 H2 TIP3 2925 3.168 8.051 4.006 1.00 0.00 WT2 H ATOM 29764 OH2 TIP3 2927 -1.857 -4.053 -5.710 1.00 0.00 WT2 O ATOM 29765 H1 TIP3 2927 -4.830 -8.447 -5.070 1.00 0.00 WT2 H ATOM 29766 H2 TIP3 2927 25.576 -8.998 4.126 1.00 0.00 WT2 H ATOM 29767 OH2 TIP3 2938 -0.273 2.482 -0.217 1.00 0.00 WT2 O ATOM 29768 H1 TIP3 2938 -24.100 -0.337 -11.200 1.00 0.00 WT2 H ATOM 29769 H2 TIP3 2938 15.229 10.693 9.054 1.00 0.00 WT2 H ATOM 29770 OH2 TIP3 2941 -3.145 -2.819 -0.075 1.00 0.00 WT2 O ATOM 29771 H1 TIP3 2941 18.023 0.695 7.086 1.00 0.00 WT2 H ATOM 29772 H2 TIP3 2941 13.726 2.486 -2.385 1.00 0.00 WT2 H ATOM 29773 OH2 TIP3 2942 -1.102 4.071 4.059 1.00 0.00 WT2 O ATOM 29774 H1 TIP3 2942 -18.847 -13.837 24.560 1.00 0.00 WT2 H ATOM 29775 H2 TIP3 2942 -1.185 2.332 -0.971 1.00 0.00 WT2 H ATOM 29776 OH2 TIP3 2943 -2.638 -2.748 1.315 1.00 0.00 WT2 O ATOM 29777 H1 TIP3 2943 -4.650 0.513 -7.606 1.00 0.00 WT2 H ATOM 29778 H2 TIP3 2943 6.437 -6.316 1.265 1.00 0.00 WT2 H ATOM 29779 OH2 TIP3 2944 -0.199 0.207 -3.226 1.00 0.00 WT2 O ATOM 29780 H1 TIP3 2944 2.431 2.758 7.158 1.00 0.00 WT2 H ATOM 29781 H2 TIP3 2944 -5.771 -7.205 -0.906 1.00 0.00 WT2 H ATOM 29782 OH2 TIP3 2945 2.208 2.926 -3.430 1.00 0.00 WT2 O ATOM 29783 H1 TIP3 2945 -13.583 10.060 8.175 1.00 0.00 WT2 H ATOM 29784 H2 TIP3 2945 -4.369 0.577 -5.279 1.00 0.00 WT2 H ATOM 29785 OH2 TIP3 2946 3.273 -3.916 -5.745 1.00 0.00 WT2 O ATOM 29786 H1 TIP3 2946 16.923 8.373 -13.517 1.00 0.00 WT2 H ATOM 29787 H2 TIP3 2946 3.343 -1.689 -18.405 1.00 0.00 WT2 H ATOM 29788 OH2 TIP3 2960 -0.691 -2.444 0.336 1.00 0.00 WT2 O ATOM 29789 H1 TIP3 2960 8.840 -2.531 0.816 1.00 0.00 WT2 H ATOM 29790 H2 TIP3 2960 6.876 13.527 26.496 1.00 0.00 WT2 H ATOM 29791 OH2 TIP3 2961 -6.923 10.952 -2.780 1.00 0.00 WT2 O ATOM 29792 H1 TIP3 2961 4.539 11.752 1.560 1.00 0.00 WT2 H ATOM 29793 H2 TIP3 2961 -4.383 21.749 14.656 1.00 0.00 WT2 H ATOM 29794 OH2 TIP3 2963 -5.091 2.398 3.174 1.00 0.00 WT2 O ATOM 29795 H1 TIP3 2963 -7.461 3.206 26.434 1.00 0.00 WT2 H ATOM 29796 H2 TIP3 2963 -18.773 -11.957 8.572 1.00 0.00 WT2 H ATOM 29797 OH2 TIP3 2964 -8.011 1.257 2.544 1.00 0.00 WT2 O ATOM 29798 H1 TIP3 2964 6.502 2.854 15.399 1.00 0.00 WT2 H ATOM 29799 H2 TIP3 2964 -17.773 5.347 12.383 1.00 0.00 WT2 H ATOM 29800 OH2 TIP3 2966 1.720 -2.415 5.006 1.00 0.00 WT2 O ATOM 29801 H1 TIP3 2966 1.189 -18.397 1.740 1.00 0.00 WT2 H ATOM 29802 H2 TIP3 2966 0.780 -11.746 4.962 1.00 0.00 WT2 H ATOM 29803 OH2 TIP3 2967 1.269 4.088 -1.384 1.00 0.00 WT2 O ATOM 29804 H1 TIP3 2967 3.040 8.205 0.659 1.00 0.00 WT2 H ATOM 29805 H2 TIP3 2967 4.860 28.526 12.000 1.00 0.00 WT2 H ATOM 29806 OH2 TIP3 2969 10.704 4.649 -8.963 1.00 0.00 WT2 O ATOM 29807 H1 TIP3 2969 10.964 6.529 21.520 1.00 0.00 WT2 H ATOM 29808 H2 TIP3 2969 12.015 -1.327 -7.412 1.00 0.00 WT2 H ATOM 29809 OH2 TIP3 2972 3.466 -2.517 1.516 1.00 0.00 WT2 O ATOM 29810 H1 TIP3 2972 14.110 18.642 -9.790 1.00 0.00 WT2 H ATOM 29811 H2 TIP3 2972 9.168 -0.760 2.658 1.00 0.00 WT2 H ATOM 29812 OH2 TIP3 2979 -3.804 -1.671 6.920 1.00 0.00 WT2 O ATOM 29813 H1 TIP3 2979 -11.519 1.954 -3.554 1.00 0.00 WT2 H ATOM 29814 H2 TIP3 2979 -12.068 -14.674 10.642 1.00 0.00 WT2 H ATOM 29815 OH2 TIP3 2983 -4.776 1.581 -2.641 1.00 0.00 WT2 O ATOM 29816 H1 TIP3 2983 -5.644 5.402 -3.399 1.00 0.00 WT2 H ATOM 29817 H2 TIP3 2983 -5.628 -14.531 9.542 1.00 0.00 WT2 H ATOM 29818 OH2 TIP3 2984 -0.569 -1.059 3.932 1.00 0.00 WT2 O ATOM 29819 H1 TIP3 2984 -7.576 -11.776 -3.064 1.00 0.00 WT2 H ATOM 29820 H2 TIP3 2984 -4.602 -8.798 -9.732 1.00 0.00 WT2 H ATOM 29821 OH2 TIP3 2986 2.023 -8.391 6.444 1.00 0.00 WT2 O ATOM 29822 H1 TIP3 2986 -2.798 -16.943 -13.576 1.00 0.00 WT2 H ATOM 29823 H2 TIP3 2986 -13.205 4.355 -7.154 1.00 0.00 WT2 H ATOM 29824 OH2 TIP3 2989 -1.159 -0.346 -1.438 1.00 0.00 WT2 O ATOM 29825 H1 TIP3 2989 -9.740 -8.011 10.410 1.00 0.00 WT2 H ATOM 29826 H2 TIP3 2989 1.576 15.070 5.325 1.00 0.00 WT2 H ATOM 29827 OH2 TIP3 2990 -6.613 1.626 9.848 1.00 0.00 WT2 O ATOM 29828 H1 TIP3 2990 -8.766 9.006 2.524 1.00 0.00 WT2 H ATOM 29829 H2 TIP3 2990 13.501 8.304 -5.043 1.00 0.00 WT2 H ATOM 29830 OH2 TIP3 2992 2.500 2.359 -0.014 1.00 0.00 WT2 O ATOM 29831 H1 TIP3 2992 -0.872 2.832 -10.679 1.00 0.00 WT2 H ATOM 29832 H2 TIP3 2992 -4.194 10.554 -4.661 1.00 0.00 WT2 H ATOM 29833 OH2 TIP3 3002 -3.217 3.088 -0.174 1.00 0.00 WT2 O ATOM 29834 H1 TIP3 3002 10.678 18.009 -10.580 1.00 0.00 WT2 H ATOM 29835 H2 TIP3 3002 1.286 10.689 -5.908 1.00 0.00 WT2 H ATOM 29836 OH2 TIP3 3006 0.342 5.766 -0.041 1.00 0.00 WT2 O ATOM 29837 H1 TIP3 3006 -11.679 25.733 -12.987 1.00 0.00 WT2 H ATOM 29838 H2 TIP3 3006 -0.610 -3.782 -4.290 1.00 0.00 WT2 H ATOM 29839 OH2 TIP3 3009 -4.648 -0.043 -6.417 1.00 0.00 WT2 O ATOM 29840 H1 TIP3 3009 -4.335 -24.649 14.722 1.00 0.00 WT2 H ATOM 29841 H2 TIP3 3009 6.696 17.667 -2.712 1.00 0.00 WT2 H ATOM 29842 OH2 TIP3 3010 2.028 9.072 3.150 1.00 0.00 WT2 O ATOM 29843 H1 TIP3 3010 0.075 -27.590 6.992 1.00 0.00 WT2 H ATOM 29844 H2 TIP3 3010 -17.885 -1.887 -9.055 1.00 0.00 WT2 H ATOM 29845 OH2 TIP3 3011 0.914 2.619 2.312 1.00 0.00 WT2 O ATOM 29846 H1 TIP3 3011 -7.875 1.994 12.128 1.00 0.00 WT2 H ATOM 29847 H2 TIP3 3011 6.409 6.822 -4.823 1.00 0.00 WT2 H ATOM 29848 OH2 TIP3 3012 7.366 3.819 8.123 1.00 0.00 WT2 O ATOM 29849 H1 TIP3 3012 22.891 35.629 30.572 1.00 0.00 WT2 H ATOM 29850 H2 TIP3 3012 5.060 0.165 10.264 1.00 0.00 WT2 H ATOM 29851 OH2 TIP3 3013 -4.741 3.561 -2.459 1.00 0.00 WT2 O ATOM 29852 H1 TIP3 3013 -22.409 1.299 -2.898 1.00 0.00 WT2 H ATOM 29853 H2 TIP3 3013 18.045 0.111 -1.745 1.00 0.00 WT2 H ATOM 29854 OH2 TIP3 3018 0.101 3.716 -2.846 1.00 0.00 WT2 O ATOM 29855 H1 TIP3 3018 -1.966 2.139 -4.319 1.00 0.00 WT2 H ATOM 29856 H2 TIP3 3018 -8.690 -6.662 -8.039 1.00 0.00 WT2 H ATOM 29857 OH2 TIP3 3027 -2.220 -2.157 -3.450 1.00 0.00 WT2 O ATOM 29858 H1 TIP3 3027 -10.909 -5.702 -27.850 1.00 0.00 WT2 H ATOM 29859 H2 TIP3 3027 -9.278 -9.588 -16.745 1.00 0.00 WT2 H ATOM 29860 OH2 TIP3 3028 -1.424 -6.094 2.208 1.00 0.00 WT2 O ATOM 29861 H1 TIP3 3028 -1.480 0.539 14.990 1.00 0.00 WT2 H ATOM 29862 H2 TIP3 3028 11.537 3.807 -18.112 1.00 0.00 WT2 H ATOM 29863 OH2 TIP3 3029 7.451 -0.460 1.004 1.00 0.00 WT2 O ATOM 29864 H1 TIP3 3029 15.375 -12.894 37.520 1.00 0.00 WT2 H ATOM 29865 H2 TIP3 3029 -2.785 -3.409 -3.928 1.00 0.00 WT2 H ATOM 29866 OH2 TIP3 3046 0.283 2.733 -8.777 1.00 0.00 WT2 O ATOM 29867 H1 TIP3 3046 -16.862 27.440 -0.842 1.00 0.00 WT2 H ATOM 29868 H2 TIP3 3046 -21.070 25.676 5.307 1.00 0.00 WT2 H ATOM 29869 OH2 TIP3 3048 -1.060 2.195 0.202 1.00 0.00 WT2 O ATOM 29870 H1 TIP3 3048 12.700 2.265 -29.399 1.00 0.00 WT2 H ATOM 29871 H2 TIP3 3048 8.612 -12.929 0.472 1.00 0.00 WT2 H ATOM 29872 OH2 TIP3 3049 -1.308 1.456 6.498 1.00 0.00 WT2 O ATOM 29873 H1 TIP3 3049 -4.497 8.559 10.473 1.00 0.00 WT2 H ATOM 29874 H2 TIP3 3049 2.067 -1.985 3.169 1.00 0.00 WT2 H ATOM 29875 OH2 TIP3 3050 -8.527 -2.231 0.904 1.00 0.00 WT2 O ATOM 29876 H1 TIP3 3050 -7.150 -7.731 5.042 1.00 0.00 WT2 H ATOM 29877 H2 TIP3 3050 -13.453 18.280 -15.711 1.00 0.00 WT2 H ATOM 29878 OH2 TIP3 3051 -0.248 2.755 11.452 1.00 0.00 WT2 O ATOM 29879 H1 TIP3 3051 -6.521 -30.352 0.214 1.00 0.00 WT2 H ATOM 29880 H2 TIP3 3051 12.753 19.217 -17.279 1.00 0.00 WT2 H ATOM 29881 OH2 TIP3 3052 7.548 3.013 6.263 1.00 0.00 WT2 O ATOM 29882 H1 TIP3 3052 12.380 -9.934 4.094 1.00 0.00 WT2 H ATOM 29883 H2 TIP3 3052 16.531 4.701 8.108 1.00 0.00 WT2 H ATOM 29884 OH2 TIP3 3067 -2.805 -0.205 3.832 1.00 0.00 WT2 O ATOM 29885 H1 TIP3 3067 -5.245 -5.376 7.149 1.00 0.00 WT2 H ATOM 29886 H2 TIP3 3067 31.383 -5.534 -7.682 1.00 0.00 WT2 H ATOM 29887 OH2 TIP3 3069 -1.313 -5.609 -6.155 1.00 0.00 WT2 O ATOM 29888 H1 TIP3 3069 -4.860 -3.754 -6.132 1.00 0.00 WT2 H ATOM 29889 H2 TIP3 3069 -11.089 -4.868 2.678 1.00 0.00 WT2 H ATOM 29890 OH2 TIP3 3070 3.717 0.029 6.615 1.00 0.00 WT2 O ATOM 29891 H1 TIP3 3070 1.405 -0.307 -9.208 1.00 0.00 WT2 H ATOM 29892 H2 TIP3 3070 6.490 22.898 40.015 1.00 0.00 WT2 H ATOM 29893 OH2 TIP3 3072 -1.770 -2.004 -3.764 1.00 0.00 WT2 O ATOM 29894 H1 TIP3 3072 -4.745 -2.217 -6.438 1.00 0.00 WT2 H ATOM 29895 H2 TIP3 3072 4.426 -1.476 0.434 1.00 0.00 WT2 H ATOM 29896 OH2 TIP3 3073 2.070 -7.177 -2.377 1.00 0.00 WT2 O ATOM 29897 H1 TIP3 3073 -2.073 -2.484 -15.461 1.00 0.00 WT2 H ATOM 29898 H2 TIP3 3073 0.836 17.896 -16.355 1.00 0.00 WT2 H ATOM 29899 OH2 TIP3 3076 1.014 -2.457 1.248 1.00 0.00 WT2 O ATOM 29900 H1 TIP3 3076 -11.353 -7.162 -4.227 1.00 0.00 WT2 H ATOM 29901 H2 TIP3 3076 3.085 4.364 6.075 1.00 0.00 WT2 H ATOM 29902 OH2 TIP3 3085 2.486 0.149 0.341 1.00 0.00 WT2 O ATOM 29903 H1 TIP3 3085 4.306 -18.634 9.156 1.00 0.00 WT2 H ATOM 29904 H2 TIP3 3085 -7.303 -4.097 -16.450 1.00 0.00 WT2 H ATOM 29905 OH2 TIP3 3086 -3.045 -3.320 -3.748 1.00 0.00 WT2 O ATOM 29906 H1 TIP3 3086 14.890 -1.229 -20.494 1.00 0.00 WT2 H ATOM 29907 H2 TIP3 3086 -5.702 -5.436 0.118 1.00 0.00 WT2 H ATOM 29908 OH2 TIP3 3087 4.541 -1.842 4.319 1.00 0.00 WT2 O ATOM 29909 H1 TIP3 3087 -4.867 -0.168 25.647 1.00 0.00 WT2 H ATOM 29910 H2 TIP3 3087 6.691 -3.932 3.450 1.00 0.00 WT2 H ATOM 29911 OH2 TIP3 3088 -0.613 -1.388 -1.238 1.00 0.00 WT2 O ATOM 29912 H1 TIP3 3088 -2.213 -0.564 1.112 1.00 0.00 WT2 H ATOM 29913 H2 TIP3 3088 -8.418 -9.167 -0.012 1.00 0.00 WT2 H ATOM 29914 OH2 TIP3 3091 -1.631 3.213 4.891 1.00 0.00 WT2 O ATOM 29915 H1 TIP3 3091 -16.436 0.143 9.314 1.00 0.00 WT2 H ATOM 29916 H2 TIP3 3091 3.880 -9.606 10.985 1.00 0.00 WT2 H ATOM 29917 OH2 TIP3 3092 -2.884 1.129 0.100 1.00 0.00 WT2 O ATOM 29918 H1 TIP3 3092 -22.304 -11.836 -7.702 1.00 0.00 WT2 H ATOM 29919 H2 TIP3 3092 -1.082 0.372 10.258 1.00 0.00 WT2 H ATOM 29920 OH2 TIP3 3093 -1.593 0.144 7.634 1.00 0.00 WT2 O ATOM 29921 H1 TIP3 3093 24.695 1.953 -17.256 1.00 0.00 WT2 H ATOM 29922 H2 TIP3 3093 -24.247 22.272 -5.911 1.00 0.00 WT2 H ATOM 29923 OH2 TIP3 3094 0.112 -3.082 -0.654 1.00 0.00 WT2 O ATOM 29924 H1 TIP3 3094 -8.940 3.197 -7.708 1.00 0.00 WT2 H ATOM 29925 H2 TIP3 3094 15.734 -16.890 6.728 1.00 0.00 WT2 H ATOM 29926 OH2 TIP3 3095 -4.997 2.348 2.672 1.00 0.00 WT2 O ATOM 29927 H1 TIP3 3095 5.889 3.877 23.522 1.00 0.00 WT2 H ATOM 29928 H2 TIP3 3095 -4.788 -12.714 4.504 1.00 0.00 WT2 H ATOM 29929 OH2 TIP3 3097 -0.717 6.438 2.204 1.00 0.00 WT2 O ATOM 29930 H1 TIP3 3097 -5.922 6.654 -4.241 1.00 0.00 WT2 H ATOM 29931 H2 TIP3 3097 -8.446 18.544 4.036 1.00 0.00 WT2 H ATOM 29932 OH2 TIP3 3108 -2.194 -1.796 -3.771 1.00 0.00 WT2 O ATOM 29933 H1 TIP3 3108 -15.160 22.828 2.718 1.00 0.00 WT2 H ATOM 29934 H2 TIP3 3108 -14.802 -16.757 13.176 1.00 0.00 WT2 H ATOM 29935 OH2 TIP3 3109 5.342 2.112 0.731 1.00 0.00 WT2 O ATOM 29936 H1 TIP3 3109 -6.028 9.115 -7.232 1.00 0.00 WT2 H ATOM 29937 H2 TIP3 3109 1.432 8.785 -5.651 1.00 0.00 WT2 H ATOM 29938 OH2 TIP3 3110 2.194 -0.131 -0.238 1.00 0.00 WT2 O ATOM 29939 H1 TIP3 3110 15.343 -0.658 -0.236 1.00 0.00 WT2 H ATOM 29940 H2 TIP3 3110 -8.787 -7.035 6.271 1.00 0.00 WT2 H ATOM 29941 OH2 TIP3 3111 -1.314 1.380 5.690 1.00 0.00 WT2 O ATOM 29942 H1 TIP3 3111 7.565 9.664 9.046 1.00 0.00 WT2 H ATOM 29943 H2 TIP3 3111 4.826 -11.357 5.788 1.00 0.00 WT2 H ATOM 29944 OH2 TIP3 3112 -3.088 -0.329 -2.844 1.00 0.00 WT2 O ATOM 29945 H1 TIP3 3112 31.300 -43.020 -18.829 1.00 0.00 WT2 H ATOM 29946 H2 TIP3 3112 -12.286 13.899 -4.551 1.00 0.00 WT2 H ATOM 29947 OH2 TIP3 3114 -7.033 0.071 1.115 1.00 0.00 WT2 O ATOM 29948 H1 TIP3 3114 1.628 -5.979 -6.893 1.00 0.00 WT2 H ATOM 29949 H2 TIP3 3114 11.210 -10.512 4.840 1.00 0.00 WT2 H ATOM 29950 OH2 TIP3 3115 -2.224 -6.616 -1.421 1.00 0.00 WT2 O ATOM 29951 H1 TIP3 3115 -7.716 -3.190 -1.650 1.00 0.00 WT2 H ATOM 29952 H2 TIP3 3115 -3.541 -8.017 -1.348 1.00 0.00 WT2 H ATOM 29953 OH2 TIP3 3116 2.630 5.732 -0.051 1.00 0.00 WT2 O ATOM 29954 H1 TIP3 3116 15.491 12.481 13.167 1.00 0.00 WT2 H ATOM 29955 H2 TIP3 3116 -31.487 -0.968 -2.084 1.00 0.00 WT2 H ATOM 29956 OH2 TIP3 3128 1.958 0.230 -4.581 1.00 0.00 WT2 O ATOM 29957 H1 TIP3 3128 -0.804 -4.675 1.707 1.00 0.00 WT2 H ATOM 29958 H2 TIP3 3128 -1.126 -3.970 1.196 1.00 0.00 WT2 H ATOM 29959 OH2 TIP3 3129 -3.403 3.859 1.899 1.00 0.00 WT2 O ATOM 29960 H1 TIP3 3129 -9.266 12.432 15.160 1.00 0.00 WT2 H ATOM 29961 H2 TIP3 3129 -1.306 0.958 -2.830 1.00 0.00 WT2 H ATOM 29962 OH2 TIP3 3131 2.258 1.087 -4.985 1.00 0.00 WT2 O ATOM 29963 H1 TIP3 3131 -7.289 -8.659 22.671 1.00 0.00 WT2 H ATOM 29964 H2 TIP3 3131 19.565 22.570 -26.515 1.00 0.00 WT2 H ATOM 29965 OH2 TIP3 3134 0.876 5.749 -0.637 1.00 0.00 WT2 O ATOM 29966 H1 TIP3 3134 14.400 14.465 11.121 1.00 0.00 WT2 H ATOM 29967 H2 TIP3 3134 -12.985 -1.934 -13.437 1.00 0.00 WT2 H ATOM 29968 OH2 TIP3 3140 3.530 -5.399 -1.079 1.00 0.00 WT2 O ATOM 29969 H1 TIP3 3140 9.953 10.055 -14.121 1.00 0.00 WT2 H ATOM 29970 H2 TIP3 3140 7.087 5.103 16.957 1.00 0.00 WT2 H ATOM 29971 OH2 TIP3 3150 3.110 -2.531 -0.339 1.00 0.00 WT2 O ATOM 29972 H1 TIP3 3150 9.293 15.099 -17.627 1.00 0.00 WT2 H ATOM 29973 H2 TIP3 3150 3.116 10.101 20.272 1.00 0.00 WT2 H ATOM 29974 OH2 TIP3 3151 -3.948 -2.819 -2.319 1.00 0.00 WT2 O ATOM 29975 H1 TIP3 3151 15.169 14.929 -9.512 1.00 0.00 WT2 H ATOM 29976 H2 TIP3 3151 2.825 -9.495 8.859 1.00 0.00 WT2 H ATOM 29977 OH2 TIP3 3152 -3.872 2.285 -0.438 1.00 0.00 WT2 O ATOM 29978 H1 TIP3 3152 -3.608 4.121 -1.371 1.00 0.00 WT2 H ATOM 29979 H2 TIP3 3152 -15.269 12.217 -15.074 1.00 0.00 WT2 H ATOM 29980 OH2 TIP3 3153 1.717 2.595 4.368 1.00 0.00 WT2 O ATOM 29981 H1 TIP3 3153 -1.387 1.074 7.607 1.00 0.00 WT2 H ATOM 29982 H2 TIP3 3153 14.454 0.214 16.505 1.00 0.00 WT2 H ATOM 29983 OH2 TIP3 3154 1.809 -0.803 3.335 1.00 0.00 WT2 O ATOM 29984 H1 TIP3 3154 7.305 5.601 -20.898 1.00 0.00 WT2 H ATOM 29985 H2 TIP3 3154 -25.166 7.510 5.773 1.00 0.00 WT2 H ATOM 29986 OH2 TIP3 3157 -3.423 1.368 4.035 1.00 0.00 WT2 O ATOM 29987 H1 TIP3 3157 -1.128 17.597 33.928 1.00 0.00 WT2 H ATOM 29988 H2 TIP3 3157 13.747 20.990 -17.099 1.00 0.00 WT2 H ATOM 29989 OH2 TIP3 3173 0.586 1.943 -0.427 1.00 0.00 WT2 O ATOM 29990 H1 TIP3 3173 1.786 11.817 -3.830 1.00 0.00 WT2 H ATOM 29991 H2 TIP3 3173 -0.949 -6.360 -3.191 1.00 0.00 WT2 H ATOM 29992 OH2 TIP3 3174 -0.893 2.234 4.020 1.00 0.00 WT2 O ATOM 29993 H1 TIP3 3174 17.704 1.952 11.799 1.00 0.00 WT2 H ATOM 29994 H2 TIP3 3174 12.766 23.619 -1.327 1.00 0.00 WT2 H ATOM 29995 OH2 TIP3 3176 3.530 -2.193 -1.163 1.00 0.00 WT2 O ATOM 29996 H1 TIP3 3176 -2.049 -9.307 14.738 1.00 0.00 WT2 H ATOM 29997 H2 TIP3 3176 13.045 -21.838 -11.913 1.00 0.00 WT2 H ATOM 29998 OH2 TIP3 3177 -5.359 4.326 0.408 1.00 0.00 WT2 O ATOM 29999 H1 TIP3 3177 -3.823 9.686 0.694 1.00 0.00 WT2 H ATOM 30000 H2 TIP3 3177 -8.422 -12.174 1.218 1.00 0.00 WT2 H ATOM 30001 OH2 TIP3 3179 -0.746 -1.352 -6.891 1.00 0.00 WT2 O ATOM 30002 H1 TIP3 3179 -4.970 14.614 -16.164 1.00 0.00 WT2 H ATOM 30003 H2 TIP3 3179 23.707 -13.888 -20.075 1.00 0.00 WT2 H ATOM 30004 OH2 TIP3 3187 4.340 1.511 0.007 1.00 0.00 WT2 O ATOM 30005 H1 TIP3 3187 0.277 -14.865 -16.181 1.00 0.00 WT2 H ATOM 30006 H2 TIP3 3187 -0.006 -5.565 9.344 1.00 0.00 WT2 H ATOM 30007 OH2 TIP3 3192 -0.361 -0.119 3.728 1.00 0.00 WT2 O ATOM 30008 H1 TIP3 3192 3.265 10.727 -0.952 1.00 0.00 WT2 H ATOM 30009 H2 TIP3 3192 -0.604 -11.070 1.871 1.00 0.00 WT2 H ATOM 30010 OH2 TIP3 3193 -1.056 -2.766 6.347 1.00 0.00 WT2 O ATOM 30011 H1 TIP3 3193 -8.090 7.029 0.380 1.00 0.00 WT2 H ATOM 30012 H2 TIP3 3193 -1.536 -2.919 8.627 1.00 0.00 WT2 H ATOM 30013 OH2 TIP3 3195 -4.653 -2.080 6.644 1.00 0.00 WT2 O ATOM 30014 H1 TIP3 3195 -18.356 20.880 13.558 1.00 0.00 WT2 H ATOM 30015 H2 TIP3 3195 8.890 12.237 18.560 1.00 0.00 WT2 H ATOM 30016 OH2 TIP3 3196 -1.984 -5.067 3.841 1.00 0.00 WT2 O ATOM 30017 H1 TIP3 3196 2.932 -12.568 11.760 1.00 0.00 WT2 H ATOM 30018 H2 TIP3 3196 -8.921 6.806 -0.995 1.00 0.00 WT2 H ATOM 30019 OH2 TIP3 3197 -3.632 4.314 2.846 1.00 0.00 WT2 O ATOM 30020 H1 TIP3 3197 19.225 16.526 -1.642 1.00 0.00 WT2 H ATOM 30021 H2 TIP3 3197 -8.210 5.620 22.764 1.00 0.00 WT2 H ATOM 30022 OH2 TIP3 3198 7.152 -3.394 -0.868 1.00 0.00 WT2 O ATOM 30023 H1 TIP3 3198 -18.195 -3.834 13.151 1.00 0.00 WT2 H ATOM 30024 H2 TIP3 3198 8.546 24.718 -7.607 1.00 0.00 WT2 H ATOM 30025 OH2 TIP3 3200 -0.538 -0.273 2.075 1.00 0.00 WT2 O ATOM 30026 H1 TIP3 3200 -23.546 7.442 -13.981 1.00 0.00 WT2 H ATOM 30027 H2 TIP3 3200 18.898 17.145 5.578 1.00 0.00 WT2 H ATOM 30028 OH2 TIP3 3202 2.912 -0.131 -1.335 1.00 0.00 WT2 O ATOM 30029 H1 TIP3 3202 2.668 -3.284 -1.650 1.00 0.00 WT2 H ATOM 30030 H2 TIP3 3202 2.518 -1.862 2.958 1.00 0.00 WT2 H ATOM 30031 OH2 TIP3 3214 -3.294 -3.542 2.598 1.00 0.00 WT2 O ATOM 30032 H1 TIP3 3214 -4.353 20.957 -19.234 1.00 0.00 WT2 H ATOM 30033 H2 TIP3 3214 -3.789 13.108 -5.956 1.00 0.00 WT2 H ATOM 30034 OH2 TIP3 3215 0.943 1.812 4.539 1.00 0.00 WT2 O ATOM 30035 H1 TIP3 3215 1.579 -2.114 4.384 1.00 0.00 WT2 H ATOM 30036 H2 TIP3 3215 4.510 -8.540 3.059 1.00 0.00 WT2 H ATOM 30037 OH2 TIP3 3218 1.864 3.487 5.485 1.00 0.00 WT2 O ATOM 30038 H1 TIP3 3218 6.219 -0.430 -27.534 1.00 0.00 WT2 H ATOM 30039 H2 TIP3 3218 -25.276 21.411 13.011 1.00 0.00 WT2 H ATOM 30040 OH2 TIP3 3220 1.828 -3.387 0.762 1.00 0.00 WT2 O ATOM 30041 H1 TIP3 3220 6.650 -8.854 -1.351 1.00 0.00 WT2 H ATOM 30042 H2 TIP3 3220 2.564 -2.617 9.048 1.00 0.00 WT2 H ATOM 30043 OH2 TIP3 3233 2.484 2.575 -1.249 1.00 0.00 WT2 O ATOM 30044 H1 TIP3 3233 8.678 -6.561 -1.403 1.00 0.00 WT2 H ATOM 30045 H2 TIP3 3233 6.216 -4.087 5.089 1.00 0.00 WT2 H ATOM 30046 OH2 TIP3 3234 1.993 0.242 1.999 1.00 0.00 WT2 O ATOM 30047 H1 TIP3 3234 -0.547 6.705 -1.119 1.00 0.00 WT2 H ATOM 30048 H2 TIP3 3234 18.304 -23.396 11.408 1.00 0.00 WT2 H ATOM 30049 OH2 TIP3 3236 5.359 -2.053 -1.464 1.00 0.00 WT2 O ATOM 30050 H1 TIP3 3236 11.556 -12.998 -7.186 1.00 0.00 WT2 H ATOM 30051 H2 TIP3 3236 -9.397 21.771 13.992 1.00 0.00 WT2 H ATOM 30052 OH2 TIP3 3237 6.138 -3.884 -2.962 1.00 0.00 WT2 O ATOM 30053 H1 TIP3 3237 -9.998 8.541 0.645 1.00 0.00 WT2 H ATOM 30054 H2 TIP3 3237 -8.824 7.950 0.914 1.00 0.00 WT2 H ATOM 30055 OH2 TIP3 3238 -1.558 -0.888 3.819 1.00 0.00 WT2 O ATOM 30056 H1 TIP3 3238 -2.091 -0.017 5.935 1.00 0.00 WT2 H ATOM 30057 H2 TIP3 3238 1.417 -1.632 -1.324 1.00 0.00 WT2 H ATOM 30058 OH2 TIP3 3239 4.923 -3.020 2.421 1.00 0.00 WT2 O ATOM 30059 H1 TIP3 3239 -0.857 6.783 4.331 1.00 0.00 WT2 H ATOM 30060 H2 TIP3 3239 16.039 -9.212 5.941 1.00 0.00 WT2 H ATOM 30061 OH2 TIP3 3240 2.897 2.889 4.961 1.00 0.00 WT2 O ATOM 30062 H1 TIP3 3240 -3.069 -6.835 12.413 1.00 0.00 WT2 H ATOM 30063 H2 TIP3 3240 11.322 -22.974 -6.972 1.00 0.00 WT2 H ATOM 30064 OH2 TIP3 3241 1.837 -7.730 3.266 1.00 0.00 WT2 O ATOM 30065 H1 TIP3 3241 -1.159 -3.516 -0.769 1.00 0.00 WT2 H ATOM 30066 H2 TIP3 3241 -2.413 -6.400 4.393 1.00 0.00 WT2 H ATOM 30067 OH2 TIP3 3242 0.860 3.715 -4.230 1.00 0.00 WT2 O ATOM 30068 H1 TIP3 3242 -10.446 6.618 10.589 1.00 0.00 WT2 H ATOM 30069 H2 TIP3 3242 -2.922 3.735 -13.836 1.00 0.00 WT2 H ATOM 30070 OH2 TIP3 3243 -4.341 5.165 -0.109 1.00 0.00 WT2 O ATOM 30071 H1 TIP3 3243 3.312 13.205 -3.015 1.00 0.00 WT2 H ATOM 30072 H2 TIP3 3243 14.902 23.929 -7.134 1.00 0.00 WT2 H ATOM 30073 OH2 TIP3 3244 -3.692 2.631 -1.118 1.00 0.00 WT2 O ATOM 30074 H1 TIP3 3244 8.187 -3.834 -0.728 1.00 0.00 WT2 H ATOM 30075 H2 TIP3 3244 11.440 -5.368 -0.245 1.00 0.00 WT2 H ATOM 30076 OH2 TIP3 3257 6.205 -7.111 1.073 1.00 0.00 WT2 O ATOM 30077 H1 TIP3 3257 2.926 -7.839 0.005 1.00 0.00 WT2 H ATOM 30078 H2 TIP3 3257 7.146 -9.336 2.762 1.00 0.00 WT2 H ATOM 30079 OH2 TIP3 3258 3.356 0.365 -2.464 1.00 0.00 WT2 O ATOM 30080 H1 TIP3 3258 3.311 5.972 -7.982 1.00 0.00 WT2 H ATOM 30081 H2 TIP3 3258 3.482 -4.764 0.159 1.00 0.00 WT2 H ATOM 30082 OH2 TIP3 3262 -6.265 -0.420 -7.805 1.00 0.00 WT2 O ATOM 30083 H1 TIP3 3262 -24.567 -13.262 12.237 1.00 0.00 WT2 H ATOM 30084 H2 TIP3 3262 -16.112 21.317 17.218 1.00 0.00 WT2 H ATOM 30085 OH2 TIP3 3274 1.731 4.599 -1.461 1.00 0.00 WT2 O ATOM 30086 H1 TIP3 3274 5.066 1.829 5.200 1.00 0.00 WT2 H ATOM 30087 H2 TIP3 3274 2.432 12.799 -7.071 1.00 0.00 WT2 H ATOM 30088 OH2 TIP3 3275 -0.095 3.788 9.645 1.00 0.00 WT2 O ATOM 30089 H1 TIP3 3275 -4.460 15.349 13.263 1.00 0.00 WT2 H ATOM 30090 H2 TIP3 3275 34.546 19.551 -8.444 1.00 0.00 WT2 H ATOM 30091 OH2 TIP3 3276 -8.509 -1.920 3.701 1.00 0.00 WT2 O ATOM 30092 H1 TIP3 3276 -25.014 13.262 -6.122 1.00 0.00 WT2 H ATOM 30093 H2 TIP3 3276 8.019 -17.064 2.047 1.00 0.00 WT2 H ATOM 30094 OH2 TIP3 3277 1.286 1.816 -2.184 1.00 0.00 WT2 O ATOM 30095 H1 TIP3 3277 26.008 25.075 11.604 1.00 0.00 WT2 H ATOM 30096 H2 TIP3 3277 12.004 13.337 4.337 1.00 0.00 WT2 H ATOM 30097 OH2 TIP3 3278 -0.365 -4.442 2.985 1.00 0.00 WT2 O ATOM 30098 H1 TIP3 3278 -17.873 -12.696 -20.788 1.00 0.00 WT2 H ATOM 30099 H2 TIP3 3278 -2.677 25.878 4.125 1.00 0.00 WT2 H ATOM 30100 OH2 TIP3 3279 -2.106 -2.287 0.185 1.00 0.00 WT2 O ATOM 30101 H1 TIP3 3279 8.263 -4.057 0.036 1.00 0.00 WT2 H ATOM 30102 H2 TIP3 3279 -5.775 -4.912 -10.548 1.00 0.00 WT2 H ATOM 30103 OH2 TIP3 3280 -0.368 1.273 7.052 1.00 0.00 WT2 O ATOM 30104 H1 TIP3 3280 -0.686 0.732 6.394 1.00 0.00 WT2 H ATOM 30105 H2 TIP3 3280 15.178 -1.496 -0.932 1.00 0.00 WT2 H ATOM 30106 OH2 TIP3 3282 -1.894 -1.626 -5.391 1.00 0.00 WT2 O ATOM 30107 H1 TIP3 3282 15.850 -12.593 -5.380 1.00 0.00 WT2 H ATOM 30108 H2 TIP3 3282 -48.410 13.559 -13.407 1.00 0.00 WT2 H ATOM 30109 OH2 TIP3 3283 1.919 1.685 -5.230 1.00 0.00 WT2 O ATOM 30110 H1 TIP3 3283 22.691 -14.451 -16.611 1.00 0.00 WT2 H ATOM 30111 H2 TIP3 3283 -0.706 3.561 1.596 1.00 0.00 WT2 H ATOM 30112 OH2 TIP3 3284 -1.140 -3.176 -4.597 1.00 0.00 WT2 O ATOM 30113 H1 TIP3 3284 10.068 -6.249 0.991 1.00 0.00 WT2 H ATOM 30114 H2 TIP3 3284 -9.913 -2.551 -0.569 1.00 0.00 WT2 H ATOM 30115 OH2 TIP3 3296 -3.788 -4.915 -4.502 1.00 0.00 WT2 O ATOM 30116 H1 TIP3 3296 -11.214 -36.123 1.437 1.00 0.00 WT2 H ATOM 30117 H2 TIP3 3296 -12.944 -10.113 12.065 1.00 0.00 WT2 H ATOM 30118 OH2 TIP3 3298 1.514 -2.464 -2.498 1.00 0.00 WT2 O ATOM 30119 H1 TIP3 3298 -5.442 -5.996 -0.299 1.00 0.00 WT2 H ATOM 30120 H2 TIP3 3298 8.266 -13.928 8.407 1.00 0.00 WT2 H ATOM 30121 OH2 TIP3 3301 -0.014 3.132 -9.724 1.00 0.00 WT2 O ATOM 30122 H1 TIP3 3301 4.551 6.313 -10.409 1.00 0.00 WT2 H ATOM 30123 H2 TIP3 3301 -4.799 40.585 10.249 1.00 0.00 WT2 H ATOM 30124 OH2 TIP3 3302 -1.520 1.483 -0.424 1.00 0.00 WT2 O ATOM 30125 H1 TIP3 3302 -21.909 14.326 -1.700 1.00 0.00 WT2 H ATOM 30126 H2 TIP3 3302 13.478 19.402 -2.048 1.00 0.00 WT2 H ATOM 30127 OH2 TIP3 3303 -0.121 -1.083 2.172 1.00 0.00 WT2 O ATOM 30128 H1 TIP3 3303 -1.425 -1.608 -4.013 1.00 0.00 WT2 H ATOM 30129 H2 TIP3 3303 -12.868 4.935 -8.262 1.00 0.00 WT2 H ATOM 30130 OH2 TIP3 3304 2.726 -3.546 -4.063 1.00 0.00 WT2 O ATOM 30131 H1 TIP3 3304 5.240 -19.851 -0.699 1.00 0.00 WT2 H ATOM 30132 H2 TIP3 3304 -12.345 -14.198 -2.699 1.00 0.00 WT2 H ATOM 30133 OH2 TIP3 3308 1.547 1.688 1.922 1.00 0.00 WT2 O ATOM 30134 H1 TIP3 3308 -3.930 8.262 -29.236 1.00 0.00 WT2 H ATOM 30135 H2 TIP3 3308 8.747 11.004 -29.119 1.00 0.00 WT2 H ATOM 30136 OH2 TIP3 3317 -3.894 4.704 -0.862 1.00 0.00 WT2 O ATOM 30137 H1 TIP3 3317 -9.652 5.218 6.207 1.00 0.00 WT2 H ATOM 30138 H2 TIP3 3317 28.902 2.682 17.822 1.00 0.00 WT2 H ATOM 30139 OH2 TIP3 3319 -4.134 2.998 2.328 1.00 0.00 WT2 O ATOM 30140 H1 TIP3 3319 13.960 9.318 -5.926 1.00 0.00 WT2 H ATOM 30141 H2 TIP3 3319 -5.384 15.457 9.522 1.00 0.00 WT2 H ATOM 30142 OH2 TIP3 3320 -0.898 -3.670 2.953 1.00 0.00 WT2 O ATOM 30143 H1 TIP3 3320 -11.103 -21.692 -26.744 1.00 0.00 WT2 H ATOM 30144 H2 TIP3 3320 -0.305 7.360 -16.183 1.00 0.00 WT2 H ATOM 30145 OH2 TIP3 3321 -6.957 1.853 0.136 1.00 0.00 WT2 O ATOM 30146 H1 TIP3 3321 -16.099 5.723 1.734 1.00 0.00 WT2 H ATOM 30147 H2 TIP3 3321 -20.778 -2.591 14.532 1.00 0.00 WT2 H ATOM 30148 OH2 TIP3 3322 3.268 -1.369 -0.513 1.00 0.00 WT2 O ATOM 30149 H1 TIP3 3322 -7.661 5.164 -2.845 1.00 0.00 WT2 H ATOM 30150 H2 TIP3 3322 0.239 0.762 7.279 1.00 0.00 WT2 H ATOM 30151 OH2 TIP3 3323 -1.077 -8.389 -2.135 1.00 0.00 WT2 O ATOM 30152 H1 TIP3 3323 -12.488 -5.920 -20.742 1.00 0.00 WT2 H ATOM 30153 H2 TIP3 3323 -12.064 -20.693 7.439 1.00 0.00 WT2 H ATOM 30154 OH2 TIP3 3326 -0.113 7.846 6.488 1.00 0.00 WT2 O ATOM 30155 H1 TIP3 3326 5.889 1.107 28.485 1.00 0.00 WT2 H ATOM 30156 H2 TIP3 3326 -7.897 -12.500 -13.338 1.00 0.00 WT2 H ATOM 30157 OH2 TIP3 3337 1.619 3.973 -3.720 1.00 0.00 WT2 O ATOM 30158 H1 TIP3 3337 10.436 0.856 6.893 1.00 0.00 WT2 H ATOM 30159 H2 TIP3 3337 -2.723 -2.559 -13.916 1.00 0.00 WT2 H ATOM 30160 OH2 TIP3 3341 -1.584 4.408 -6.850 1.00 0.00 WT2 O ATOM 30161 H1 TIP3 3341 8.949 9.138 -2.596 1.00 0.00 WT2 H ATOM 30162 H2 TIP3 3341 -2.315 3.419 -11.811 1.00 0.00 WT2 H ATOM 30163 OH2 TIP3 3342 -5.044 -3.906 3.329 1.00 0.00 WT2 O ATOM 30164 H1 TIP3 3342 -3.501 -3.183 -17.722 1.00 0.00 WT2 H ATOM 30165 H2 TIP3 3342 -15.822 -5.730 -1.404 1.00 0.00 WT2 H ATOM 30166 OH2 TIP3 3344 0.434 -0.634 0.736 1.00 0.00 WT2 O ATOM 30167 H1 TIP3 3344 -9.271 6.270 13.279 1.00 0.00 WT2 H ATOM 30168 H2 TIP3 3344 -12.507 0.327 10.677 1.00 0.00 WT2 H ATOM 30169 OH2 TIP3 3345 7.498 -1.253 3.301 1.00 0.00 WT2 O ATOM 30170 H1 TIP3 3345 4.892 -22.055 25.318 1.00 0.00 WT2 H ATOM 30171 H2 TIP3 3345 -2.252 20.853 -8.312 1.00 0.00 WT2 H ATOM 30172 OH2 TIP3 3347 -7.299 -3.861 -2.731 1.00 0.00 WT2 O ATOM 30173 H1 TIP3 3347 4.962 -8.602 3.503 1.00 0.00 WT2 H ATOM 30174 H2 TIP3 3347 2.837 -7.551 3.161 1.00 0.00 WT2 H ATOM 30175 OH2 TIP3 3348 6.005 -1.700 -5.388 1.00 0.00 WT2 O ATOM 30176 H1 TIP3 3348 -11.329 18.697 21.031 1.00 0.00 WT2 H ATOM 30177 H2 TIP3 3348 0.385 -26.503 19.046 1.00 0.00 WT2 H ATOM 30178 OH2 TIP3 3349 2.522 -8.712 1.902 1.00 0.00 WT2 O ATOM 30179 H1 TIP3 3349 14.880 -15.432 4.837 1.00 0.00 WT2 H ATOM 30180 H2 TIP3 3349 7.751 -11.166 0.080 1.00 0.00 WT2 H ATOM 30181 OH2 TIP3 3360 3.432 4.470 -2.612 1.00 0.00 WT2 O ATOM 30182 H1 TIP3 3360 -7.151 -25.954 14.356 1.00 0.00 WT2 H ATOM 30183 H2 TIP3 3360 -17.634 14.104 16.198 1.00 0.00 WT2 H ATOM 30184 OH2 TIP3 3361 -4.820 6.728 0.676 1.00 0.00 WT2 O ATOM 30185 H1 TIP3 3361 13.943 20.438 -2.723 1.00 0.00 WT2 H ATOM 30186 H2 TIP3 3361 -0.964 -12.115 -5.172 1.00 0.00 WT2 H ATOM 30187 OH2 TIP3 3362 3.608 4.482 0.674 1.00 0.00 WT2 O ATOM 30188 H1 TIP3 3362 -14.931 9.621 -28.118 1.00 0.00 WT2 H ATOM 30189 H2 TIP3 3362 -4.405 -10.285 -10.367 1.00 0.00 WT2 H ATOM 30190 OH2 TIP3 3363 8.318 1.247 -4.953 1.00 0.00 WT2 O ATOM 30191 H1 TIP3 3363 14.402 -0.371 -13.448 1.00 0.00 WT2 H ATOM 30192 H2 TIP3 3363 3.546 -6.103 -1.826 1.00 0.00 WT2 H ATOM 30193 OH2 TIP3 3364 -4.339 6.906 -1.112 1.00 0.00 WT2 O ATOM 30194 H1 TIP3 3364 3.099 -1.956 -8.117 1.00 0.00 WT2 H ATOM 30195 H2 TIP3 3364 -1.806 -3.268 2.664 1.00 0.00 WT2 H ATOM 30196 OH2 TIP3 3366 -0.421 -0.647 -1.945 1.00 0.00 WT2 O ATOM 30197 H1 TIP3 3366 -1.999 -2.615 -1.464 1.00 0.00 WT2 H ATOM 30198 H2 TIP3 3366 0.844 -3.308 1.871 1.00 0.00 WT2 H ATOM 30199 OH2 TIP3 3367 -5.613 0.343 2.005 1.00 0.00 WT2 O ATOM 30200 H1 TIP3 3367 -14.019 -6.287 -4.489 1.00 0.00 WT2 H ATOM 30201 H2 TIP3 3367 -0.878 1.651 -2.625 1.00 0.00 WT2 H ATOM 30202 OH2 TIP3 3381 -3.414 3.983 -3.255 1.00 0.00 WT2 O ATOM 30203 H1 TIP3 3381 17.345 -24.414 18.050 1.00 0.00 WT2 H ATOM 30204 H2 TIP3 3381 17.986 -26.832 16.924 1.00 0.00 WT2 H ATOM 30205 OH2 TIP3 3382 1.092 0.154 0.175 1.00 0.00 WT2 O ATOM 30206 H1 TIP3 3382 2.465 -7.856 -3.669 1.00 0.00 WT2 H ATOM 30207 H2 TIP3 3382 2.729 18.662 8.840 1.00 0.00 WT2 H ATOM 30208 OH2 TIP3 3383 -1.600 2.977 -0.657 1.00 0.00 WT2 O ATOM 30209 H1 TIP3 3383 9.026 3.227 -23.171 1.00 0.00 WT2 H ATOM 30210 H2 TIP3 3383 12.598 12.058 30.137 1.00 0.00 WT2 H ATOM 30211 OH2 TIP3 3384 -4.830 -7.723 -6.213 1.00 0.00 WT2 O ATOM 30212 H1 TIP3 3384 -5.895 -12.788 -2.002 1.00 0.00 WT2 H ATOM 30213 H2 TIP3 3384 0.818 -20.760 -6.384 1.00 0.00 WT2 H ATOM 30214 OH2 TIP3 3386 -3.290 1.738 -4.007 1.00 0.00 WT2 O ATOM 30215 H1 TIP3 3386 2.200 -1.976 -0.521 1.00 0.00 WT2 H ATOM 30216 H2 TIP3 3386 -37.061 12.705 -26.537 1.00 0.00 WT2 H ATOM 30217 OH2 TIP3 3387 -0.521 -3.109 -0.472 1.00 0.00 WT2 O ATOM 30218 H1 TIP3 3387 2.856 21.820 -19.516 1.00 0.00 WT2 H ATOM 30219 H2 TIP3 3387 1.357 11.424 9.952 1.00 0.00 WT2 H ATOM 30220 OH2 TIP3 3388 -3.616 -6.223 -0.243 1.00 0.00 WT2 O ATOM 30221 H1 TIP3 3388 -9.605 -8.781 -4.663 1.00 0.00 WT2 H ATOM 30222 H2 TIP3 3388 1.323 -3.084 6.859 1.00 0.00 WT2 H ATOM 30223 OH2 TIP3 3389 -4.462 -3.166 -1.126 1.00 0.00 WT2 O ATOM 30224 H1 TIP3 3389 -11.840 3.831 2.534 1.00 0.00 WT2 H ATOM 30225 H2 TIP3 3389 3.714 2.267 4.043 1.00 0.00 WT2 H ATOM 30226 OH2 TIP3 3402 -2.876 -2.644 1.537 1.00 0.00 WT2 O ATOM 30227 H1 TIP3 3402 20.625 -0.517 -2.751 1.00 0.00 WT2 H ATOM 30228 H2 TIP3 3402 -20.331 16.654 2.749 1.00 0.00 WT2 H ATOM 30229 OH2 TIP3 3404 5.224 -3.119 3.520 1.00 0.00 WT2 O ATOM 30230 H1 TIP3 3404 13.338 0.802 -15.944 1.00 0.00 WT2 H ATOM 30231 H2 TIP3 3404 -13.920 13.921 11.201 1.00 0.00 WT2 H ATOM 30232 OH2 TIP3 3405 -0.610 7.477 8.235 1.00 0.00 WT2 O ATOM 30233 H1 TIP3 3405 20.745 -1.998 -3.804 1.00 0.00 WT2 H ATOM 30234 H2 TIP3 3405 15.718 -0.925 -4.471 1.00 0.00 WT2 H ATOM 30235 OH2 TIP3 3406 0.487 5.761 -1.835 1.00 0.00 WT2 O ATOM 30236 H1 TIP3 3406 -3.265 6.328 -8.316 1.00 0.00 WT2 H ATOM 30237 H2 TIP3 3406 -4.693 1.968 2.398 1.00 0.00 WT2 H ATOM 30238 OH2 TIP3 3407 3.958 0.840 2.690 1.00 0.00 WT2 O ATOM 30239 H1 TIP3 3407 -4.084 -16.284 25.685 1.00 0.00 WT2 H ATOM 30240 H2 TIP3 3407 -9.621 13.872 -5.781 1.00 0.00 WT2 H ATOM 30241 OH2 TIP3 3408 0.162 3.948 3.946 1.00 0.00 WT2 O ATOM 30242 H1 TIP3 3408 -12.295 -0.353 8.861 1.00 0.00 WT2 H ATOM 30243 H2 TIP3 3408 44.348 3.496 -13.044 1.00 0.00 WT2 H ATOM 30244 OH2 TIP3 3409 4.618 -1.003 -0.454 1.00 0.00 WT2 O ATOM 30245 H1 TIP3 3409 -11.258 -7.872 0.346 1.00 0.00 WT2 H ATOM 30246 H2 TIP3 3409 -14.327 -11.175 16.654 1.00 0.00 WT2 H ATOM 30247 OH2 TIP3 3411 -10.336 -2.533 6.080 1.00 0.00 WT2 O ATOM 30248 H1 TIP3 3411 -26.260 4.983 -1.805 1.00 0.00 WT2 H ATOM 30249 H2 TIP3 3411 0.726 -14.410 -9.679 1.00 0.00 WT2 H ATOM 30250 OH2 TIP3 3422 -1.660 1.966 -5.558 1.00 0.00 WT2 O ATOM 30251 H1 TIP3 3422 -7.627 -9.366 -2.140 1.00 0.00 WT2 H ATOM 30252 H2 TIP3 3422 8.425 20.072 -10.212 1.00 0.00 WT2 H ATOM 30253 OH2 TIP3 3424 3.795 3.497 -2.002 1.00 0.00 WT2 O ATOM 30254 H1 TIP3 3424 14.730 25.352 -11.610 1.00 0.00 WT2 H ATOM 30255 H2 TIP3 3424 4.604 -11.036 16.709 1.00 0.00 WT2 H ATOM 30256 OH2 TIP3 3426 -2.191 -6.737 3.203 1.00 0.00 WT2 O ATOM 30257 H1 TIP3 3426 9.479 -14.198 -4.009 1.00 0.00 WT2 H ATOM 30258 H2 TIP3 3426 -16.695 -17.005 -7.274 1.00 0.00 WT2 H ATOM 30259 OH2 TIP3 3427 3.324 2.357 1.685 1.00 0.00 WT2 O ATOM 30260 H1 TIP3 3427 10.960 -15.400 6.304 1.00 0.00 WT2 H ATOM 30261 H2 TIP3 3427 -16.950 -0.610 3.293 1.00 0.00 WT2 H ATOM 30262 OH2 TIP3 3428 0.907 -2.537 0.505 1.00 0.00 WT2 O ATOM 30263 H1 TIP3 3428 8.904 3.138 -0.245 1.00 0.00 WT2 H ATOM 30264 H2 TIP3 3428 -12.426 3.105 3.170 1.00 0.00 WT2 H ATOM 30265 OH2 TIP3 3429 -1.870 -4.444 0.664 1.00 0.00 WT2 O ATOM 30266 H1 TIP3 3429 -5.290 -7.475 17.428 1.00 0.00 WT2 H ATOM 30267 H2 TIP3 3429 3.899 4.249 8.900 1.00 0.00 WT2 H ATOM 30268 OH2 TIP3 3430 3.258 2.371 -4.594 1.00 0.00 WT2 O ATOM 30269 H1 TIP3 3430 5.026 -19.229 -18.252 1.00 0.00 WT2 H ATOM 30270 H2 TIP3 3430 7.218 2.719 -3.269 1.00 0.00 WT2 H ATOM 30271 OH2 TIP3 3431 0.473 3.998 -2.652 1.00 0.00 WT2 O ATOM 30272 H1 TIP3 3431 -9.300 -23.399 -0.506 1.00 0.00 WT2 H ATOM 30273 H2 TIP3 3431 4.759 5.973 7.995 1.00 0.00 WT2 H ATOM 30274 OH2 TIP3 3442 7.146 4.035 -2.895 1.00 0.00 WT2 O ATOM 30275 H1 TIP3 3442 5.468 4.945 -19.093 1.00 0.00 WT2 H ATOM 30276 H2 TIP3 3442 6.790 6.689 -1.486 1.00 0.00 WT2 H ATOM 30277 OH2 TIP3 3444 5.979 -2.088 3.052 1.00 0.00 WT2 O ATOM 30278 H1 TIP3 3444 -10.413 -20.196 4.391 1.00 0.00 WT2 H ATOM 30279 H2 TIP3 3444 4.700 1.858 2.090 1.00 0.00 WT2 H ATOM 30280 OH2 TIP3 3446 -0.147 -1.139 -2.061 1.00 0.00 WT2 O ATOM 30281 H1 TIP3 3446 -7.789 -12.246 11.107 1.00 0.00 WT2 H ATOM 30282 H2 TIP3 3446 6.082 4.697 -7.958 1.00 0.00 WT2 H ATOM 30283 OH2 TIP3 3447 -5.113 -6.486 -1.844 1.00 0.00 WT2 O ATOM 30284 H1 TIP3 3447 21.547 -7.549 12.686 1.00 0.00 WT2 H ATOM 30285 H2 TIP3 3447 -9.870 -7.179 11.044 1.00 0.00 WT2 H ATOM 30286 OH2 TIP3 3449 -2.962 2.478 -5.077 1.00 0.00 WT2 O ATOM 30287 H1 TIP3 3449 7.804 -1.770 -17.238 1.00 0.00 WT2 H ATOM 30288 H2 TIP3 3449 -7.786 -5.320 11.389 1.00 0.00 WT2 H ATOM 30289 OH2 TIP3 3450 -1.114 -5.334 5.069 1.00 0.00 WT2 O ATOM 30290 H1 TIP3 3450 17.021 13.093 3.702 1.00 0.00 WT2 H ATOM 30291 H2 TIP3 3450 18.391 17.515 2.603 1.00 0.00 WT2 H ATOM 30292 OH2 TIP3 3465 -4.286 3.678 -1.749 1.00 0.00 WT2 O ATOM 30293 H1 TIP3 3465 -3.599 -18.055 11.435 1.00 0.00 WT2 H ATOM 30294 H2 TIP3 3465 -11.175 17.378 -22.109 1.00 0.00 WT2 H ATOM 30295 OH2 TIP3 3466 -1.737 5.778 -2.744 1.00 0.00 WT2 O ATOM 30296 H1 TIP3 3466 29.626 -6.613 16.714 1.00 0.00 WT2 H ATOM 30297 H2 TIP3 3466 5.652 -7.878 5.357 1.00 0.00 WT2 H ATOM 30298 OH2 TIP3 3467 -0.103 7.675 -2.163 1.00 0.00 WT2 O ATOM 30299 H1 TIP3 3467 -2.597 -0.442 8.741 1.00 0.00 WT2 H ATOM 30300 H2 TIP3 3467 -29.307 0.469 22.727 1.00 0.00 WT2 H ATOM 30301 OH2 TIP3 3470 -0.616 0.857 -4.617 1.00 0.00 WT2 O ATOM 30302 H1 TIP3 3470 0.711 9.656 -1.195 1.00 0.00 WT2 H ATOM 30303 H2 TIP3 3470 -4.972 8.880 2.125 1.00 0.00 WT2 H ATOM 30304 OH2 TIP3 3471 2.762 0.582 1.562 1.00 0.00 WT2 O ATOM 30305 H1 TIP3 3471 11.105 14.312 12.326 1.00 0.00 WT2 H ATOM 30306 H2 TIP3 3471 2.613 -33.158 -6.938 1.00 0.00 WT2 H ATOM 30307 OH2 TIP3 3472 -2.345 4.435 4.198 1.00 0.00 WT2 O ATOM 30308 H1 TIP3 3472 -1.649 -2.019 2.100 1.00 0.00 WT2 H ATOM 30309 H2 TIP3 3472 0.720 4.999 9.501 1.00 0.00 WT2 H ATOM 30310 OH2 TIP3 3473 3.723 -0.731 -2.956 1.00 0.00 WT2 O ATOM 30311 H1 TIP3 3473 17.661 -2.865 5.507 1.00 0.00 WT2 H ATOM 30312 H2 TIP3 3473 2.392 13.642 15.365 1.00 0.00 WT2 H ATOM 30313 OH2 TIP3 3484 -0.089 0.337 -1.140 1.00 0.00 WT2 O ATOM 30314 H1 TIP3 3484 -1.783 3.518 4.314 1.00 0.00 WT2 H ATOM 30315 H2 TIP3 3484 14.750 12.877 13.699 1.00 0.00 WT2 H ATOM 30316 OH2 TIP3 3486 -5.055 -0.961 1.240 1.00 0.00 WT2 O ATOM 30317 H1 TIP3 3486 -9.215 18.851 -30.004 1.00 0.00 WT2 H ATOM 30318 H2 TIP3 3486 0.353 16.760 4.634 1.00 0.00 WT2 H ATOM 30319 OH2 TIP3 3488 -1.096 3.840 -2.068 1.00 0.00 WT2 O ATOM 30320 H1 TIP3 3488 -11.884 9.897 7.649 1.00 0.00 WT2 H ATOM 30321 H2 TIP3 3488 5.631 -0.577 -8.200 1.00 0.00 WT2 H ATOM 30322 OH2 TIP3 3489 0.649 -7.150 -0.268 1.00 0.00 WT2 O ATOM 30323 H1 TIP3 3489 17.174 -15.473 6.409 1.00 0.00 WT2 H ATOM 30324 H2 TIP3 3489 -8.089 -4.196 -2.185 1.00 0.00 WT2 H ATOM 30325 OH2 TIP3 3490 1.429 8.124 5.609 1.00 0.00 WT2 O ATOM 30326 H1 TIP3 3490 -3.758 18.709 -0.441 1.00 0.00 WT2 H ATOM 30327 H2 TIP3 3490 14.574 7.197 -0.532 1.00 0.00 WT2 H ATOM 30328 OH2 TIP3 3494 3.317 -2.461 -2.387 1.00 0.00 WT2 O ATOM 30329 H1 TIP3 3494 10.144 6.540 9.368 1.00 0.00 WT2 H ATOM 30330 H2 TIP3 3494 8.142 -2.876 12.345 1.00 0.00 WT2 H ATOM 30331 OH2 TIP3 3495 3.347 -1.056 4.234 1.00 0.00 WT2 O ATOM 30332 H1 TIP3 3495 -7.525 6.537 -3.426 1.00 0.00 WT2 H ATOM 30333 H2 TIP3 3495 -23.093 11.751 -11.769 1.00 0.00 WT2 H ATOM 30334 OH2 TIP3 3508 7.109 4.918 -1.953 1.00 0.00 WT2 O ATOM 30335 H1 TIP3 3508 -28.805 10.801 -9.953 1.00 0.00 WT2 H ATOM 30336 H2 TIP3 3508 29.419 9.814 2.389 1.00 0.00 WT2 H ATOM 30337 OH2 TIP3 3510 -0.895 2.091 -1.004 1.00 0.00 WT2 O ATOM 30338 H1 TIP3 3510 7.793 10.870 -18.518 1.00 0.00 WT2 H ATOM 30339 H2 TIP3 3510 6.457 21.769 5.412 1.00 0.00 WT2 H ATOM 30340 OH2 TIP3 3511 -6.420 -0.672 -1.825 1.00 0.00 WT2 O ATOM 30341 H1 TIP3 3511 4.119 -17.216 12.351 1.00 0.00 WT2 H ATOM 30342 H2 TIP3 3511 14.222 -4.811 13.476 1.00 0.00 WT2 H ATOM 30343 OH2 TIP3 3512 2.836 3.191 4.518 1.00 0.00 WT2 O ATOM 30344 H1 TIP3 3512 7.157 -2.165 3.637 1.00 0.00 WT2 H ATOM 30345 H2 TIP3 3512 3.709 1.660 4.291 1.00 0.00 WT2 H ATOM 30346 OH2 TIP3 3513 -1.199 2.152 1.683 1.00 0.00 WT2 O ATOM 30347 H1 TIP3 3513 -16.589 -25.085 -6.559 1.00 0.00 WT2 H ATOM 30348 H2 TIP3 3513 15.894 27.351 -1.877 1.00 0.00 WT2 H ATOM 30349 OH2 TIP3 3514 -4.980 -3.177 6.937 1.00 0.00 WT2 O ATOM 30350 H1 TIP3 3514 -4.278 1.498 1.739 1.00 0.00 WT2 H ATOM 30351 H2 TIP3 3514 -2.567 -15.722 -3.617 1.00 0.00 WT2 H ATOM 30352 OH2 TIP3 3516 0.918 -1.032 -1.815 1.00 0.00 WT2 O ATOM 30353 H1 TIP3 3516 31.113 32.505 -9.616 1.00 0.00 WT2 H ATOM 30354 H2 TIP3 3516 -14.864 6.088 -0.797 1.00 0.00 WT2 H ATOM 30355 OH2 TIP3 3526 -4.895 -0.997 -0.713 1.00 0.00 WT2 O ATOM 30356 H1 TIP3 3526 -0.718 -4.939 3.070 1.00 0.00 WT2 H ATOM 30357 H2 TIP3 3526 -13.361 4.784 -5.076 1.00 0.00 WT2 H ATOM 30358 OH2 TIP3 3527 -3.378 -1.565 0.325 1.00 0.00 WT2 O ATOM 30359 H1 TIP3 3527 -12.407 4.636 4.640 1.00 0.00 WT2 H ATOM 30360 H2 TIP3 3527 -7.024 -19.063 8.947 1.00 0.00 WT2 H ATOM 30361 OH2 TIP3 3530 -5.077 -0.895 4.969 1.00 0.00 WT2 O ATOM 30362 H1 TIP3 3530 2.334 -2.937 10.378 1.00 0.00 WT2 H ATOM 30363 H2 TIP3 3530 0.857 6.637 6.343 1.00 0.00 WT2 H ATOM 30364 OH2 TIP3 3531 -3.780 -0.343 -1.256 1.00 0.00 WT2 O ATOM 30365 H1 TIP3 3531 -7.119 2.975 -3.389 1.00 0.00 WT2 H ATOM 30366 H2 TIP3 3531 -9.904 0.522 -11.078 1.00 0.00 WT2 H ATOM 30367 OH2 TIP3 3533 0.855 0.683 -5.431 1.00 0.00 WT2 O ATOM 30368 H1 TIP3 3533 -1.412 -17.163 -6.861 1.00 0.00 WT2 H ATOM 30369 H2 TIP3 3533 -4.087 -14.341 8.781 1.00 0.00 WT2 H ATOM 30370 OH2 TIP3 3534 -1.305 -1.427 -6.695 1.00 0.00 WT2 O ATOM 30371 H1 TIP3 3534 11.168 0.159 -8.078 1.00 0.00 WT2 H ATOM 30372 H2 TIP3 3534 15.112 4.564 -5.071 1.00 0.00 WT2 H ATOM 30373 OH2 TIP3 3535 -2.325 -2.670 0.466 1.00 0.00 WT2 O ATOM 30374 H1 TIP3 3535 3.953 -3.957 7.579 1.00 0.00 WT2 H ATOM 30375 H2 TIP3 3535 -6.302 -16.080 1.867 1.00 0.00 WT2 H ATOM 30376 OH2 TIP3 3536 1.308 1.601 -3.337 1.00 0.00 WT2 O ATOM 30377 H1 TIP3 3536 -3.973 18.914 6.480 1.00 0.00 WT2 H ATOM 30378 H2 TIP3 3536 -8.429 16.213 8.926 1.00 0.00 WT2 H ATOM 30379 OH2 TIP3 3545 -1.560 4.144 1.866 1.00 0.00 WT2 O ATOM 30380 H1 TIP3 3545 15.310 -1.102 -1.602 1.00 0.00 WT2 H ATOM 30381 H2 TIP3 3545 -8.106 -5.939 5.713 1.00 0.00 WT2 H ATOM 30382 OH2 TIP3 3548 1.116 -6.234 -0.705 1.00 0.00 WT2 O ATOM 30383 H1 TIP3 3548 -8.710 3.324 -1.662 1.00 0.00 WT2 H ATOM 30384 H2 TIP3 3548 14.872 -14.381 3.301 1.00 0.00 WT2 H ATOM 30385 OH2 TIP3 3549 -7.407 2.723 4.708 1.00 0.00 WT2 O ATOM 30386 H1 TIP3 3549 -11.522 6.413 -4.649 1.00 0.00 WT2 H ATOM 30387 H2 TIP3 3549 8.592 -4.468 27.287 1.00 0.00 WT2 H ATOM 30388 OH2 TIP3 3550 0.100 6.379 3.611 1.00 0.00 WT2 O ATOM 30389 H1 TIP3 3550 2.903 0.224 6.145 1.00 0.00 WT2 H ATOM 30390 H2 TIP3 3550 4.832 -1.401 6.783 1.00 0.00 WT2 H ATOM 30391 OH2 TIP3 3551 1.263 -5.930 -4.587 1.00 0.00 WT2 O ATOM 30392 H1 TIP3 3551 -30.245 -10.964 -4.004 1.00 0.00 WT2 H ATOM 30393 H2 TIP3 3551 13.228 -8.494 0.525 1.00 0.00 WT2 H ATOM 30394 OH2 TIP3 3554 -2.811 -1.373 -1.472 1.00 0.00 WT2 O ATOM 30395 H1 TIP3 3554 33.076 -23.006 14.740 1.00 0.00 WT2 H ATOM 30396 H2 TIP3 3554 18.869 -17.161 3.190 1.00 0.00 WT2 H ATOM 30397 OH2 TIP3 3555 -2.509 3.413 2.989 1.00 0.00 WT2 O ATOM 30398 H1 TIP3 3555 7.817 17.611 10.400 1.00 0.00 WT2 H ATOM 30399 H2 TIP3 3555 3.347 10.255 4.086 1.00 0.00 WT2 H ATOM 30400 OH2 TIP3 3559 -1.362 -0.748 -4.074 1.00 0.00 WT2 O ATOM 30401 H1 TIP3 3559 -2.466 -10.011 12.105 1.00 0.00 WT2 H ATOM 30402 H2 TIP3 3559 -1.478 1.501 0.718 1.00 0.00 WT2 H ATOM 30403 OH2 TIP3 3569 -0.328 -4.393 -1.790 1.00 0.00 WT2 O ATOM 30404 H1 TIP3 3569 7.789 -8.517 -3.614 1.00 0.00 WT2 H ATOM 30405 H2 TIP3 3569 5.583 -6.832 -0.970 1.00 0.00 WT2 H ATOM 30406 OH2 TIP3 3570 -3.329 -1.716 -3.199 1.00 0.00 WT2 O ATOM 30407 H1 TIP3 3570 -0.277 -2.577 0.627 1.00 0.00 WT2 H ATOM 30408 H2 TIP3 3570 -4.638 -0.545 -5.045 1.00 0.00 WT2 H ATOM 30409 OH2 TIP3 3572 1.842 6.011 -0.426 1.00 0.00 WT2 O ATOM 30410 H1 TIP3 3572 17.314 -8.471 7.388 1.00 0.00 WT2 H ATOM 30411 H2 TIP3 3572 -1.423 5.712 -15.272 1.00 0.00 WT2 H ATOM 30412 OH2 TIP3 3573 -5.679 5.613 -0.975 1.00 0.00 WT2 O ATOM 30413 H1 TIP3 3573 -11.528 15.330 -28.608 1.00 0.00 WT2 H ATOM 30414 H2 TIP3 3573 5.103 4.450 -8.124 1.00 0.00 WT2 H ATOM 30415 OH2 TIP3 3574 4.086 2.801 2.344 1.00 0.00 WT2 O ATOM 30416 H1 TIP3 3574 2.431 6.403 12.247 1.00 0.00 WT2 H ATOM 30417 H2 TIP3 3574 1.133 15.261 -10.409 1.00 0.00 WT2 H ATOM 30418 OH2 TIP3 3575 -2.193 -3.557 -0.639 1.00 0.00 WT2 O ATOM 30419 H1 TIP3 3575 3.133 20.456 10.861 1.00 0.00 WT2 H ATOM 30420 H2 TIP3 3575 -0.578 -26.972 17.261 1.00 0.00 WT2 H ATOM 30421 OH2 TIP3 3591 1.465 -4.173 -0.904 1.00 0.00 WT2 O ATOM 30422 H1 TIP3 3591 -4.761 14.151 3.641 1.00 0.00 WT2 H ATOM 30423 H2 TIP3 3591 -8.427 19.817 -8.400 1.00 0.00 WT2 H ATOM 30424 OH2 TIP3 3593 -1.023 -7.797 -4.001 1.00 0.00 WT2 O ATOM 30425 H1 TIP3 3593 3.376 1.704 8.215 1.00 0.00 WT2 H ATOM 30426 H2 TIP3 3593 1.859 -7.281 -5.538 1.00 0.00 WT2 H ATOM 30427 OH2 TIP3 3594 2.463 1.077 4.922 1.00 0.00 WT2 O ATOM 30428 H1 TIP3 3594 -2.948 -1.244 12.885 1.00 0.00 WT2 H ATOM 30429 H2 TIP3 3594 7.713 2.950 -5.435 1.00 0.00 WT2 H ATOM 30430 OH2 TIP3 3595 -6.947 0.154 -0.379 1.00 0.00 WT2 O ATOM 30431 H1 TIP3 3595 -0.906 -20.829 -18.746 1.00 0.00 WT2 H ATOM 30432 H2 TIP3 3595 0.238 16.659 -18.268 1.00 0.00 WT2 H ATOM 30433 OH2 TIP3 3596 -6.621 0.354 -0.983 1.00 0.00 WT2 O ATOM 30434 H1 TIP3 3596 9.100 -14.490 -15.988 1.00 0.00 WT2 H ATOM 30435 H2 TIP3 3596 4.734 -10.146 18.810 1.00 0.00 WT2 H ATOM 30436 OH2 TIP3 3597 -0.714 4.377 3.847 1.00 0.00 WT2 O ATOM 30437 H1 TIP3 3597 20.365 1.583 7.218 1.00 0.00 WT2 H ATOM 30438 H2 TIP3 3597 -5.226 -12.560 -6.786 1.00 0.00 WT2 H ATOM 30439 OH2 TIP3 3599 -0.809 1.126 -8.567 1.00 0.00 WT2 O ATOM 30440 H1 TIP3 3599 0.528 -16.802 -11.350 1.00 0.00 WT2 H ATOM 30441 H2 TIP3 3599 -1.024 -3.079 8.754 1.00 0.00 WT2 H ATOM 30442 OH2 TIP3 3612 -4.404 -0.927 -2.148 1.00 0.00 WT2 O ATOM 30443 H1 TIP3 3612 -31.456 -4.238 2.822 1.00 0.00 WT2 H ATOM 30444 H2 TIP3 3612 -8.484 -2.929 -4.250 1.00 0.00 WT2 H ATOM 30445 OH2 TIP3 3614 -5.287 4.108 2.052 1.00 0.00 WT2 O ATOM 30446 H1 TIP3 3614 -3.298 2.351 9.005 1.00 0.00 WT2 H ATOM 30447 H2 TIP3 3614 31.389 6.155 -6.964 1.00 0.00 WT2 H ATOM 30448 OH2 TIP3 3615 4.622 -1.881 0.154 1.00 0.00 WT2 O ATOM 30449 H1 TIP3 3615 -3.756 21.388 -4.637 1.00 0.00 WT2 H ATOM 30450 H2 TIP3 3615 -4.665 -1.188 -0.936 1.00 0.00 WT2 H ATOM 30451 OH2 TIP3 3619 -1.577 1.781 3.307 1.00 0.00 WT2 O ATOM 30452 H1 TIP3 3619 -5.550 -4.219 -0.924 1.00 0.00 WT2 H ATOM 30453 H2 TIP3 3619 5.829 0.646 0.239 1.00 0.00 WT2 H ATOM 30454 OH2 TIP3 3623 4.743 -3.949 4.727 1.00 0.00 WT2 O ATOM 30455 H1 TIP3 3623 -3.530 0.747 13.862 1.00 0.00 WT2 H ATOM 30456 H2 TIP3 3623 10.641 -2.984 7.678 1.00 0.00 WT2 H ATOM 30457 OH2 TIP3 3633 0.891 -0.719 -5.229 1.00 0.00 WT2 O ATOM 30458 H1 TIP3 3633 -4.497 0.946 -17.118 1.00 0.00 WT2 H ATOM 30459 H2 TIP3 3633 2.084 11.629 -14.537 1.00 0.00 WT2 H ATOM 30460 OH2 TIP3 3634 -4.518 1.592 2.249 1.00 0.00 WT2 O ATOM 30461 H1 TIP3 3634 -14.569 -14.451 3.045 1.00 0.00 WT2 H ATOM 30462 H2 TIP3 3634 7.858 6.679 19.655 1.00 0.00 WT2 H ATOM 30463 OH2 TIP3 3636 0.323 3.075 2.861 1.00 0.00 WT2 O ATOM 30464 H1 TIP3 3636 -3.205 2.984 3.395 1.00 0.00 WT2 H ATOM 30465 H2 TIP3 3636 8.020 2.670 -2.757 1.00 0.00 WT2 H ATOM 30466 OH2 TIP3 3638 -0.001 0.135 5.152 1.00 0.00 WT2 O ATOM 30467 H1 TIP3 3638 13.332 -9.769 17.865 1.00 0.00 WT2 H ATOM 30468 H2 TIP3 3638 14.536 -19.017 16.678 1.00 0.00 WT2 H ATOM 30469 OH2 TIP3 3639 4.000 0.586 0.506 1.00 0.00 WT2 O ATOM 30470 H1 TIP3 3639 -17.831 -6.845 12.899 1.00 0.00 WT2 H ATOM 30471 H2 TIP3 3639 12.505 20.329 10.551 1.00 0.00 WT2 H ATOM 30472 OH2 TIP3 3641 -0.385 -5.031 2.395 1.00 0.00 WT2 O ATOM 30473 H1 TIP3 3641 -5.154 -8.734 -6.749 1.00 0.00 WT2 H ATOM 30474 H2 TIP3 3641 -2.766 -3.166 7.309 1.00 0.00 WT2 H ATOM 30475 OH2 TIP3 3650 2.185 -2.223 -1.999 1.00 0.00 WT2 O ATOM 30476 H1 TIP3 3650 -0.034 6.467 3.105 1.00 0.00 WT2 H ATOM 30477 H2 TIP3 3650 8.622 0.104 9.500 1.00 0.00 WT2 H ATOM 30478 OH2 TIP3 3651 4.784 4.462 1.926 1.00 0.00 WT2 O ATOM 30479 H1 TIP3 3651 9.436 17.798 17.550 1.00 0.00 WT2 H ATOM 30480 H2 TIP3 3651 6.643 1.276 -2.422 1.00 0.00 WT2 H ATOM 30481 OH2 TIP3 3653 0.311 -5.131 -0.865 1.00 0.00 WT2 O ATOM 30482 H1 TIP3 3653 7.388 9.101 -1.787 1.00 0.00 WT2 H ATOM 30483 H2 TIP3 3653 2.442 -3.759 -17.699 1.00 0.00 WT2 H ATOM 30484 OH2 TIP3 3659 -1.233 -2.798 -5.532 1.00 0.00 WT2 O ATOM 30485 H1 TIP3 3659 16.403 4.029 24.625 1.00 0.00 WT2 H ATOM 30486 H2 TIP3 3659 3.838 -2.652 -4.147 1.00 0.00 WT2 H ATOM 30487 OH2 TIP3 3660 0.227 4.230 -0.645 1.00 0.00 WT2 O ATOM 30488 H1 TIP3 3660 -7.417 4.455 -11.263 1.00 0.00 WT2 H ATOM 30489 H2 TIP3 3660 -14.228 -4.887 -15.956 1.00 0.00 WT2 H ATOM 30490 OH2 TIP3 3661 0.068 4.140 0.912 1.00 0.00 WT2 O ATOM 30491 H1 TIP3 3661 14.942 13.087 -12.487 1.00 0.00 WT2 H ATOM 30492 H2 TIP3 3661 1.010 9.149 2.620 1.00 0.00 WT2 H ATOM 30493 OH2 TIP3 3662 3.651 4.415 1.515 1.00 0.00 WT2 O ATOM 30494 H1 TIP3 3662 -0.344 29.261 -7.130 1.00 0.00 WT2 H ATOM 30495 H2 TIP3 3662 5.398 -33.261 23.036 1.00 0.00 WT2 H ATOM 30496 OH2 TIP3 3674 -2.600 0.036 2.860 1.00 0.00 WT2 O ATOM 30497 H1 TIP3 3674 0.881 -3.327 10.339 1.00 0.00 WT2 H ATOM 30498 H2 TIP3 3674 -0.765 -2.303 5.207 1.00 0.00 WT2 H ATOM 30499 OH2 TIP3 3675 -1.236 -7.393 8.231 1.00 0.00 WT2 O ATOM 30500 H1 TIP3 3675 10.067 0.435 10.495 1.00 0.00 WT2 H ATOM 30501 H2 TIP3 3675 -4.085 -15.044 20.283 1.00 0.00 WT2 H ATOM 30502 OH2 TIP3 3677 -4.161 -4.702 1.786 1.00 0.00 WT2 O ATOM 30503 H1 TIP3 3677 -12.904 -12.723 21.089 1.00 0.00 WT2 H ATOM 30504 H2 TIP3 3677 -25.716 9.122 -6.861 1.00 0.00 WT2 H ATOM 30505 OH2 TIP3 3681 -2.754 -0.226 -3.462 1.00 0.00 WT2 O ATOM 30506 H1 TIP3 3681 -3.837 -14.086 -1.494 1.00 0.00 WT2 H ATOM 30507 H2 TIP3 3681 19.943 -17.637 -0.428 1.00 0.00 WT2 H ATOM 30508 OH2 TIP3 3693 -0.573 5.113 4.800 1.00 0.00 WT2 O ATOM 30509 H1 TIP3 3693 -32.049 3.952 -40.429 1.00 0.00 WT2 H ATOM 30510 H2 TIP3 3693 5.282 3.540 11.766 1.00 0.00 WT2 H ATOM 30511 OH2 TIP3 3697 7.423 -6.518 -2.184 1.00 0.00 WT2 O ATOM 30512 H1 TIP3 3697 -0.513 -12.381 11.753 1.00 0.00 WT2 H ATOM 30513 H2 TIP3 3697 -4.657 -17.714 -5.989 1.00 0.00 WT2 H ATOM 30514 OH2 TIP3 3698 2.606 3.355 0.175 1.00 0.00 WT2 O ATOM 30515 H1 TIP3 3698 -4.252 17.329 24.622 1.00 0.00 WT2 H ATOM 30516 H2 TIP3 3698 8.587 3.318 -0.523 1.00 0.00 WT2 H ATOM 30517 OH2 TIP3 3700 3.216 0.822 3.803 1.00 0.00 WT2 O ATOM 30518 H1 TIP3 3700 9.553 -25.466 5.799 1.00 0.00 WT2 H ATOM 30519 H2 TIP3 3700 2.545 22.322 14.385 1.00 0.00 WT2 H ATOM 30520 OH2 TIP3 3701 -5.049 2.889 4.545 1.00 0.00 WT2 O ATOM 30521 H1 TIP3 3701 13.844 15.023 -14.431 1.00 0.00 WT2 H ATOM 30522 H2 TIP3 3701 -3.639 -24.445 2.494 1.00 0.00 WT2 H ATOM 30523 OH2 TIP3 3702 -1.184 0.688 3.508 1.00 0.00 WT2 O ATOM 30524 H1 TIP3 3702 -14.078 5.686 0.177 1.00 0.00 WT2 H ATOM 30525 H2 TIP3 3702 2.849 -2.044 2.073 1.00 0.00 WT2 H ATOM 30526 OH2 TIP3 3703 1.420 -2.084 -3.098 1.00 0.00 WT2 O ATOM 30527 H1 TIP3 3703 12.907 -7.105 -0.485 1.00 0.00 WT2 H ATOM 30528 H2 TIP3 3703 -11.688 3.654 -3.685 1.00 0.00 WT2 H ATOM 30529 OH2 TIP3 3705 -0.213 -2.538 5.178 1.00 0.00 WT2 O ATOM 30530 H1 TIP3 3705 -16.231 5.454 9.879 1.00 0.00 WT2 H ATOM 30531 H2 TIP3 3705 4.506 -18.414 1.111 1.00 0.00 WT2 H ATOM 30532 OH2 TIP3 3708 0.543 -2.749 3.599 1.00 0.00 WT2 O ATOM 30533 H1 TIP3 3708 -7.279 0.963 -3.168 1.00 0.00 WT2 H ATOM 30534 H2 TIP3 3708 11.683 0.894 -0.069 1.00 0.00 WT2 H ATOM 30535 OH2 TIP3 3718 1.983 -1.766 -0.227 1.00 0.00 WT2 O ATOM 30536 H1 TIP3 3718 -2.387 -8.089 -6.969 1.00 0.00 WT2 H ATOM 30537 H2 TIP3 3718 4.135 5.466 -0.073 1.00 0.00 WT2 H ATOM 30538 OH2 TIP3 3719 6.069 -6.531 -4.937 1.00 0.00 WT2 O ATOM 30539 H1 TIP3 3719 20.294 -18.983 0.769 1.00 0.00 WT2 H ATOM 30540 H2 TIP3 3719 4.565 2.334 2.762 1.00 0.00 WT2 H ATOM 30541 OH2 TIP3 3720 1.851 3.395 -1.323 1.00 0.00 WT2 O ATOM 30542 H1 TIP3 3720 -0.751 28.045 -28.425 1.00 0.00 WT2 H ATOM 30543 H2 TIP3 3720 1.585 -1.480 7.666 1.00 0.00 WT2 H ATOM 30544 OH2 TIP3 3721 -5.846 2.933 3.590 1.00 0.00 WT2 O ATOM 30545 H1 TIP3 3721 -7.648 2.339 6.393 1.00 0.00 WT2 H ATOM 30546 H2 TIP3 3721 -8.488 -3.446 6.811 1.00 0.00 WT2 H ATOM 30547 OH2 TIP3 3722 -0.163 0.664 -2.977 1.00 0.00 WT2 O ATOM 30548 H1 TIP3 3722 -9.609 3.137 -3.073 1.00 0.00 WT2 H ATOM 30549 H2 TIP3 3722 1.785 -8.955 -2.303 1.00 0.00 WT2 H ATOM 30550 OH2 TIP3 3723 -2.632 0.262 -2.363 1.00 0.00 WT2 O ATOM 30551 H1 TIP3 3723 -18.352 -0.655 -1.235 1.00 0.00 WT2 H ATOM 30552 H2 TIP3 3723 5.897 0.048 16.230 1.00 0.00 WT2 H ATOM 30553 OH2 TIP3 3727 5.431 8.188 -0.083 1.00 0.00 WT2 O ATOM 30554 H1 TIP3 3727 -3.898 8.028 6.841 1.00 0.00 WT2 H ATOM 30555 H2 TIP3 3727 15.540 6.483 7.302 1.00 0.00 WT2 H ATOM 30556 OH2 TIP3 3737 -6.579 0.056 -5.479 1.00 0.00 WT2 O ATOM 30557 H1 TIP3 3737 -5.003 -22.693 7.875 1.00 0.00 WT2 H ATOM 30558 H2 TIP3 3737 14.100 9.131 -14.445 1.00 0.00 WT2 H ATOM 30559 OH2 TIP3 3740 -4.706 -2.181 3.828 1.00 0.00 WT2 O ATOM 30560 H1 TIP3 3740 -4.056 -8.778 0.527 1.00 0.00 WT2 H ATOM 30561 H2 TIP3 3740 -7.268 -5.157 6.297 1.00 0.00 WT2 H ATOM 30562 OH2 TIP3 3743 1.834 -0.954 -0.128 1.00 0.00 WT2 O ATOM 30563 H1 TIP3 3743 15.758 6.860 2.399 1.00 0.00 WT2 H ATOM 30564 H2 TIP3 3743 -19.415 0.928 5.405 1.00 0.00 WT2 H ATOM 30565 OH2 TIP3 3757 5.829 -0.961 -0.690 1.00 0.00 WT2 O ATOM 30566 H1 TIP3 3757 10.365 -5.212 -8.489 1.00 0.00 WT2 H ATOM 30567 H2 TIP3 3757 6.559 6.689 -6.696 1.00 0.00 WT2 H ATOM 30568 OH2 TIP3 3758 -0.672 3.169 1.523 1.00 0.00 WT2 O ATOM 30569 H1 TIP3 3758 -11.153 -9.815 -10.635 1.00 0.00 WT2 H ATOM 30570 H2 TIP3 3758 2.486 9.919 8.665 1.00 0.00 WT2 H ATOM 30571 OH2 TIP3 3761 -2.941 4.775 -0.661 1.00 0.00 WT2 O ATOM 30572 H1 TIP3 3761 20.033 -28.198 -15.159 1.00 0.00 WT2 H ATOM 30573 H2 TIP3 3761 2.586 25.429 7.519 1.00 0.00 WT2 H ATOM 30574 OH2 TIP3 3762 -5.690 1.066 2.782 1.00 0.00 WT2 O ATOM 30575 H1 TIP3 3762 -15.993 -8.534 -14.733 1.00 0.00 WT2 H ATOM 30576 H2 TIP3 3762 -8.876 23.437 -4.078 1.00 0.00 WT2 H ATOM 30577 OH2 TIP3 3763 -0.531 -3.952 0.840 1.00 0.00 WT2 O ATOM 30578 H1 TIP3 3763 -0.513 1.414 -11.834 1.00 0.00 WT2 H ATOM 30579 H2 TIP3 3763 -2.241 -5.453 21.851 1.00 0.00 WT2 H ATOM 30580 OH2 TIP3 3764 -1.791 0.606 1.728 1.00 0.00 WT2 O ATOM 30581 H1 TIP3 3764 2.504 14.467 8.623 1.00 0.00 WT2 H ATOM 30582 H2 TIP3 3764 -5.237 -1.312 -19.731 1.00 0.00 WT2 H ATOM 30583 OH2 TIP3 3765 -2.393 -0.125 -9.039 1.00 0.00 WT2 O ATOM 30584 H1 TIP3 3765 15.358 5.344 -18.909 1.00 0.00 WT2 H ATOM 30585 H2 TIP3 3765 -13.768 -20.676 -4.270 1.00 0.00 WT2 H ATOM 30586 OH2 TIP3 3770 -3.227 -7.057 1.329 1.00 0.00 WT2 O ATOM 30587 H1 TIP3 3770 -7.596 -1.358 -2.139 1.00 0.00 WT2 H ATOM 30588 H2 TIP3 3770 4.295 -0.657 3.263 1.00 0.00 WT2 H ATOM 30589 OH2 TIP3 3776 0.488 -1.025 -0.967 1.00 0.00 WT2 O ATOM 30590 H1 TIP3 3776 1.868 0.626 1.360 1.00 0.00 WT2 H ATOM 30591 H2 TIP3 3776 9.275 13.575 -1.803 1.00 0.00 WT2 H ATOM 30592 OH2 TIP3 3779 0.869 1.973 4.228 1.00 0.00 WT2 O ATOM 30593 H1 TIP3 3779 2.069 -5.337 11.375 1.00 0.00 WT2 H ATOM 30594 H2 TIP3 3779 -4.157 -12.801 15.625 1.00 0.00 WT2 H ATOM 30595 OH2 TIP3 3783 0.312 -3.372 -2.147 1.00 0.00 WT2 O ATOM 30596 H1 TIP3 3783 -7.804 16.480 -22.028 1.00 0.00 WT2 H ATOM 30597 H2 TIP3 3783 -8.728 0.305 5.553 1.00 0.00 WT2 H ATOM 30598 OH2 TIP3 3784 1.388 6.557 2.725 1.00 0.00 WT2 O ATOM 30599 H1 TIP3 3784 -21.949 -8.256 7.705 1.00 0.00 WT2 H ATOM 30600 H2 TIP3 3784 18.119 8.854 -9.438 1.00 0.00 WT2 H ATOM 30601 OH2 TIP3 3785 2.394 -1.872 1.563 1.00 0.00 WT2 O ATOM 30602 H1 TIP3 3785 5.991 -0.689 -6.252 1.00 0.00 WT2 H ATOM 30603 H2 TIP3 3785 15.082 -5.596 -8.558 1.00 0.00 WT2 H ATOM 30604 OH2 TIP3 3786 0.746 4.989 0.322 1.00 0.00 WT2 O ATOM 30605 H1 TIP3 3786 1.765 15.535 8.902 1.00 0.00 WT2 H ATOM 30606 H2 TIP3 3786 4.491 20.933 7.504 1.00 0.00 WT2 H ATOM 30607 OH2 TIP3 3798 1.423 6.889 9.595 1.00 0.00 WT2 O ATOM 30608 H1 TIP3 3798 31.485 9.901 1.413 1.00 0.00 WT2 H ATOM 30609 H2 TIP3 3798 4.258 -7.193 -1.641 1.00 0.00 WT2 H ATOM 30610 OH2 TIP3 3800 -0.369 4.066 6.391 1.00 0.00 WT2 O ATOM 30611 H1 TIP3 3800 0.939 -11.852 -10.701 1.00 0.00 WT2 H ATOM 30612 H2 TIP3 3800 10.466 -8.776 -4.171 1.00 0.00 WT2 H ATOM 30613 OH2 TIP3 3801 4.434 -3.565 2.840 1.00 0.00 WT2 O ATOM 30614 H1 TIP3 3801 13.606 12.174 -6.877 1.00 0.00 WT2 H ATOM 30615 H2 TIP3 3801 10.904 14.628 5.861 1.00 0.00 WT2 H ATOM 30616 OH2 TIP3 3802 -0.775 -0.583 -3.099 1.00 0.00 WT2 O ATOM 30617 H1 TIP3 3802 5.066 6.069 17.755 1.00 0.00 WT2 H ATOM 30618 H2 TIP3 3802 24.655 7.291 -0.930 1.00 0.00 WT2 H ATOM 30619 OH2 TIP3 3804 -7.253 -5.021 0.467 1.00 0.00 WT2 O ATOM 30620 H1 TIP3 3804 -18.397 -4.488 -9.589 1.00 0.00 WT2 H ATOM 30621 H2 TIP3 3804 -10.977 -3.887 -5.494 1.00 0.00 WT2 H ATOM 30622 OH2 TIP3 3805 8.461 8.310 -1.655 1.00 0.00 WT2 O ATOM 30623 H1 TIP3 3805 8.262 4.300 -4.825 1.00 0.00 WT2 H ATOM 30624 H2 TIP3 3805 6.563 11.844 -0.725 1.00 0.00 WT2 H ATOM 30625 OH2 TIP3 3806 -3.535 -7.321 -1.194 1.00 0.00 WT2 O ATOM 30626 H1 TIP3 3806 -8.778 -3.402 -4.930 1.00 0.00 WT2 H ATOM 30627 H2 TIP3 3806 0.979 6.008 -8.372 1.00 0.00 WT2 H ATOM 30628 OH2 TIP3 3807 0.802 -2.364 -1.570 1.00 0.00 WT2 O ATOM 30629 H1 TIP3 3807 -4.415 0.585 5.872 1.00 0.00 WT2 H ATOM 30630 H2 TIP3 3807 -9.441 2.785 12.123 1.00 0.00 WT2 H ATOM 30631 OH2 TIP3 3808 -3.953 -1.771 5.740 1.00 0.00 WT2 O ATOM 30632 H1 TIP3 3808 10.084 -10.571 14.770 1.00 0.00 WT2 H ATOM 30633 H2 TIP3 3808 -3.095 -13.944 -12.841 1.00 0.00 WT2 H ATOM 30634 OH2 TIP3 3809 -1.417 -2.416 -1.543 1.00 0.00 WT2 O ATOM 30635 H1 TIP3 3809 -0.944 -20.494 -1.999 1.00 0.00 WT2 H ATOM 30636 H2 TIP3 3809 7.218 -8.085 -7.844 1.00 0.00 WT2 H ATOM 30637 OH2 TIP3 3821 4.293 -1.933 0.991 1.00 0.00 WT2 O ATOM 30638 H1 TIP3 3821 1.924 15.694 12.259 1.00 0.00 WT2 H ATOM 30639 H2 TIP3 3821 11.441 4.370 -22.982 1.00 0.00 WT2 H ATOM 30640 OH2 TIP3 3823 7.169 4.959 -2.336 1.00 0.00 WT2 O ATOM 30641 H1 TIP3 3823 -2.418 -12.636 -4.211 1.00 0.00 WT2 H ATOM 30642 H2 TIP3 3823 -1.724 -1.551 -12.542 1.00 0.00 WT2 H ATOM 30643 OH2 TIP3 3826 -2.898 -6.410 -5.052 1.00 0.00 WT2 O ATOM 30644 H1 TIP3 3826 6.343 7.266 7.501 1.00 0.00 WT2 H ATOM 30645 H2 TIP3 3826 -1.719 -4.445 -3.240 1.00 0.00 WT2 H ATOM 30646 OH2 TIP3 3827 -0.687 -1.249 -0.625 1.00 0.00 WT2 O ATOM 30647 H1 TIP3 3827 -6.340 12.978 0.777 1.00 0.00 WT2 H ATOM 30648 H2 TIP3 3827 7.650 -4.604 -5.332 1.00 0.00 WT2 H ATOM 30649 OH2 TIP3 3828 9.589 -0.632 -1.547 1.00 0.00 WT2 O ATOM 30650 H1 TIP3 3828 20.728 2.934 3.073 1.00 0.00 WT2 H ATOM 30651 H2 TIP3 3828 12.197 -1.753 -6.963 1.00 0.00 WT2 H ATOM 30652 OH2 TIP3 3829 0.862 -4.928 -1.335 1.00 0.00 WT2 O ATOM 30653 H1 TIP3 3829 4.673 -13.586 0.589 1.00 0.00 WT2 H ATOM 30654 H2 TIP3 3829 4.171 -9.029 0.141 1.00 0.00 WT2 H ATOM 30655 OH2 TIP3 3845 -2.768 -2.002 -1.801 1.00 0.00 WT2 O ATOM 30656 H1 TIP3 3845 -12.077 6.084 -3.445 1.00 0.00 WT2 H ATOM 30657 H2 TIP3 3845 30.362 -18.403 11.653 1.00 0.00 WT2 H ATOM 30658 OH2 TIP3 3846 3.103 -1.216 9.320 1.00 0.00 WT2 O ATOM 30659 H1 TIP3 3846 -7.832 -2.852 10.341 1.00 0.00 WT2 H ATOM 30660 H2 TIP3 3846 -12.889 15.242 0.329 1.00 0.00 WT2 H ATOM 30661 OH2 TIP3 3847 -1.707 1.396 4.591 1.00 0.00 WT2 O ATOM 30662 H1 TIP3 3847 10.737 -7.334 18.600 1.00 0.00 WT2 H ATOM 30663 H2 TIP3 3847 1.663 3.707 -0.407 1.00 0.00 WT2 H ATOM 30664 OH2 TIP3 3848 2.330 -1.674 -0.486 1.00 0.00 WT2 O ATOM 30665 H1 TIP3 3848 2.174 1.110 -5.082 1.00 0.00 WT2 H ATOM 30666 H2 TIP3 3848 -1.723 1.675 -4.950 1.00 0.00 WT2 H ATOM 30667 OH2 TIP3 3849 -2.292 3.644 4.095 1.00 0.00 WT2 O ATOM 30668 H1 TIP3 3849 10.714 3.034 -2.918 1.00 0.00 WT2 H ATOM 30669 H2 TIP3 3849 0.326 1.666 7.841 1.00 0.00 WT2 H ATOM 30670 OH2 TIP3 3853 -5.200 -4.796 0.691 1.00 0.00 WT2 O ATOM 30671 H1 TIP3 3853 -22.802 6.428 6.711 1.00 0.00 WT2 H ATOM 30672 H2 TIP3 3853 8.839 -6.738 15.734 1.00 0.00 WT2 H ATOM 30673 OH2 TIP3 3863 -3.018 -3.468 1.054 1.00 0.00 WT2 O ATOM 30674 H1 TIP3 3863 5.597 -16.193 -4.608 1.00 0.00 WT2 H ATOM 30675 H2 TIP3 3863 -10.132 -12.171 12.821 1.00 0.00 WT2 H ATOM 30676 OH2 TIP3 3867 -4.126 2.061 -2.994 1.00 0.00 WT2 O ATOM 30677 H1 TIP3 3867 19.946 -4.534 -3.826 1.00 0.00 WT2 H ATOM 30678 H2 TIP3 3867 -17.519 -5.236 -17.852 1.00 0.00 WT2 H ATOM 30679 OH2 TIP3 3868 -2.029 1.635 1.117 1.00 0.00 WT2 O ATOM 30680 H1 TIP3 3868 2.044 -5.740 -2.210 1.00 0.00 WT2 H ATOM 30681 H2 TIP3 3868 -5.619 -5.339 -1.315 1.00 0.00 WT2 H ATOM 30682 OH2 TIP3 3869 4.352 -0.458 -3.859 1.00 0.00 WT2 O ATOM 30683 H1 TIP3 3869 -9.701 -2.118 4.381 1.00 0.00 WT2 H ATOM 30684 H2 TIP3 3869 7.477 0.732 15.073 1.00 0.00 WT2 H ATOM 30685 OH2 TIP3 3873 0.271 -2.757 2.787 1.00 0.00 WT2 O ATOM 30686 H1 TIP3 3873 -6.426 5.714 -8.115 1.00 0.00 WT2 H ATOM 30687 H2 TIP3 3873 14.192 -3.088 4.114 1.00 0.00 WT2 H ATOM 30688 OH2 TIP3 3875 -0.174 1.780 -2.530 1.00 0.00 WT2 O ATOM 30689 H1 TIP3 3875 25.561 15.556 6.750 1.00 0.00 WT2 H ATOM 30690 H2 TIP3 3875 -16.096 -34.360 33.510 1.00 0.00 WT2 H ATOM 30691 OH2 TIP3 3882 1.453 4.246 -4.991 1.00 0.00 WT2 O ATOM 30692 H1 TIP3 3882 -5.765 8.119 3.091 1.00 0.00 WT2 H ATOM 30693 H2 TIP3 3882 0.572 1.099 -11.266 1.00 0.00 WT2 H ATOM 30694 OH2 TIP3 3886 -0.287 -1.659 1.988 1.00 0.00 WT2 O ATOM 30695 H1 TIP3 3886 -21.973 1.225 3.734 1.00 0.00 WT2 H ATOM 30696 H2 TIP3 3886 24.090 -7.409 -2.943 1.00 0.00 WT2 H ATOM 30697 OH2 TIP3 3888 -3.013 -2.835 0.458 1.00 0.00 WT2 O ATOM 30698 H1 TIP3 3888 10.853 -34.405 -14.721 1.00 0.00 WT2 H ATOM 30699 H2 TIP3 3888 24.263 10.781 15.690 1.00 0.00 WT2 H ATOM 30700 OH2 TIP3 3889 7.056 -5.964 -0.127 1.00 0.00 WT2 O ATOM 30701 H1 TIP3 3889 11.370 -15.600 -46.048 1.00 0.00 WT2 H ATOM 30702 H2 TIP3 3889 -12.399 -2.349 2.746 1.00 0.00 WT2 H ATOM 30703 OH2 TIP3 3891 -10.376 6.154 4.641 1.00 0.00 WT2 O ATOM 30704 H1 TIP3 3891 -18.875 14.595 6.872 1.00 0.00 WT2 H ATOM 30705 H2 TIP3 3891 -2.281 -3.641 -7.128 1.00 0.00 WT2 H ATOM 30706 OH2 TIP3 3892 0.996 2.298 4.576 1.00 0.00 WT2 O ATOM 30707 H1 TIP3 3892 -5.043 -2.164 7.136 1.00 0.00 WT2 H ATOM 30708 H2 TIP3 3892 1.460 2.953 0.621 1.00 0.00 WT2 H ATOM 30709 OH2 TIP3 3907 -1.330 4.056 -5.874 1.00 0.00 WT2 O ATOM 30710 H1 TIP3 3907 2.349 8.336 3.935 1.00 0.00 WT2 H ATOM 30711 H2 TIP3 3907 18.335 -13.184 -16.675 1.00 0.00 WT2 H ATOM 30712 OH2 TIP3 3909 -1.190 1.485 -1.269 1.00 0.00 WT2 O ATOM 30713 H1 TIP3 3909 8.783 19.915 -5.134 1.00 0.00 WT2 H ATOM 30714 H2 TIP3 3909 -7.840 1.801 9.592 1.00 0.00 WT2 H ATOM 30715 OH2 TIP3 3911 5.313 3.340 -5.226 1.00 0.00 WT2 O ATOM 30716 H1 TIP3 3911 10.217 -4.493 4.855 1.00 0.00 WT2 H ATOM 30717 H2 TIP3 3911 6.365 13.254 -21.813 1.00 0.00 WT2 H ATOM 30718 OH2 TIP3 3912 -4.167 -5.405 6.074 1.00 0.00 WT2 O ATOM 30719 H1 TIP3 3912 -1.641 -6.802 -1.536 1.00 0.00 WT2 H ATOM 30720 H2 TIP3 3912 -11.416 -5.412 8.238 1.00 0.00 WT2 H ATOM 30721 OH2 TIP3 3925 -1.088 -2.558 5.701 1.00 0.00 WT2 O ATOM 30722 H1 TIP3 3925 2.180 1.523 14.593 1.00 0.00 WT2 H ATOM 30723 H2 TIP3 3925 -0.417 0.301 13.488 1.00 0.00 WT2 H ATOM 30724 OH2 TIP3 3928 1.546 -5.070 5.179 1.00 0.00 WT2 O ATOM 30725 H1 TIP3 3928 -0.033 -0.935 17.761 1.00 0.00 WT2 H ATOM 30726 H2 TIP3 3928 7.945 -6.416 8.042 1.00 0.00 WT2 H ATOM 30727 OH2 TIP3 3929 -4.986 -1.821 -1.197 1.00 0.00 WT2 O ATOM 30728 H1 TIP3 3929 -31.660 -2.631 -8.010 1.00 0.00 WT2 H ATOM 30729 H2 TIP3 3929 -17.645 -1.639 -2.684 1.00 0.00 WT2 H ATOM 30730 OH2 TIP3 3930 4.073 -4.855 -0.768 1.00 0.00 WT2 O ATOM 30731 H1 TIP3 3930 17.049 7.749 -8.550 1.00 0.00 WT2 H ATOM 30732 H2 TIP3 3930 0.452 -6.328 21.796 1.00 0.00 WT2 H ATOM 30733 OH2 TIP3 3931 -1.139 7.456 -2.076 1.00 0.00 WT2 O ATOM 30734 H1 TIP3 3931 8.374 -11.082 16.128 1.00 0.00 WT2 H ATOM 30735 H2 TIP3 3931 8.177 -2.527 2.571 1.00 0.00 WT2 H ATOM 30736 OH2 TIP3 3932 0.130 3.747 2.797 1.00 0.00 WT2 O ATOM 30737 H1 TIP3 3932 -12.492 19.701 9.201 1.00 0.00 WT2 H ATOM 30738 H2 TIP3 3932 18.552 -19.579 -2.704 1.00 0.00 WT2 H ATOM 30739 OH2 TIP3 3933 -4.170 -0.472 -1.954 1.00 0.00 WT2 O ATOM 30740 H1 TIP3 3933 -9.517 -8.495 3.581 1.00 0.00 WT2 H ATOM 30741 H2 TIP3 3933 6.919 -0.443 2.064 1.00 0.00 WT2 H ATOM 30742 OH2 TIP3 3934 3.355 0.967 -0.242 1.00 0.00 WT2 O ATOM 30743 H1 TIP3 3934 -0.696 25.001 -15.088 1.00 0.00 WT2 H ATOM 30744 H2 TIP3 3934 -9.330 -4.512 -1.181 1.00 0.00 WT2 H ATOM 30745 OH2 TIP3 3949 -2.378 2.748 -1.405 1.00 0.00 WT2 O ATOM 30746 H1 TIP3 3949 -4.552 -15.999 -4.699 1.00 0.00 WT2 H ATOM 30747 H2 TIP3 3949 -8.306 6.497 -0.036 1.00 0.00 WT2 H ATOM 30748 OH2 TIP3 3951 4.203 3.582 -3.326 1.00 0.00 WT2 O ATOM 30749 H1 TIP3 3951 4.275 18.368 -10.023 1.00 0.00 WT2 H ATOM 30750 H2 TIP3 3951 -6.935 9.384 3.646 1.00 0.00 WT2 H ATOM 30751 OH2 TIP3 3955 3.281 -0.864 3.878 1.00 0.00 WT2 O ATOM 30752 H1 TIP3 3955 -3.224 12.132 16.748 1.00 0.00 WT2 H ATOM 30753 H2 TIP3 3955 0.285 7.587 -12.557 1.00 0.00 WT2 H ATOM 30754 OH2 TIP3 3956 2.899 -7.786 -3.700 1.00 0.00 WT2 O ATOM 30755 H1 TIP3 3956 -2.824 -7.926 -10.901 1.00 0.00 WT2 H ATOM 30756 H2 TIP3 3956 26.946 3.355 -1.102 1.00 0.00 WT2 H ATOM 30757 OH2 TIP3 3971 -5.435 -2.600 -4.756 1.00 0.00 WT2 O ATOM 30758 H1 TIP3 3971 3.086 -4.941 10.622 1.00 0.00 WT2 H ATOM 30759 H2 TIP3 3971 -5.648 -0.121 3.062 1.00 0.00 WT2 H ATOM 30760 OH2 TIP3 3972 4.288 -2.491 4.555 1.00 0.00 WT2 O ATOM 30761 H1 TIP3 3972 -11.352 3.288 3.677 1.00 0.00 WT2 H ATOM 30762 H2 TIP3 3972 -12.084 2.915 3.683 1.00 0.00 WT2 H ATOM 30763 OH2 TIP3 3973 -0.395 -5.285 -4.115 1.00 0.00 WT2 O ATOM 30764 H1 TIP3 3973 -14.699 -17.688 -0.719 1.00 0.00 WT2 H ATOM 30765 H2 TIP3 3973 -2.531 15.837 -0.213 1.00 0.00 WT2 H ATOM 30766 OH2 TIP3 3974 2.406 -6.590 1.793 1.00 0.00 WT2 O ATOM 30767 H1 TIP3 3974 19.183 -7.881 19.651 1.00 0.00 WT2 H ATOM 30768 H2 TIP3 3974 1.093 -13.121 -8.649 1.00 0.00 WT2 H ATOM 30769 OH2 TIP3 3975 -0.826 2.492 6.668 1.00 0.00 WT2 O ATOM 30770 H1 TIP3 3975 -6.999 4.649 -0.498 1.00 0.00 WT2 H ATOM 30771 H2 TIP3 3975 -23.396 11.387 -11.843 1.00 0.00 WT2 H ATOM 30772 OH2 TIP3 3976 4.560 -2.368 0.347 1.00 0.00 WT2 O ATOM 30773 H1 TIP3 3976 -1.156 3.199 4.130 1.00 0.00 WT2 H ATOM 30774 H2 TIP3 3976 3.803 -4.115 -1.312 1.00 0.00 WT2 H ATOM 30775 OH2 TIP3 3977 4.435 -4.707 -9.120 1.00 0.00 WT2 O ATOM 30776 H1 TIP3 3977 22.099 -15.552 -13.358 1.00 0.00 WT2 H ATOM 30777 H2 TIP3 3977 27.855 -5.267 -15.807 1.00 0.00 WT2 H ATOM 30778 OH2 TIP3 3978 3.450 -3.019 4.404 1.00 0.00 WT2 O ATOM 30779 H1 TIP3 3978 27.942 7.484 4.019 1.00 0.00 WT2 H ATOM 30780 H2 TIP3 3978 -11.640 -2.417 -2.027 1.00 0.00 WT2 H ATOM 30781 OH2 TIP3 3986 -1.272 -0.279 -2.768 1.00 0.00 WT2 O ATOM 30782 H1 TIP3 3986 2.744 8.896 3.870 1.00 0.00 WT2 H ATOM 30783 H2 TIP3 3986 8.570 -7.348 -3.701 1.00 0.00 WT2 H ATOM 30784 OH2 TIP3 3991 -0.415 -1.199 5.062 1.00 0.00 WT2 O ATOM 30785 H1 TIP3 3991 -3.114 -1.829 -8.306 1.00 0.00 WT2 H ATOM 30786 H2 TIP3 3991 3.395 -0.082 15.307 1.00 0.00 WT2 H ATOM 30787 OH2 TIP3 3992 -0.418 -0.196 4.424 1.00 0.00 WT2 O ATOM 30788 H1 TIP3 3992 -2.159 5.763 3.603 1.00 0.00 WT2 H ATOM 30789 H2 TIP3 3992 3.086 -16.806 14.403 1.00 0.00 WT2 H ATOM 30790 OH2 TIP3 3993 -3.962 -2.616 -1.093 1.00 0.00 WT2 O ATOM 30791 H1 TIP3 3993 -3.593 -6.703 17.299 1.00 0.00 WT2 H ATOM 30792 H2 TIP3 3993 -23.420 0.415 -0.717 1.00 0.00 WT2 H ATOM 30793 OH2 TIP3 3994 -2.358 -1.463 1.391 1.00 0.00 WT2 O ATOM 30794 H1 TIP3 3994 4.326 17.557 8.097 1.00 0.00 WT2 H ATOM 30795 H2 TIP3 3994 -19.359 0.808 7.566 1.00 0.00 WT2 H ATOM 30796 OH2 TIP3 3995 -3.627 2.062 1.480 1.00 0.00 WT2 O ATOM 30797 H1 TIP3 3995 2.884 0.879 -5.919 1.00 0.00 WT2 H ATOM 30798 H2 TIP3 3995 -0.247 6.877 -5.831 1.00 0.00 WT2 H ATOM 30799 OH2 TIP3 3996 -0.793 7.459 -3.568 1.00 0.00 WT2 O ATOM 30800 H1 TIP3 3996 5.580 -18.066 -0.237 1.00 0.00 WT2 H ATOM 30801 H2 TIP3 3996 9.799 -14.946 -3.074 1.00 0.00 WT2 H ATOM 30802 OH2 TIP3 4009 -5.897 -6.665 1.122 1.00 0.00 WT2 O ATOM 30803 H1 TIP3 4009 -11.033 -0.207 -0.366 1.00 0.00 WT2 H ATOM 30804 H2 TIP3 4009 -2.414 -9.676 1.148 1.00 0.00 WT2 H ATOM 30805 OH2 TIP3 4010 -1.793 -4.708 -1.105 1.00 0.00 WT2 O ATOM 30806 H1 TIP3 4010 3.412 -19.262 2.723 1.00 0.00 WT2 H ATOM 30807 H2 TIP3 4010 1.709 1.165 -14.579 1.00 0.00 WT2 H ATOM 30808 OH2 TIP3 4011 -3.148 1.630 1.636 1.00 0.00 WT2 O ATOM 30809 H1 TIP3 4011 0.358 0.254 -6.445 1.00 0.00 WT2 H ATOM 30810 H2 TIP3 4011 -5.880 -0.537 -19.580 1.00 0.00 WT2 H ATOM 30811 OH2 TIP3 4012 3.090 0.097 -4.046 1.00 0.00 WT2 O ATOM 30812 H1 TIP3 4012 -5.580 -9.716 5.040 1.00 0.00 WT2 H ATOM 30813 H2 TIP3 4012 -1.773 5.798 5.992 1.00 0.00 WT2 H ATOM 30814 OH2 TIP3 4014 1.607 -0.683 0.242 1.00 0.00 WT2 O ATOM 30815 H1 TIP3 4014 3.915 -9.249 2.899 1.00 0.00 WT2 H ATOM 30816 H2 TIP3 4014 -10.242 20.433 -13.697 1.00 0.00 WT2 H ATOM 30817 OH2 TIP3 4015 3.661 2.274 4.054 1.00 0.00 WT2 O ATOM 30818 H1 TIP3 4015 20.409 9.882 -10.302 1.00 0.00 WT2 H ATOM 30819 H2 TIP3 4015 -12.019 -5.277 17.698 1.00 0.00 WT2 H ATOM 30820 OH2 TIP3 4016 -0.733 2.924 0.405 1.00 0.00 WT2 O ATOM 30821 H1 TIP3 4016 -3.753 1.240 7.435 1.00 0.00 WT2 H ATOM 30822 H2 TIP3 4016 -4.794 -0.572 -3.926 1.00 0.00 WT2 H ATOM 30823 OH2 TIP3 4017 4.398 0.711 4.368 1.00 0.00 WT2 O ATOM 30824 H1 TIP3 4017 6.219 0.357 2.939 1.00 0.00 WT2 H ATOM 30825 H2 TIP3 4017 8.930 17.514 -7.358 1.00 0.00 WT2 H ATOM 30826 OH2 TIP3 4021 3.791 -1.974 4.769 1.00 0.00 WT2 O ATOM 30827 H1 TIP3 4021 -1.976 22.922 21.051 1.00 0.00 WT2 H ATOM 30828 H2 TIP3 4021 5.047 2.752 11.131 1.00 0.00 WT2 H ATOM 30829 OH2 TIP3 4022 2.545 1.527 -2.247 1.00 0.00 WT2 O ATOM 30830 H1 TIP3 4022 -10.169 -6.477 5.613 1.00 0.00 WT2 H ATOM 30831 H2 TIP3 4022 12.523 5.726 9.289 1.00 0.00 WT2 H ATOM 30832 OH2 TIP3 4030 0.728 5.115 -5.472 1.00 0.00 WT2 O ATOM 30833 H1 TIP3 4030 6.825 0.476 -1.811 1.00 0.00 WT2 H ATOM 30834 H2 TIP3 4030 3.929 -4.120 1.484 1.00 0.00 WT2 H ATOM 30835 OH2 TIP3 4033 5.994 -1.671 -3.153 1.00 0.00 WT2 O ATOM 30836 H1 TIP3 4033 22.210 22.651 -30.325 1.00 0.00 WT2 H ATOM 30837 H2 TIP3 4033 4.209 -23.599 19.986 1.00 0.00 WT2 H ATOM 30838 OH2 TIP3 4035 -6.712 2.950 -1.340 1.00 0.00 WT2 O ATOM 30839 H1 TIP3 4035 -14.726 11.225 -1.514 1.00 0.00 WT2 H ATOM 30840 H2 TIP3 4035 -6.305 10.417 1.847 1.00 0.00 WT2 H ATOM 30841 OH2 TIP3 4036 6.149 3.152 3.782 1.00 0.00 WT2 O ATOM 30842 H1 TIP3 4036 -11.830 22.491 -18.837 1.00 0.00 WT2 H ATOM 30843 H2 TIP3 4036 20.249 7.929 1.624 1.00 0.00 WT2 H ATOM 30844 OH2 TIP3 4037 -3.891 4.720 2.534 1.00 0.00 WT2 O ATOM 30845 H1 TIP3 4037 -5.765 18.108 12.143 1.00 0.00 WT2 H ATOM 30846 H2 TIP3 4037 9.288 -8.843 -2.556 1.00 0.00 WT2 H ATOM 30847 OH2 TIP3 4040 -3.591 7.516 6.747 1.00 0.00 WT2 O ATOM 30848 H1 TIP3 4040 9.700 9.514 6.192 1.00 0.00 WT2 H ATOM 30849 H2 TIP3 4040 -21.279 -0.607 8.815 1.00 0.00 WT2 H ATOM 30850 OH2 TIP3 4053 3.104 0.506 -1.793 1.00 0.00 WT2 O ATOM 30851 H1 TIP3 4053 8.071 -6.930 -0.157 1.00 0.00 WT2 H ATOM 30852 H2 TIP3 4053 -1.737 -5.154 -13.605 1.00 0.00 WT2 H ATOM 30853 OH2 TIP3 4054 -0.138 -0.317 1.720 1.00 0.00 WT2 O ATOM 30854 H1 TIP3 4054 -20.038 7.965 -17.628 1.00 0.00 WT2 H ATOM 30855 H2 TIP3 4054 3.350 8.825 -0.341 1.00 0.00 WT2 H ATOM 30856 OH2 TIP3 4055 0.645 -1.822 -3.460 1.00 0.00 WT2 O ATOM 30857 H1 TIP3 4055 5.251 -3.797 -5.537 1.00 0.00 WT2 H ATOM 30858 H2 TIP3 4055 2.312 -2.528 -4.565 1.00 0.00 WT2 H ATOM 30859 OH2 TIP3 4056 2.010 -4.256 -4.961 1.00 0.00 WT2 O ATOM 30860 H1 TIP3 4056 -1.554 -9.823 1.228 1.00 0.00 WT2 H ATOM 30861 H2 TIP3 4056 9.135 -7.680 -6.948 1.00 0.00 WT2 H ATOM 30862 OH2 TIP3 4057 -7.098 -2.136 -0.467 1.00 0.00 WT2 O ATOM 30863 H1 TIP3 4057 -5.463 -5.839 7.439 1.00 0.00 WT2 H ATOM 30864 H2 TIP3 4057 0.307 -14.860 3.669 1.00 0.00 WT2 H ATOM 30865 OH2 TIP3 4058 -4.740 0.598 1.057 1.00 0.00 WT2 O ATOM 30866 H1 TIP3 4058 -11.229 -15.378 -10.196 1.00 0.00 WT2 H ATOM 30867 H2 TIP3 4058 -3.717 -1.638 0.171 1.00 0.00 WT2 H ATOM 30868 OH2 TIP3 4059 -1.973 5.027 -2.840 1.00 0.00 WT2 O ATOM 30869 H1 TIP3 4059 20.243 30.094 -1.153 1.00 0.00 WT2 H ATOM 30870 H2 TIP3 4059 20.516 -23.954 1.561 1.00 0.00 WT2 H ATOM 30871 OH2 TIP3 4060 11.342 -8.238 2.589 1.00 0.00 WT2 O ATOM 30872 H1 TIP3 4060 -9.213 -9.393 19.782 1.00 0.00 WT2 H ATOM 30873 H2 TIP3 4060 8.620 9.900 -12.006 1.00 0.00 WT2 H ATOM 30874 OH2 TIP3 4064 3.328 -3.187 0.901 1.00 0.00 WT2 O ATOM 30875 H1 TIP3 4064 1.899 2.822 -21.954 1.00 0.00 WT2 H ATOM 30876 H2 TIP3 4064 -7.450 -20.722 12.051 1.00 0.00 WT2 H ATOM 30877 OH2 TIP3 4072 4.192 3.479 -0.335 1.00 0.00 WT2 O ATOM 30878 H1 TIP3 4072 4.219 -0.231 -11.392 1.00 0.00 WT2 H ATOM 30879 H2 TIP3 4072 -3.811 16.137 -5.281 1.00 0.00 WT2 H ATOM 30880 OH2 TIP3 4074 3.634 -4.909 0.964 1.00 0.00 WT2 O ATOM 30881 H1 TIP3 4074 15.697 -5.771 -13.537 1.00 0.00 WT2 H ATOM 30882 H2 TIP3 4074 -23.821 -7.266 -9.280 1.00 0.00 WT2 H ATOM 30883 OH2 TIP3 4076 -6.330 0.756 3.493 1.00 0.00 WT2 O ATOM 30884 H1 TIP3 4076 3.450 4.631 5.476 1.00 0.00 WT2 H ATOM 30885 H2 TIP3 4076 -13.089 3.091 3.221 1.00 0.00 WT2 H ATOM 30886 OH2 TIP3 4077 -1.776 -0.785 10.087 1.00 0.00 WT2 O ATOM 30887 H1 TIP3 4077 -3.423 13.879 -7.767 1.00 0.00 WT2 H ATOM 30888 H2 TIP3 4077 5.465 2.626 1.586 1.00 0.00 WT2 H ATOM 30889 OH2 TIP3 4078 -5.303 -4.468 1.252 1.00 0.00 WT2 O ATOM 30890 H1 TIP3 4078 17.493 -1.365 7.850 1.00 0.00 WT2 H ATOM 30891 H2 TIP3 4078 21.499 -2.662 18.006 1.00 0.00 WT2 H ATOM 30892 OH2 TIP3 4083 -4.586 -1.808 -3.310 1.00 0.00 WT2 O ATOM 30893 H1 TIP3 4083 -5.283 -3.570 -22.425 1.00 0.00 WT2 H ATOM 30894 H2 TIP3 4083 -3.014 -0.905 7.926 1.00 0.00 WT2 H ATOM 30895 OH2 TIP3 4093 0.203 1.553 -0.917 1.00 0.00 WT2 O ATOM 30896 H1 TIP3 4093 14.731 -16.508 0.115 1.00 0.00 WT2 H ATOM 30897 H2 TIP3 4093 12.702 5.370 -20.765 1.00 0.00 WT2 H ATOM 30898 OH2 TIP3 4097 -2.643 4.071 -5.574 1.00 0.00 WT2 O ATOM 30899 H1 TIP3 4097 -2.058 2.856 -6.784 1.00 0.00 WT2 H ATOM 30900 H2 TIP3 4097 -19.988 0.997 21.853 1.00 0.00 WT2 H ATOM 30901 OH2 TIP3 4098 2.224 7.177 7.843 1.00 0.00 WT2 O ATOM 30902 H1 TIP3 4098 6.313 -4.806 3.631 1.00 0.00 WT2 H ATOM 30903 H2 TIP3 4098 27.974 -2.145 1.220 1.00 0.00 WT2 H ATOM 30904 OH2 TIP3 4099 -2.368 -9.925 -2.220 1.00 0.00 WT2 O ATOM 30905 H1 TIP3 4099 9.824 -4.264 11.182 1.00 0.00 WT2 H ATOM 30906 H2 TIP3 4099 -3.386 -24.540 -14.539 1.00 0.00 WT2 H ATOM 30907 OH2 TIP3 4100 1.373 2.683 -1.577 1.00 0.00 WT2 O ATOM 30908 H1 TIP3 4100 -24.138 -2.445 -18.763 1.00 0.00 WT2 H ATOM 30909 H2 TIP3 4100 23.454 1.642 -3.702 1.00 0.00 WT2 H ATOM 30910 OH2 TIP3 4101 2.288 2.122 1.986 1.00 0.00 WT2 O ATOM 30911 H1 TIP3 4101 -25.840 -5.622 -6.335 1.00 0.00 WT2 H ATOM 30912 H2 TIP3 4101 4.363 15.071 -3.589 1.00 0.00 WT2 H ATOM 30913 OH2 TIP3 4104 -4.012 0.104 -6.988 1.00 0.00 WT2 O ATOM 30914 H1 TIP3 4104 4.816 3.856 17.950 1.00 0.00 WT2 H ATOM 30915 H2 TIP3 4104 -6.081 -2.904 3.107 1.00 0.00 WT2 H ATOM 30916 OH2 TIP3 4116 -2.294 5.718 0.913 1.00 0.00 WT2 O ATOM 30917 H1 TIP3 4116 2.470 1.454 -8.306 1.00 0.00 WT2 H ATOM 30918 H2 TIP3 4116 4.236 -9.033 3.544 1.00 0.00 WT2 H ATOM 30919 OH2 TIP3 4119 6.579 -2.340 -5.492 1.00 0.00 WT2 O ATOM 30920 H1 TIP3 4119 1.047 1.324 -22.517 1.00 0.00 WT2 H ATOM 30921 H2 TIP3 4119 -4.208 10.213 -22.759 1.00 0.00 WT2 H ATOM 30922 OH2 TIP3 4120 -3.481 -5.150 4.057 1.00 0.00 WT2 O ATOM 30923 H1 TIP3 4120 4.448 21.197 -14.543 1.00 0.00 WT2 H ATOM 30924 H2 TIP3 4120 15.512 -10.652 -0.349 1.00 0.00 WT2 H ATOM 30925 OH2 TIP3 4121 6.720 2.758 -1.607 1.00 0.00 WT2 O ATOM 30926 H1 TIP3 4121 2.832 4.022 0.396 1.00 0.00 WT2 H ATOM 30927 H2 TIP3 4121 12.149 -7.799 -0.704 1.00 0.00 WT2 H ATOM 30928 OH2 TIP3 4123 0.967 -2.226 -5.716 1.00 0.00 WT2 O ATOM 30929 H1 TIP3 4123 -14.156 -17.619 -9.636 1.00 0.00 WT2 H ATOM 30930 H2 TIP3 4123 -1.771 6.369 -11.345 1.00 0.00 WT2 H ATOM 30931 OH2 TIP3 4138 6.912 -3.816 7.060 1.00 0.00 WT2 O ATOM 30932 H1 TIP3 4138 7.965 16.005 -2.221 1.00 0.00 WT2 H ATOM 30933 H2 TIP3 4138 -1.891 4.811 -6.194 1.00 0.00 WT2 H ATOM 30934 OH2 TIP3 4139 5.765 1.810 3.856 1.00 0.00 WT2 O ATOM 30935 H1 TIP3 4139 -1.890 -7.982 14.753 1.00 0.00 WT2 H ATOM 30936 H2 TIP3 4139 -2.359 -6.884 11.661 1.00 0.00 WT2 H ATOM 30937 OH2 TIP3 4140 2.800 3.497 4.370 1.00 0.00 WT2 O ATOM 30938 H1 TIP3 4140 -24.865 -5.833 3.102 1.00 0.00 WT2 H ATOM 30939 H2 TIP3 4140 0.592 24.137 -11.042 1.00 0.00 WT2 H ATOM 30940 OH2 TIP3 4141 0.797 -2.353 2.101 1.00 0.00 WT2 O ATOM 30941 H1 TIP3 4141 -5.591 -1.214 -10.612 1.00 0.00 WT2 H ATOM 30942 H2 TIP3 4141 2.096 -1.020 -0.914 1.00 0.00 WT2 H ATOM 30943 OH2 TIP3 4142 2.217 -0.655 6.774 1.00 0.00 WT2 O ATOM 30944 H1 TIP3 4142 10.747 -13.570 -10.895 1.00 0.00 WT2 H ATOM 30945 H2 TIP3 4142 -10.284 -9.563 10.665 1.00 0.00 WT2 H ATOM 30946 OH2 TIP3 4143 5.342 4.451 -2.717 1.00 0.00 WT2 O ATOM 30947 H1 TIP3 4143 -1.314 0.240 -4.493 1.00 0.00 WT2 H ATOM 30948 H2 TIP3 4143 -24.660 -2.423 -16.020 1.00 0.00 WT2 H ATOM 30949 OH2 TIP3 4157 6.459 1.181 3.204 1.00 0.00 WT2 O ATOM 30950 H1 TIP3 4157 20.256 16.268 10.485 1.00 0.00 WT2 H ATOM 30951 H2 TIP3 4157 -13.697 10.847 3.963 1.00 0.00 WT2 H ATOM 30952 OH2 TIP3 4158 3.764 0.198 1.949 1.00 0.00 WT2 O ATOM 30953 H1 TIP3 4158 1.161 12.602 2.515 1.00 0.00 WT2 H ATOM 30954 H2 TIP3 4158 -0.907 3.040 12.800 1.00 0.00 WT2 H ATOM 30955 OH2 TIP3 4159 -0.955 2.891 1.745 1.00 0.00 WT2 O ATOM 30956 H1 TIP3 4159 -23.557 9.179 -7.214 1.00 0.00 WT2 H ATOM 30957 H2 TIP3 4159 -8.688 -8.253 16.418 1.00 0.00 WT2 H ATOM 30958 OH2 TIP3 4161 0.995 -2.398 -6.775 1.00 0.00 WT2 O ATOM 30959 H1 TIP3 4161 2.260 -0.992 -15.799 1.00 0.00 WT2 H ATOM 30960 H2 TIP3 4161 -0.264 -1.614 -23.449 1.00 0.00 WT2 H ATOM 30961 OH2 TIP3 4165 2.257 1.542 0.034 1.00 0.00 WT2 O ATOM 30962 H1 TIP3 4165 -12.227 4.728 -8.118 1.00 0.00 WT2 H ATOM 30963 H2 TIP3 4165 7.315 1.812 0.024 1.00 0.00 WT2 H ATOM 30964 OH2 TIP3 4179 1.135 -4.204 1.076 1.00 0.00 WT2 O ATOM 30965 H1 TIP3 4179 -26.563 21.768 7.982 1.00 0.00 WT2 H ATOM 30966 H2 TIP3 4179 -19.913 -10.922 -26.117 1.00 0.00 WT2 H ATOM 30967 OH2 TIP3 4181 4.166 -5.975 5.134 1.00 0.00 WT2 O ATOM 30968 H1 TIP3 4181 -9.034 -26.583 1.081 1.00 0.00 WT2 H ATOM 30969 H2 TIP3 4181 -10.756 14.016 -4.704 1.00 0.00 WT2 H ATOM 30970 OH2 TIP3 4182 -2.595 -0.143 -2.209 1.00 0.00 WT2 O ATOM 30971 H1 TIP3 4182 0.697 2.493 -18.360 1.00 0.00 WT2 H ATOM 30972 H2 TIP3 4182 -2.604 14.545 1.837 1.00 0.00 WT2 H ATOM 30973 OH2 TIP3 4183 -8.298 -2.188 1.242 1.00 0.00 WT2 O ATOM 30974 H1 TIP3 4183 -5.067 -4.506 -19.088 1.00 0.00 WT2 H ATOM 30975 H2 TIP3 4183 8.997 7.510 7.698 1.00 0.00 WT2 H ATOM 30976 OH2 TIP3 4184 -0.970 3.759 0.080 1.00 0.00 WT2 O ATOM 30977 H1 TIP3 4184 14.573 -11.770 14.645 1.00 0.00 WT2 H ATOM 30978 H2 TIP3 4184 -13.445 15.360 -12.562 1.00 0.00 WT2 H ATOM 30979 OH2 TIP3 4186 3.040 0.478 5.161 1.00 0.00 WT2 O ATOM 30980 H1 TIP3 4186 -6.063 5.949 -1.623 1.00 0.00 WT2 H ATOM 30981 H2 TIP3 4186 8.091 3.786 -0.134 1.00 0.00 WT2 H ATOM 30982 OH2 TIP3 4187 2.853 2.336 -9.297 1.00 0.00 WT2 O ATOM 30983 H1 TIP3 4187 1.666 0.647 -9.133 1.00 0.00 WT2 H ATOM 30984 H2 TIP3 4187 0.559 4.301 -7.923 1.00 0.00 WT2 H ATOM 30985 OH2 TIP3 4198 -0.507 2.968 3.960 1.00 0.00 WT2 O ATOM 30986 H1 TIP3 4198 -18.665 5.781 -9.137 1.00 0.00 WT2 H ATOM 30987 H2 TIP3 4198 2.165 2.537 -11.421 1.00 0.00 WT2 H ATOM 30988 OH2 TIP3 4200 1.189 -0.567 4.237 1.00 0.00 WT2 O ATOM 30989 H1 TIP3 4200 2.723 -12.799 11.125 1.00 0.00 WT2 H ATOM 30990 H2 TIP3 4200 -0.007 9.495 -2.058 1.00 0.00 WT2 H ATOM 30991 OH2 TIP3 4201 0.241 -2.942 1.448 1.00 0.00 WT2 O ATOM 30992 H1 TIP3 4201 0.579 7.504 -2.266 1.00 0.00 WT2 H ATOM 30993 H2 TIP3 4201 1.044 7.543 -1.069 1.00 0.00 WT2 H ATOM 30994 OH2 TIP3 4202 1.348 -2.900 -8.525 1.00 0.00 WT2 O ATOM 30995 H1 TIP3 4202 9.482 9.443 16.606 1.00 0.00 WT2 H ATOM 30996 H2 TIP3 4202 -11.700 2.087 -15.046 1.00 0.00 WT2 H ATOM 30997 OH2 TIP3 4205 1.740 -2.856 0.925 1.00 0.00 WT2 O ATOM 30998 H1 TIP3 4205 24.544 -13.409 0.802 1.00 0.00 WT2 H ATOM 30999 H2 TIP3 4205 1.568 8.280 6.347 1.00 0.00 WT2 H ATOM 31000 OH2 TIP3 4206 -0.129 -2.705 -0.349 1.00 0.00 WT2 O ATOM 31001 H1 TIP3 4206 2.051 -0.699 2.952 1.00 0.00 WT2 H ATOM 31002 H2 TIP3 4206 -7.829 -4.336 3.846 1.00 0.00 WT2 H ATOM 31003 OH2 TIP3 4207 2.288 -3.708 -7.215 1.00 0.00 WT2 O ATOM 31004 H1 TIP3 4207 14.393 9.647 2.425 1.00 0.00 WT2 H ATOM 31005 H2 TIP3 4207 4.097 -0.559 14.923 1.00 0.00 WT2 H ATOM 31006 OH2 TIP3 4218 -3.642 -2.678 0.297 1.00 0.00 WT2 O ATOM 31007 H1 TIP3 4218 -1.634 6.611 10.942 1.00 0.00 WT2 H ATOM 31008 H2 TIP3 4218 9.415 13.434 11.559 1.00 0.00 WT2 H ATOM 31009 OH2 TIP3 4219 -0.946 5.421 -3.817 1.00 0.00 WT2 O ATOM 31010 H1 TIP3 4219 12.279 2.662 -25.690 1.00 0.00 WT2 H ATOM 31011 H2 TIP3 4219 9.671 2.467 -2.785 1.00 0.00 WT2 H ATOM 31012 OH2 TIP3 4224 -4.459 0.513 -3.453 1.00 0.00 WT2 O ATOM 31013 H1 TIP3 4224 -18.516 1.509 13.026 1.00 0.00 WT2 H ATOM 31014 H2 TIP3 4224 -4.661 7.729 14.038 1.00 0.00 WT2 H ATOM 31015 OH2 TIP3 4225 5.017 9.381 -1.185 1.00 0.00 WT2 O ATOM 31016 H1 TIP3 4225 1.332 1.638 -8.371 1.00 0.00 WT2 H ATOM 31017 H2 TIP3 4225 -0.089 8.494 7.149 1.00 0.00 WT2 H ATOM 31018 OH2 TIP3 4226 -2.139 -3.001 -4.442 1.00 0.00 WT2 O ATOM 31019 H1 TIP3 4226 4.696 12.333 -6.520 1.00 0.00 WT2 H ATOM 31020 H2 TIP3 4226 -2.867 -13.412 -3.633 1.00 0.00 WT2 H ATOM 31021 OH2 TIP3 4227 1.236 1.105 0.449 1.00 0.00 WT2 O ATOM 31022 H1 TIP3 4227 -4.805 9.456 -5.504 1.00 0.00 WT2 H ATOM 31023 H2 TIP3 4227 4.915 -20.833 -0.419 1.00 0.00 WT2 H ATOM 31024 OH2 TIP3 4229 -5.798 -7.948 -6.480 1.00 0.00 WT2 O ATOM 31025 H1 TIP3 4229 1.675 -15.913 -8.523 1.00 0.00 WT2 H ATOM 31026 H2 TIP3 4229 -14.750 4.213 -0.508 1.00 0.00 WT2 H ATOM 31027 OH2 TIP3 4243 1.862 -3.136 -11.045 1.00 0.00 WT2 O ATOM 31028 H1 TIP3 4243 16.784 -5.785 -0.773 1.00 0.00 WT2 H ATOM 31029 H2 TIP3 4243 -8.513 16.535 -22.782 1.00 0.00 WT2 H ATOM 31030 OH2 TIP3 4245 -3.991 5.159 5.244 1.00 0.00 WT2 O ATOM 31031 H1 TIP3 4245 5.945 22.788 -5.759 1.00 0.00 WT2 H ATOM 31032 H2 TIP3 4245 8.490 10.305 18.771 1.00 0.00 WT2 H ATOM 31033 OH2 TIP3 4246 -4.856 -3.727 3.518 1.00 0.00 WT2 O ATOM 31034 H1 TIP3 4246 -1.070 1.065 6.419 1.00 0.00 WT2 H ATOM 31035 H2 TIP3 4246 2.798 0.773 13.338 1.00 0.00 WT2 H ATOM 31036 OH2 TIP3 4247 -2.870 -4.411 11.115 1.00 0.00 WT2 O ATOM 31037 H1 TIP3 4247 9.350 -16.264 -18.464 1.00 0.00 WT2 H ATOM 31038 H2 TIP3 4247 25.047 5.434 1.438 1.00 0.00 WT2 H ATOM 31039 OH2 TIP3 4248 4.084 2.710 -2.761 1.00 0.00 WT2 O ATOM 31040 H1 TIP3 4248 -10.895 -1.517 7.872 1.00 0.00 WT2 H ATOM 31041 H2 TIP3 4248 -12.937 -8.910 -16.335 1.00 0.00 WT2 H ATOM 31042 OH2 TIP3 4251 4.936 -1.029 -4.460 1.00 0.00 WT2 O ATOM 31043 H1 TIP3 4251 -11.735 -13.476 8.669 1.00 0.00 WT2 H ATOM 31044 H2 TIP3 4251 0.403 2.320 -14.958 1.00 0.00 WT2 H ATOM 31045 OH2 TIP3 4262 3.260 -1.906 0.170 1.00 0.00 WT2 O ATOM 31046 H1 TIP3 4262 6.750 6.556 -6.902 1.00 0.00 WT2 H ATOM 31047 H2 TIP3 4262 -5.681 -2.729 0.817 1.00 0.00 WT2 H ATOM 31048 OH2 TIP3 4264 8.156 -1.371 0.290 1.00 0.00 WT2 O ATOM 31049 H1 TIP3 4264 -6.748 2.331 0.766 1.00 0.00 WT2 H ATOM 31050 H2 TIP3 4264 13.299 -4.406 1.895 1.00 0.00 WT2 H ATOM 31051 OH2 TIP3 4266 7.505 0.280 0.383 1.00 0.00 WT2 O ATOM 31052 H1 TIP3 4266 18.811 -6.120 -4.162 1.00 0.00 WT2 H ATOM 31053 H2 TIP3 4266 -20.285 -16.609 -2.614 1.00 0.00 WT2 H ATOM 31054 OH2 TIP3 4267 -0.842 2.636 -3.607 1.00 0.00 WT2 O ATOM 31055 H1 TIP3 4267 -7.483 10.410 4.809 1.00 0.00 WT2 H ATOM 31056 H2 TIP3 4267 23.199 -1.511 3.632 1.00 0.00 WT2 H ATOM 31057 OH2 TIP3 4268 0.035 0.228 -0.367 1.00 0.00 WT2 O ATOM 31058 H1 TIP3 4268 18.280 -16.210 23.887 1.00 0.00 WT2 H ATOM 31059 H2 TIP3 4268 20.692 -25.166 -1.068 1.00 0.00 WT2 H ATOM 31060 OH2 TIP3 4269 0.555 -1.870 3.195 1.00 0.00 WT2 O ATOM 31061 H1 TIP3 4269 -4.606 13.725 8.328 1.00 0.00 WT2 H ATOM 31062 H2 TIP3 4269 15.438 3.574 1.215 1.00 0.00 WT2 H ATOM 31063 OH2 TIP3 4282 2.479 2.057 5.223 1.00 0.00 WT2 O ATOM 31064 H1 TIP3 4282 9.239 -15.553 16.848 1.00 0.00 WT2 H ATOM 31065 H2 TIP3 4282 6.581 -8.280 12.762 1.00 0.00 WT2 H ATOM 31066 OH2 TIP3 4283 1.742 -1.150 7.467 1.00 0.00 WT2 O ATOM 31067 H1 TIP3 4283 -6.374 -12.516 6.398 1.00 0.00 WT2 H ATOM 31068 H2 TIP3 4283 2.388 2.104 -3.078 1.00 0.00 WT2 H ATOM 31069 OH2 TIP3 4287 1.548 2.884 -2.744 1.00 0.00 WT2 O ATOM 31070 H1 TIP3 4287 0.357 2.507 -2.433 1.00 0.00 WT2 H ATOM 31071 H2 TIP3 4287 -6.086 -2.794 -1.440 1.00 0.00 WT2 H ATOM 31072 OH2 TIP3 4288 1.203 2.474 6.246 1.00 0.00 WT2 O ATOM 31073 H1 TIP3 4288 -19.344 -17.055 20.083 1.00 0.00 WT2 H ATOM 31074 H2 TIP3 4288 -10.030 -16.976 15.262 1.00 0.00 WT2 H ATOM 31075 OH2 TIP3 4289 1.102 -1.957 -6.022 1.00 0.00 WT2 O ATOM 31076 H1 TIP3 4289 -4.574 -25.133 7.343 1.00 0.00 WT2 H ATOM 31077 H2 TIP3 4289 -0.017 -0.979 -15.173 1.00 0.00 WT2 H ATOM 31078 OH2 TIP3 4290 2.415 3.598 4.088 1.00 0.00 WT2 O ATOM 31079 H1 TIP3 4290 7.446 22.776 4.079 1.00 0.00 WT2 H ATOM 31080 H2 TIP3 4290 -15.715 -5.790 10.075 1.00 0.00 WT2 H ATOM 31081 OH2 TIP3 4293 -5.854 -1.508 -1.980 1.00 0.00 WT2 O ATOM 31082 H1 TIP3 4293 0.103 8.730 19.067 1.00 0.00 WT2 H ATOM 31083 H2 TIP3 4293 -17.584 1.142 13.805 1.00 0.00 WT2 H ATOM 31084 OH2 TIP3 4297 -3.508 -0.377 -4.096 1.00 0.00 WT2 O ATOM 31085 H1 TIP3 4297 7.299 5.015 -4.150 1.00 0.00 WT2 H ATOM 31086 H2 TIP3 4297 -2.919 -7.276 4.371 1.00 0.00 WT2 H ATOM 31087 OH2 TIP3 4304 0.725 -3.622 7.853 1.00 0.00 WT2 O ATOM 31088 H1 TIP3 4304 3.777 18.487 31.561 1.00 0.00 WT2 H ATOM 31089 H2 TIP3 4304 5.898 -25.633 22.526 1.00 0.00 WT2 H ATOM 31090 OH2 TIP3 4306 0.295 0.213 -7.942 1.00 0.00 WT2 O ATOM 31091 H1 TIP3 4306 9.054 22.085 11.962 1.00 0.00 WT2 H ATOM 31092 H2 TIP3 4306 11.519 11.766 -34.411 1.00 0.00 WT2 H ATOM 31093 OH2 TIP3 4307 0.582 0.022 -3.293 1.00 0.00 WT2 O ATOM 31094 H1 TIP3 4307 -5.688 -0.290 -11.686 1.00 0.00 WT2 H ATOM 31095 H2 TIP3 4307 6.040 -11.262 -6.219 1.00 0.00 WT2 H ATOM 31096 OH2 TIP3 4311 -0.984 -2.131 -4.655 1.00 0.00 WT2 O ATOM 31097 H1 TIP3 4311 -3.066 -1.256 -32.590 1.00 0.00 WT2 H ATOM 31098 H2 TIP3 4311 22.026 12.598 1.942 1.00 0.00 WT2 H ATOM 31099 OH2 TIP3 4313 -1.504 -0.757 -2.636 1.00 0.00 WT2 O ATOM 31100 H1 TIP3 4313 -21.641 7.349 -7.027 1.00 0.00 WT2 H ATOM 31101 H2 TIP3 4313 -2.180 -7.567 19.218 1.00 0.00 WT2 H ATOM 31102 OH2 TIP3 4321 -1.541 0.447 -3.522 1.00 0.00 WT2 O ATOM 31103 H1 TIP3 4321 -6.638 0.047 -0.891 1.00 0.00 WT2 H ATOM 31104 H2 TIP3 4321 -32.262 20.410 1.207 1.00 0.00 WT2 H ATOM 31105 OH2 TIP3 4328 3.683 4.087 -1.534 1.00 0.00 WT2 O ATOM 31106 H1 TIP3 4328 18.666 24.875 14.045 1.00 0.00 WT2 H ATOM 31107 H2 TIP3 4328 2.879 -6.616 -6.046 1.00 0.00 WT2 H ATOM 31108 OH2 TIP3 4329 2.105 3.626 1.086 1.00 0.00 WT2 O ATOM 31109 H1 TIP3 4329 34.814 -13.972 -0.849 1.00 0.00 WT2 H ATOM 31110 H2 TIP3 4329 -10.020 18.414 -1.626 1.00 0.00 WT2 H ATOM 31111 OH2 TIP3 4330 0.143 -3.444 -2.607 1.00 0.00 WT2 O ATOM 31112 H1 TIP3 4330 -0.915 7.113 0.462 1.00 0.00 WT2 H ATOM 31113 H2 TIP3 4330 13.084 -19.856 30.117 1.00 0.00 WT2 H ATOM 31114 OH2 TIP3 4332 3.942 -0.638 2.238 1.00 0.00 WT2 O ATOM 31115 H1 TIP3 4332 0.606 17.197 -1.795 1.00 0.00 WT2 H ATOM 31116 H2 TIP3 4332 16.528 1.135 0.823 1.00 0.00 WT2 H ATOM 31117 OH2 TIP3 4337 2.458 4.489 1.995 1.00 0.00 WT2 O ATOM 31118 H1 TIP3 4337 -9.329 20.134 6.159 1.00 0.00 WT2 H ATOM 31119 H2 TIP3 4337 17.117 -20.967 -3.547 1.00 0.00 WT2 H ATOM 31120 OH2 TIP3 4349 7.515 -1.033 -1.287 1.00 0.00 WT2 O ATOM 31121 H1 TIP3 4349 11.035 -4.099 -26.878 1.00 0.00 WT2 H ATOM 31122 H2 TIP3 4349 10.204 -4.208 -7.829 1.00 0.00 WT2 H ATOM 31123 OH2 TIP3 4350 4.580 -1.940 3.978 1.00 0.00 WT2 O ATOM 31124 H1 TIP3 4350 10.896 -9.044 -3.261 1.00 0.00 WT2 H ATOM 31125 H2 TIP3 4350 5.485 -4.311 8.910 1.00 0.00 WT2 H ATOM 31126 OH2 TIP3 4351 2.405 -6.578 1.570 1.00 0.00 WT2 O ATOM 31127 H1 TIP3 4351 19.772 -0.444 3.529 1.00 0.00 WT2 H ATOM 31128 H2 TIP3 4351 -3.189 -7.264 6.082 1.00 0.00 WT2 H ATOM 31129 OH2 TIP3 4352 2.086 4.666 -0.457 1.00 0.00 WT2 O ATOM 31130 H1 TIP3 4352 11.595 14.356 -7.844 1.00 0.00 WT2 H ATOM 31131 H2 TIP3 4352 -0.386 7.490 -2.313 1.00 0.00 WT2 H ATOM 31132 OH2 TIP3 4353 2.908 0.080 -3.803 1.00 0.00 WT2 O ATOM 31133 H1 TIP3 4353 2.765 -21.377 -25.397 1.00 0.00 WT2 H ATOM 31134 H2 TIP3 4353 0.305 3.028 -7.116 1.00 0.00 WT2 H ATOM 31135 OH2 TIP3 4356 3.073 -0.989 -5.078 1.00 0.00 WT2 O ATOM 31136 H1 TIP3 4356 2.047 1.599 4.224 1.00 0.00 WT2 H ATOM 31137 H2 TIP3 4356 -4.188 -6.751 -9.662 1.00 0.00 WT2 H ATOM 31138 OH2 TIP3 4357 2.348 1.535 -0.566 1.00 0.00 WT2 O ATOM 31139 H1 TIP3 4357 -7.799 12.302 6.462 1.00 0.00 WT2 H ATOM 31140 H2 TIP3 4357 3.734 7.011 -0.642 1.00 0.00 WT2 H ATOM 31141 OH2 TIP3 4363 -2.275 -6.505 -3.951 1.00 0.00 WT2 O ATOM 31142 H1 TIP3 4363 10.040 1.786 3.973 1.00 0.00 WT2 H ATOM 31143 H2 TIP3 4363 -8.144 -19.362 7.475 1.00 0.00 WT2 H ATOM 31144 OH2 TIP3 4373 7.585 3.501 -6.277 1.00 0.00 WT2 O ATOM 31145 H1 TIP3 4373 7.156 10.835 24.193 1.00 0.00 WT2 H ATOM 31146 H2 TIP3 4373 -1.405 -20.630 -9.898 1.00 0.00 WT2 H ATOM 31147 OH2 TIP3 4374 6.022 -1.638 8.684 1.00 0.00 WT2 O ATOM 31148 H1 TIP3 4374 -6.538 -0.855 5.197 1.00 0.00 WT2 H ATOM 31149 H2 TIP3 4374 -40.170 -8.097 -6.507 1.00 0.00 WT2 H ATOM 31150 OH2 TIP3 4387 -0.202 -3.051 0.932 1.00 0.00 WT2 O ATOM 31151 H1 TIP3 4387 11.091 5.504 10.164 1.00 0.00 WT2 H ATOM 31152 H2 TIP3 4387 2.933 12.701 -25.842 1.00 0.00 WT2 H ATOM 31153 OH2 TIP3 4391 -4.578 -6.156 -0.050 1.00 0.00 WT2 O ATOM 31154 H1 TIP3 4391 12.764 15.707 4.643 1.00 0.00 WT2 H ATOM 31155 H2 TIP3 4391 13.592 27.103 -11.370 1.00 0.00 WT2 H ATOM 31156 OH2 TIP3 4392 -9.018 14.470 7.127 1.00 0.00 WT2 O ATOM 31157 H1 TIP3 4392 -19.098 21.610 11.479 1.00 0.00 WT2 H ATOM 31158 H2 TIP3 4392 3.542 18.039 -0.516 1.00 0.00 WT2 H ATOM 31159 OH2 TIP3 4393 2.724 3.776 3.806 1.00 0.00 WT2 O ATOM 31160 H1 TIP3 4393 -10.182 0.524 -2.567 1.00 0.00 WT2 H ATOM 31161 H2 TIP3 4393 6.549 -3.062 -1.097 1.00 0.00 WT2 H ATOM 31162 OH2 TIP3 4394 -2.909 0.122 5.155 1.00 0.00 WT2 O ATOM 31163 H1 TIP3 4394 -12.464 -9.145 14.200 1.00 0.00 WT2 H ATOM 31164 H2 TIP3 4394 11.046 8.506 -3.528 1.00 0.00 WT2 H ATOM 31165 OH2 TIP3 4395 4.836 1.416 -0.238 1.00 0.00 WT2 O ATOM 31166 H1 TIP3 4395 6.731 -14.471 -9.518 1.00 0.00 WT2 H ATOM 31167 H2 TIP3 4395 6.091 1.368 1.635 1.00 0.00 WT2 H ATOM 31168 OH2 TIP3 4399 3.675 1.443 -5.784 1.00 0.00 WT2 O ATOM 31169 H1 TIP3 4399 10.859 12.962 -0.221 1.00 0.00 WT2 H ATOM 31170 H2 TIP3 4399 -1.643 15.900 -9.256 1.00 0.00 WT2 H ATOM 31171 OH2 TIP3 4411 -9.690 1.347 1.982 1.00 0.00 WT2 O ATOM 31172 H1 TIP3 4411 -6.533 8.434 -6.396 1.00 0.00 WT2 H ATOM 31173 H2 TIP3 4411 -15.792 5.630 -6.269 1.00 0.00 WT2 H ATOM 31174 OH2 TIP3 4414 -6.685 2.613 -3.629 1.00 0.00 WT2 O ATOM 31175 H1 TIP3 4414 -9.283 2.321 5.468 1.00 0.00 WT2 H ATOM 31176 H2 TIP3 4414 -10.649 2.778 -4.233 1.00 0.00 WT2 H ATOM 31177 OH2 TIP3 4417 3.030 0.825 -2.208 1.00 0.00 WT2 O ATOM 31178 H1 TIP3 4417 -19.068 -17.846 -2.355 1.00 0.00 WT2 H ATOM 31179 H2 TIP3 4417 2.124 -23.812 -3.762 1.00 0.00 WT2 H ATOM 31180 OH2 TIP3 4419 0.365 0.631 2.189 1.00 0.00 WT2 O ATOM 31181 H1 TIP3 4419 0.718 16.570 -1.382 1.00 0.00 WT2 H ATOM 31182 H2 TIP3 4419 19.337 -5.571 6.664 1.00 0.00 WT2 H ATOM 31183 OH2 TIP3 4432 0.100 -6.694 3.390 1.00 0.00 WT2 O ATOM 31184 H1 TIP3 4432 7.001 18.366 5.441 1.00 0.00 WT2 H ATOM 31185 H2 TIP3 4432 2.287 -12.751 19.602 1.00 0.00 WT2 H ATOM 31186 OH2 TIP3 4434 3.219 -2.268 -2.442 1.00 0.00 WT2 O ATOM 31187 H1 TIP3 4434 1.744 -1.088 -7.581 1.00 0.00 WT2 H ATOM 31188 H2 TIP3 4434 14.517 -12.779 1.899 1.00 0.00 WT2 H ATOM 31189 OH2 TIP3 4435 2.608 3.359 -5.715 1.00 0.00 WT2 O ATOM 31190 H1 TIP3 4435 -11.510 5.770 7.136 1.00 0.00 WT2 H ATOM 31191 H2 TIP3 4435 -23.212 9.294 17.551 1.00 0.00 WT2 H ATOM 31192 OH2 TIP3 4437 3.071 -1.218 -1.329 1.00 0.00 WT2 O ATOM 31193 H1 TIP3 4437 0.478 -2.902 -23.709 1.00 0.00 WT2 H ATOM 31194 H2 TIP3 4437 0.358 3.305 -7.628 1.00 0.00 WT2 H ATOM 31195 OH2 TIP3 4438 -4.792 0.439 -2.112 1.00 0.00 WT2 O ATOM 31196 H1 TIP3 4438 7.265 -4.407 -8.027 1.00 0.00 WT2 H ATOM 31197 H2 TIP3 4438 1.425 -2.654 -5.102 1.00 0.00 WT2 H ATOM 31198 OH2 TIP3 4453 -5.551 -6.225 -1.740 1.00 0.00 WT2 O ATOM 31199 H1 TIP3 4453 -9.571 2.248 7.860 1.00 0.00 WT2 H ATOM 31200 H2 TIP3 4453 -1.325 -17.356 -18.471 1.00 0.00 WT2 H ATOM 31201 OH2 TIP3 4454 -1.800 1.084 6.011 1.00 0.00 WT2 O ATOM 31202 H1 TIP3 4454 9.296 5.621 10.566 1.00 0.00 WT2 H ATOM 31203 H2 TIP3 4454 -12.317 -2.726 2.052 1.00 0.00 WT2 H ATOM 31204 OH2 TIP3 4455 -0.823 -8.239 3.321 1.00 0.00 WT2 O ATOM 31205 H1 TIP3 4455 -1.822 -13.338 4.559 1.00 0.00 WT2 H ATOM 31206 H2 TIP3 4455 -0.550 -5.057 8.147 1.00 0.00 WT2 H ATOM 31207 OH2 TIP3 4457 3.530 -6.539 0.471 1.00 0.00 WT2 O ATOM 31208 H1 TIP3 4457 3.883 -5.207 -6.487 1.00 0.00 WT2 H ATOM 31209 H2 TIP3 4457 13.505 4.828 1.201 1.00 0.00 WT2 H ATOM 31210 OH2 TIP3 4461 -5.656 -0.115 -0.197 1.00 0.00 WT2 O ATOM 31211 H1 TIP3 4461 -13.546 -7.624 -0.358 1.00 0.00 WT2 H ATOM 31212 H2 TIP3 4461 9.023 -15.228 -2.444 1.00 0.00 WT2 H ATOM 31213 OH2 TIP3 4473 0.822 3.383 -1.933 1.00 0.00 WT2 O ATOM 31214 H1 TIP3 4473 5.202 -4.138 -10.459 1.00 0.00 WT2 H ATOM 31215 H2 TIP3 4473 -9.883 -1.453 -2.277 1.00 0.00 WT2 H ATOM 31216 OH2 TIP3 4474 2.179 -0.603 0.014 1.00 0.00 WT2 O ATOM 31217 H1 TIP3 4474 -7.265 -5.165 6.351 1.00 0.00 WT2 H ATOM 31218 H2 TIP3 4474 18.902 -16.411 -0.260 1.00 0.00 WT2 H ATOM 31219 OH2 TIP3 4477 -2.381 -9.523 6.626 1.00 0.00 WT2 O ATOM 31220 H1 TIP3 4477 -4.148 -8.529 9.125 1.00 0.00 WT2 H ATOM 31221 H2 TIP3 4477 -0.431 -8.789 11.446 1.00 0.00 WT2 H ATOM 31222 OH2 TIP3 4478 -6.577 2.198 3.270 1.00 0.00 WT2 O ATOM 31223 H1 TIP3 4478 -9.259 -22.776 -19.582 1.00 0.00 WT2 H ATOM 31224 H2 TIP3 4478 -2.502 9.837 -5.974 1.00 0.00 WT2 H ATOM 31225 OH2 TIP3 4479 0.630 3.067 6.018 1.00 0.00 WT2 O ATOM 31226 H1 TIP3 4479 14.835 14.938 5.528 1.00 0.00 WT2 H ATOM 31227 H2 TIP3 4479 13.160 7.633 8.634 1.00 0.00 WT2 H ATOM 31228 OH2 TIP3 4480 0.836 1.191 4.562 1.00 0.00 WT2 O ATOM 31229 H1 TIP3 4480 -8.602 14.853 -10.705 1.00 0.00 WT2 H ATOM 31230 H2 TIP3 4480 -36.328 18.823 3.528 1.00 0.00 WT2 H ATOM 31231 OH2 TIP3 4481 -1.483 2.423 -4.063 1.00 0.00 WT2 O ATOM 31232 H1 TIP3 4481 8.110 -6.307 -7.655 1.00 0.00 WT2 H ATOM 31233 H2 TIP3 4481 -23.178 15.958 2.355 1.00 0.00 WT2 H ATOM 31234 OH2 TIP3 4496 -1.837 -0.965 -3.667 1.00 0.00 WT2 O ATOM 31235 H1 TIP3 4496 -4.721 -12.152 19.973 1.00 0.00 WT2 H ATOM 31236 H2 TIP3 4496 2.790 -3.211 -1.388 1.00 0.00 WT2 H ATOM 31237 OH2 TIP3 4497 3.520 1.839 1.669 1.00 0.00 WT2 O ATOM 31238 H1 TIP3 4497 20.101 -11.523 -2.506 1.00 0.00 WT2 H ATOM 31239 H2 TIP3 4497 3.297 1.422 1.626 1.00 0.00 WT2 H ATOM 31240 OH2 TIP3 4499 0.806 -2.916 2.262 1.00 0.00 WT2 O ATOM 31241 H1 TIP3 4499 5.083 5.161 18.524 1.00 0.00 WT2 H ATOM 31242 H2 TIP3 4499 7.374 -23.753 -3.027 1.00 0.00 WT2 H ATOM 31243 OH2 TIP3 4500 7.718 3.845 -2.060 1.00 0.00 WT2 O ATOM 31244 H1 TIP3 4500 13.107 6.967 7.868 1.00 0.00 WT2 H ATOM 31245 H2 TIP3 4500 4.692 5.045 -7.946 1.00 0.00 WT2 H ATOM 31246 OH2 TIP3 4501 -6.896 -4.467 -8.009 1.00 0.00 WT2 O ATOM 31247 H1 TIP3 4501 -24.132 4.351 -20.433 1.00 0.00 WT2 H ATOM 31248 H2 TIP3 4501 8.686 16.320 3.223 1.00 0.00 WT2 H ATOM 31249 OH2 TIP3 4513 -3.007 7.218 6.360 1.00 0.00 WT2 O ATOM 31250 H1 TIP3 4513 -9.861 2.627 0.920 1.00 0.00 WT2 H ATOM 31251 H2 TIP3 4513 -13.914 4.698 -12.384 1.00 0.00 WT2 H ATOM 31252 OH2 TIP3 4515 1.363 -0.281 5.957 1.00 0.00 WT2 O ATOM 31253 H1 TIP3 4515 -11.156 10.339 -24.888 1.00 0.00 WT2 H ATOM 31254 H2 TIP3 4515 -2.977 5.329 -11.104 1.00 0.00 WT2 H ATOM 31255 OH2 TIP3 4516 -8.513 1.507 6.375 1.00 0.00 WT2 O ATOM 31256 H1 TIP3 4516 -6.318 -21.846 12.341 1.00 0.00 WT2 H ATOM 31257 H2 TIP3 4516 -10.508 14.727 14.497 1.00 0.00 WT2 H ATOM 31258 OH2 TIP3 4517 2.350 4.041 3.158 1.00 0.00 WT2 O ATOM 31259 H1 TIP3 4517 -7.924 0.034 -17.247 1.00 0.00 WT2 H ATOM 31260 H2 TIP3 4517 7.792 6.725 13.649 1.00 0.00 WT2 H ATOM 31261 OH2 TIP3 4518 1.843 -3.435 -2.772 1.00 0.00 WT2 O ATOM 31262 H1 TIP3 4518 2.269 2.998 -13.239 1.00 0.00 WT2 H ATOM 31263 H2 TIP3 4518 -8.570 -8.709 -2.349 1.00 0.00 WT2 H ATOM 31264 OH2 TIP3 4519 -1.662 5.521 -2.341 1.00 0.00 WT2 O ATOM 31265 H1 TIP3 4519 -12.313 0.815 -20.511 1.00 0.00 WT2 H ATOM 31266 H2 TIP3 4519 -5.367 3.014 -5.128 1.00 0.00 WT2 H ATOM 31267 OH2 TIP3 4523 -0.320 -2.936 -7.768 1.00 0.00 WT2 O ATOM 31268 H1 TIP3 4523 -3.737 2.731 -8.046 1.00 0.00 WT2 H ATOM 31269 H2 TIP3 4523 -13.615 11.104 3.533 1.00 0.00 WT2 H ATOM 31270 OH2 TIP3 4524 -1.162 -6.705 -5.358 1.00 0.00 WT2 O ATOM 31271 H1 TIP3 4524 -6.770 -9.966 -7.437 1.00 0.00 WT2 H ATOM 31272 H2 TIP3 4524 9.618 -0.505 1.941 1.00 0.00 WT2 H ATOM 31273 OH2 TIP3 4536 0.438 -6.196 6.499 1.00 0.00 WT2 O ATOM 31274 H1 TIP3 4536 2.885 -8.197 -8.790 1.00 0.00 WT2 H ATOM 31275 H2 TIP3 4536 0.136 -16.062 6.572 1.00 0.00 WT2 H ATOM 31276 OH2 TIP3 4537 -0.530 -1.077 2.178 1.00 0.00 WT2 O ATOM 31277 H1 TIP3 4537 -1.869 9.581 -15.782 1.00 0.00 WT2 H ATOM 31278 H2 TIP3 4537 -15.762 -24.793 -3.670 1.00 0.00 WT2 H ATOM 31279 OH2 TIP3 4538 4.509 -1.613 3.083 1.00 0.00 WT2 O ATOM 31280 H1 TIP3 4538 14.915 27.171 14.841 1.00 0.00 WT2 H ATOM 31281 H2 TIP3 4538 -6.485 -11.849 -10.706 1.00 0.00 WT2 H ATOM 31282 OH2 TIP3 4540 -2.058 -3.930 1.131 1.00 0.00 WT2 O ATOM 31283 H1 TIP3 4540 -0.257 -4.037 -2.482 1.00 0.00 WT2 H ATOM 31284 H2 TIP3 4540 -13.715 -0.497 29.235 1.00 0.00 WT2 H ATOM 31285 OH2 TIP3 4544 -4.958 2.535 -5.443 1.00 0.00 WT2 O ATOM 31286 H1 TIP3 4544 -5.920 6.217 3.197 1.00 0.00 WT2 H ATOM 31287 H2 TIP3 4544 1.254 22.378 9.977 1.00 0.00 WT2 H ATOM 31288 OH2 TIP3 4553 0.491 -5.162 3.590 1.00 0.00 WT2 O ATOM 31289 H1 TIP3 4553 -14.788 11.152 -14.146 1.00 0.00 WT2 H ATOM 31290 H2 TIP3 4553 2.122 1.869 -6.392 1.00 0.00 WT2 H ATOM 31291 OH2 TIP3 4558 -1.845 6.498 0.039 1.00 0.00 WT2 O ATOM 31292 H1 TIP3 4558 19.351 -22.524 -0.132 1.00 0.00 WT2 H ATOM 31293 H2 TIP3 4558 -12.789 1.817 16.541 1.00 0.00 WT2 H ATOM 31294 OH2 TIP3 4559 -2.293 1.617 -5.178 1.00 0.00 WT2 O ATOM 31295 H1 TIP3 4559 -10.519 12.648 -19.374 1.00 0.00 WT2 H ATOM 31296 H2 TIP3 4559 20.771 -2.307 13.074 1.00 0.00 WT2 H ATOM 31297 OH2 TIP3 4560 -3.218 2.519 -2.077 1.00 0.00 WT2 O ATOM 31298 H1 TIP3 4560 -9.343 -22.330 3.518 1.00 0.00 WT2 H ATOM 31299 H2 TIP3 4560 -13.381 -23.390 2.412 1.00 0.00 WT2 H ATOM 31300 OH2 TIP3 4561 -5.651 4.894 -1.948 1.00 0.00 WT2 O ATOM 31301 H1 TIP3 4561 -9.052 14.746 -7.320 1.00 0.00 WT2 H ATOM 31302 H2 TIP3 4561 29.619 3.689 -2.262 1.00 0.00 WT2 H ATOM 31303 OH2 TIP3 4562 2.992 -0.243 1.381 1.00 0.00 WT2 O ATOM 31304 H1 TIP3 4562 11.079 6.955 7.472 1.00 0.00 WT2 H ATOM 31305 H2 TIP3 4562 -3.308 9.335 -6.260 1.00 0.00 WT2 H ATOM 31306 OH2 TIP3 4563 5.008 3.932 -7.665 1.00 0.00 WT2 O ATOM 31307 H1 TIP3 4563 -4.475 16.991 -3.213 1.00 0.00 WT2 H ATOM 31308 H2 TIP3 4563 9.520 2.058 6.887 1.00 0.00 WT2 H ATOM 31309 OH2 TIP3 4565 -2.328 3.053 0.919 1.00 0.00 WT2 O ATOM 31310 H1 TIP3 4565 4.174 2.380 -15.362 1.00 0.00 WT2 H ATOM 31311 H2 TIP3 4565 -16.788 13.083 -0.599 1.00 0.00 WT2 H ATOM 31312 OH2 TIP3 4569 -2.628 0.811 -5.526 1.00 0.00 WT2 O ATOM 31313 H1 TIP3 4569 25.873 4.097 -11.361 1.00 0.00 WT2 H ATOM 31314 H2 TIP3 4569 -8.776 -22.929 -15.255 1.00 0.00 WT2 H ATOM 31315 OH2 TIP3 4578 -2.966 -4.798 -1.624 1.00 0.00 WT2 O ATOM 31316 H1 TIP3 4578 10.158 -15.968 1.336 1.00 0.00 WT2 H ATOM 31317 H2 TIP3 4578 -1.292 5.113 8.451 1.00 0.00 WT2 H ATOM 31318 OH2 TIP3 4581 5.192 2.548 -2.871 1.00 0.00 WT2 O ATOM 31319 H1 TIP3 4581 19.410 6.772 -18.629 1.00 0.00 WT2 H ATOM 31320 H2 TIP3 4581 1.654 -7.723 -9.493 1.00 0.00 WT2 H ATOM 31321 OH2 TIP3 4582 6.694 -6.266 -7.734 1.00 0.00 WT2 O ATOM 31322 H1 TIP3 4582 15.116 -2.432 -4.733 1.00 0.00 WT2 H ATOM 31323 H2 TIP3 4582 7.368 -12.299 -11.299 1.00 0.00 WT2 H ATOM 31324 OH2 TIP3 4586 7.840 -0.545 0.632 1.00 0.00 WT2 O ATOM 31325 H1 TIP3 4586 7.753 -2.624 14.577 1.00 0.00 WT2 H ATOM 31326 H2 TIP3 4586 17.391 11.108 -9.217 1.00 0.00 WT2 H ATOM 31327 OH2 TIP3 4599 -5.109 5.339 4.687 1.00 0.00 WT2 O ATOM 31328 H1 TIP3 4599 -9.081 -8.217 1.261 1.00 0.00 WT2 H ATOM 31329 H2 TIP3 4599 8.386 4.321 13.456 1.00 0.00 WT2 H ATOM 31330 OH2 TIP3 4600 7.225 1.893 -5.226 1.00 0.00 WT2 O ATOM 31331 H1 TIP3 4600 9.384 5.975 -13.200 1.00 0.00 WT2 H ATOM 31332 H2 TIP3 4600 1.637 -6.783 -7.369 1.00 0.00 WT2 H ATOM 31333 OH2 TIP3 4602 -7.851 0.176 0.083 1.00 0.00 WT2 O ATOM 31334 H1 TIP3 4602 -5.772 -14.022 8.582 1.00 0.00 WT2 H ATOM 31335 H2 TIP3 4602 -14.938 2.813 -6.478 1.00 0.00 WT2 H ATOM 31336 OH2 TIP3 4603 0.690 2.455 -4.738 1.00 0.00 WT2 O ATOM 31337 H1 TIP3 4603 11.680 6.162 1.095 1.00 0.00 WT2 H ATOM 31338 H2 TIP3 4603 -2.055 17.334 3.094 1.00 0.00 WT2 H ATOM 31339 OH2 TIP3 4621 -0.576 0.008 0.041 1.00 0.00 WT2 O ATOM 31340 H1 TIP3 4621 10.060 6.902 8.935 1.00 0.00 WT2 H ATOM 31341 H2 TIP3 4621 3.651 10.118 -9.309 1.00 0.00 WT2 H ATOM 31342 OH2 TIP3 4622 4.078 -2.264 2.819 1.00 0.00 WT2 O ATOM 31343 H1 TIP3 4622 -11.531 -34.240 26.051 1.00 0.00 WT2 H ATOM 31344 H2 TIP3 4622 10.114 -30.908 -4.826 1.00 0.00 WT2 H ATOM 31345 OH2 TIP3 4623 2.184 6.764 -2.534 1.00 0.00 WT2 O ATOM 31346 H1 TIP3 4623 -15.719 -24.194 4.196 1.00 0.00 WT2 H ATOM 31347 H2 TIP3 4623 13.814 17.895 4.157 1.00 0.00 WT2 H ATOM 31348 OH2 TIP3 4625 3.980 -2.340 3.843 1.00 0.00 WT2 O ATOM 31349 H1 TIP3 4625 -0.989 10.286 5.793 1.00 0.00 WT2 H ATOM 31350 H2 TIP3 4625 18.711 22.159 -18.841 1.00 0.00 WT2 H ATOM 31351 OH2 TIP3 4627 1.431 -2.373 0.149 1.00 0.00 WT2 O ATOM 31352 H1 TIP3 4627 -44.832 14.250 16.041 1.00 0.00 WT2 H ATOM 31353 H2 TIP3 4627 -28.772 9.183 8.370 1.00 0.00 WT2 H ATOM 31354 OH2 TIP3 4628 -5.136 -4.152 1.818 1.00 0.00 WT2 O ATOM 31355 H1 TIP3 4628 3.589 -5.618 18.561 1.00 0.00 WT2 H ATOM 31356 H2 TIP3 4628 -2.168 -6.142 14.763 1.00 0.00 WT2 H ATOM 31357 OH2 TIP3 4641 -1.585 -5.517 4.565 1.00 0.00 WT2 O ATOM 31358 H1 TIP3 4641 -5.354 -27.531 3.632 1.00 0.00 WT2 H ATOM 31359 H2 TIP3 4641 3.374 15.588 5.003 1.00 0.00 WT2 H ATOM 31360 OH2 TIP3 4643 0.828 5.584 -0.361 1.00 0.00 WT2 O ATOM 31361 H1 TIP3 4643 0.166 -2.465 -5.113 1.00 0.00 WT2 H ATOM 31362 H2 TIP3 4643 6.810 2.541 -2.270 1.00 0.00 WT2 H ATOM 31363 OH2 TIP3 4644 -3.512 -4.577 0.909 1.00 0.00 WT2 O ATOM 31364 H1 TIP3 4644 -20.842 -13.603 11.256 1.00 0.00 WT2 H ATOM 31365 H2 TIP3 4644 10.575 -20.871 -2.525 1.00 0.00 WT2 H ATOM 31366 OH2 TIP3 4645 4.909 5.805 5.788 1.00 0.00 WT2 O ATOM 31367 H1 TIP3 4645 0.682 1.852 8.864 1.00 0.00 WT2 H ATOM 31368 H2 TIP3 4645 7.151 11.496 7.522 1.00 0.00 WT2 H ATOM 31369 OH2 TIP3 4647 -5.009 -1.003 -5.125 1.00 0.00 WT2 O ATOM 31370 H1 TIP3 4647 -27.199 1.441 -4.440 1.00 0.00 WT2 H ATOM 31371 H2 TIP3 4647 -5.370 2.363 -1.091 1.00 0.00 WT2 H ATOM 31372 OH2 TIP3 4648 -2.569 2.568 0.886 1.00 0.00 WT2 O ATOM 31373 H1 TIP3 4648 -16.471 -1.440 -3.695 1.00 0.00 WT2 H ATOM 31374 H2 TIP3 4648 -9.737 22.436 9.398 1.00 0.00 WT2 H ATOM 31375 OH2 TIP3 4661 4.340 -7.809 2.818 1.00 0.00 WT2 O ATOM 31376 H1 TIP3 4661 2.073 -7.564 7.125 1.00 0.00 WT2 H ATOM 31377 H2 TIP3 4661 6.656 -1.858 -2.001 1.00 0.00 WT2 H ATOM 31378 OH2 TIP3 4663 5.418 1.416 -2.619 1.00 0.00 WT2 O ATOM 31379 H1 TIP3 4663 8.295 -8.386 -20.005 1.00 0.00 WT2 H ATOM 31380 H2 TIP3 4663 -6.243 3.008 -16.892 1.00 0.00 WT2 H ATOM 31381 OH2 TIP3 4664 -7.157 4.381 -3.170 1.00 0.00 WT2 O ATOM 31382 H1 TIP3 4664 -7.669 11.752 -8.652 1.00 0.00 WT2 H ATOM 31383 H2 TIP3 4664 -7.098 8.099 1.116 1.00 0.00 WT2 H ATOM 31384 OH2 TIP3 4665 5.889 0.718 -1.838 1.00 0.00 WT2 O ATOM 31385 H1 TIP3 4665 -4.145 7.153 -11.148 1.00 0.00 WT2 H ATOM 31386 H2 TIP3 4665 12.035 -4.151 5.935 1.00 0.00 WT2 H ATOM 31387 OH2 TIP3 4666 2.328 0.758 3.432 1.00 0.00 WT2 O ATOM 31388 H1 TIP3 4666 14.749 -14.277 10.452 1.00 0.00 WT2 H ATOM 31389 H2 TIP3 4666 13.660 7.090 13.149 1.00 0.00 WT2 H ATOM 31390 OH2 TIP3 4667 4.251 -5.093 -0.001 1.00 0.00 WT2 O ATOM 31391 H1 TIP3 4667 -12.404 4.745 -18.692 1.00 0.00 WT2 H ATOM 31392 H2 TIP3 4667 23.698 6.653 0.597 1.00 0.00 WT2 H ATOM 31393 OH2 TIP3 4668 3.539 3.840 -1.249 1.00 0.00 WT2 O ATOM 31394 H1 TIP3 4668 -4.320 19.539 -4.709 1.00 0.00 WT2 H ATOM 31395 H2 TIP3 4668 26.134 12.004 19.093 1.00 0.00 WT2 H ATOM 31396 OH2 TIP3 4670 2.598 5.202 -4.133 1.00 0.00 WT2 O ATOM 31397 H1 TIP3 4670 -16.420 6.254 0.363 1.00 0.00 WT2 H ATOM 31398 H2 TIP3 4670 9.754 -7.778 3.716 1.00 0.00 WT2 H ATOM 31399 OH2 TIP3 4673 1.584 3.117 -0.169 1.00 0.00 WT2 O ATOM 31400 H1 TIP3 4673 -3.299 -7.901 -5.661 1.00 0.00 WT2 H ATOM 31401 H2 TIP3 4673 7.148 -20.426 -14.948 1.00 0.00 WT2 H ATOM 31402 OH2 TIP3 4675 0.992 -2.808 -6.491 1.00 0.00 WT2 O ATOM 31403 H1 TIP3 4675 5.287 -6.044 -22.050 1.00 0.00 WT2 H ATOM 31404 H2 TIP3 4675 -1.027 -20.729 -2.605 1.00 0.00 WT2 H ATOM 31405 OH2 TIP3 4685 1.185 2.434 -1.192 1.00 0.00 WT2 O ATOM 31406 H1 TIP3 4685 -8.394 14.544 -5.486 1.00 0.00 WT2 H ATOM 31407 H2 TIP3 4685 -2.924 20.198 0.256 1.00 0.00 WT2 H ATOM 31408 OH2 TIP3 4686 -4.866 -2.961 -2.662 1.00 0.00 WT2 O ATOM 31409 H1 TIP3 4686 7.270 -15.976 10.114 1.00 0.00 WT2 H ATOM 31410 H2 TIP3 4686 9.225 14.816 -6.070 1.00 0.00 WT2 H ATOM 31411 OH2 TIP3 4687 5.779 -0.242 -0.637 1.00 0.00 WT2 O ATOM 31412 H1 TIP3 4687 7.122 -2.291 -3.633 1.00 0.00 WT2 H ATOM 31413 H2 TIP3 4687 13.977 -2.699 -14.717 1.00 0.00 WT2 H ATOM 31414 OH2 TIP3 4690 1.651 -1.138 -2.217 1.00 0.00 WT2 O ATOM 31415 H1 TIP3 4690 2.472 -6.215 4.447 1.00 0.00 WT2 H ATOM 31416 H2 TIP3 4690 8.950 -4.548 17.376 1.00 0.00 WT2 H ATOM 31417 OH2 TIP3 4694 2.255 -1.794 -4.151 1.00 0.00 WT2 O ATOM 31418 H1 TIP3 4694 1.786 -1.266 -10.835 1.00 0.00 WT2 H ATOM 31419 H2 TIP3 4694 1.057 1.047 -36.330 1.00 0.00 WT2 H ATOM 31420 OH2 TIP3 4704 0.502 -0.800 2.121 1.00 0.00 WT2 O ATOM 31421 H1 TIP3 4704 4.954 7.855 8.688 1.00 0.00 WT2 H ATOM 31422 H2 TIP3 4704 4.781 0.537 -8.451 1.00 0.00 WT2 H ATOM 31423 OH2 TIP3 4706 1.388 -11.042 4.826 1.00 0.00 WT2 O ATOM 31424 H1 TIP3 4706 -2.389 -2.981 -18.046 1.00 0.00 WT2 H ATOM 31425 H2 TIP3 4706 -7.574 29.351 -2.418 1.00 0.00 WT2 H ATOM 31426 OH2 TIP3 4707 0.969 5.995 -5.786 1.00 0.00 WT2 O ATOM 31427 H1 TIP3 4707 16.935 -21.469 -8.037 1.00 0.00 WT2 H ATOM 31428 H2 TIP3 4707 5.143 -2.859 -12.009 1.00 0.00 WT2 H ATOM 31429 OH2 TIP3 4708 -0.268 -0.457 0.940 1.00 0.00 WT2 O ATOM 31430 H1 TIP3 4708 -8.558 20.031 -7.362 1.00 0.00 WT2 H ATOM 31431 H2 TIP3 4708 -12.888 13.953 2.321 1.00 0.00 WT2 H ATOM 31432 OH2 TIP3 4710 -1.061 0.106 4.696 1.00 0.00 WT2 O ATOM 31433 H1 TIP3 4710 1.869 8.655 -9.324 1.00 0.00 WT2 H ATOM 31434 H2 TIP3 4710 13.487 -7.530 17.160 1.00 0.00 WT2 H ATOM 31435 OH2 TIP3 4713 2.770 -3.519 1.168 1.00 0.00 WT2 O ATOM 31436 H1 TIP3 4713 -2.292 -14.555 19.918 1.00 0.00 WT2 H ATOM 31437 H2 TIP3 4713 29.669 -2.134 -12.758 1.00 0.00 WT2 H ATOM 31438 OH2 TIP3 4725 -0.146 10.650 2.469 1.00 0.00 WT2 O ATOM 31439 H1 TIP3 4725 -7.411 16.135 10.451 1.00 0.00 WT2 H ATOM 31440 H2 TIP3 4725 -0.300 4.950 -10.708 1.00 0.00 WT2 H ATOM 31441 OH2 TIP3 4727 2.619 7.162 0.242 1.00 0.00 WT2 O ATOM 31442 H1 TIP3 4727 6.376 -8.621 14.172 1.00 0.00 WT2 H ATOM 31443 H2 TIP3 4727 -15.212 -1.019 -2.534 1.00 0.00 WT2 H ATOM 31444 OH2 TIP3 4732 -2.525 2.676 4.501 1.00 0.00 WT2 O ATOM 31445 H1 TIP3 4732 -4.518 -5.208 -2.602 1.00 0.00 WT2 H ATOM 31446 H2 TIP3 4732 0.475 11.313 11.169 1.00 0.00 WT2 H ATOM 31447 OH2 TIP3 4748 -1.078 3.698 0.575 1.00 0.00 WT2 O ATOM 31448 H1 TIP3 4748 -0.604 22.138 -20.217 1.00 0.00 WT2 H ATOM 31449 H2 TIP3 4748 -24.141 21.044 19.126 1.00 0.00 WT2 H ATOM 31450 OH2 TIP3 4750 -4.625 0.439 -1.789 1.00 0.00 WT2 O ATOM 31451 H1 TIP3 4750 -8.283 3.859 -1.684 1.00 0.00 WT2 H ATOM 31452 H2 TIP3 4750 7.212 17.342 -16.368 1.00 0.00 WT2 H ATOM 31453 OH2 TIP3 4751 1.809 -1.487 4.809 1.00 0.00 WT2 O ATOM 31454 H1 TIP3 4751 3.212 -1.793 15.059 1.00 0.00 WT2 H ATOM 31455 H2 TIP3 4751 0.470 -5.724 8.245 1.00 0.00 WT2 H ATOM 31456 OH2 TIP3 4767 -2.807 2.229 0.251 1.00 0.00 WT2 O ATOM 31457 H1 TIP3 4767 1.308 -12.670 -7.454 1.00 0.00 WT2 H ATOM 31458 H2 TIP3 4767 8.078 13.072 -6.027 1.00 0.00 WT2 H ATOM 31459 OH2 TIP3 4768 -3.895 2.559 0.482 1.00 0.00 WT2 O ATOM 31460 H1 TIP3 4768 -7.865 -7.506 -4.037 1.00 0.00 WT2 H ATOM 31461 H2 TIP3 4768 -1.276 13.252 2.870 1.00 0.00 WT2 H ATOM 31462 OH2 TIP3 4770 3.792 2.827 -8.346 1.00 0.00 WT2 O ATOM 31463 H1 TIP3 4770 10.798 5.480 17.120 1.00 0.00 WT2 H ATOM 31464 H2 TIP3 4770 -24.188 15.307 5.404 1.00 0.00 WT2 H ATOM 31465 OH2 TIP3 4774 2.110 -1.059 -1.834 1.00 0.00 WT2 O ATOM 31466 H1 TIP3 4774 -21.515 -3.957 2.317 1.00 0.00 WT2 H ATOM 31467 H2 TIP3 4774 -11.981 -8.591 6.679 1.00 0.00 WT2 H ATOM 31468 OH2 TIP3 4787 -1.586 -2.530 3.849 1.00 0.00 WT2 O ATOM 31469 H1 TIP3 4787 -0.602 0.358 0.414 1.00 0.00 WT2 H ATOM 31470 H2 TIP3 4787 -2.547 -2.802 1.120 1.00 0.00 WT2 H ATOM 31471 OH2 TIP3 4790 -5.397 1.918 0.225 1.00 0.00 WT2 O ATOM 31472 H1 TIP3 4790 -8.413 11.558 -11.093 1.00 0.00 WT2 H ATOM 31473 H2 TIP3 4790 6.794 -5.979 -5.180 1.00 0.00 WT2 H ATOM 31474 OH2 TIP3 4791 -3.806 2.011 4.915 1.00 0.00 WT2 O ATOM 31475 H1 TIP3 4791 3.378 -10.757 10.481 1.00 0.00 WT2 H ATOM 31476 H2 TIP3 4791 -12.852 4.080 -9.039 1.00 0.00 WT2 H ATOM 31477 OH2 TIP3 4792 -0.350 -0.515 -9.081 1.00 0.00 WT2 O ATOM 31478 H1 TIP3 4792 7.974 10.103 -2.046 1.00 0.00 WT2 H ATOM 31479 H2 TIP3 4792 5.027 5.985 -4.866 1.00 0.00 WT2 H ATOM 31480 OH2 TIP3 4793 4.976 5.986 3.232 1.00 0.00 WT2 O ATOM 31481 H1 TIP3 4793 11.806 -9.993 -4.474 1.00 0.00 WT2 H ATOM 31482 H2 TIP3 4793 -8.195 25.739 20.863 1.00 0.00 WT2 H ATOM 31483 OH2 TIP3 4794 0.693 1.849 2.144 1.00 0.00 WT2 O ATOM 31484 H1 TIP3 4794 6.334 1.342 -7.817 1.00 0.00 WT2 H ATOM 31485 H2 TIP3 4794 -3.256 10.079 4.089 1.00 0.00 WT2 H ATOM 31486 OH2 TIP3 4808 -6.411 2.029 2.738 1.00 0.00 WT2 O ATOM 31487 H1 TIP3 4808 9.049 -2.911 14.144 1.00 0.00 WT2 H ATOM 31488 H2 TIP3 4808 -22.541 5.012 -15.223 1.00 0.00 WT2 H ATOM 31489 OH2 TIP3 4809 7.398 5.488 -1.135 1.00 0.00 WT2 O ATOM 31490 H1 TIP3 4809 -0.886 -0.241 -0.892 1.00 0.00 WT2 H ATOM 31491 H2 TIP3 4809 12.191 6.363 0.992 1.00 0.00 WT2 H ATOM 31492 OH2 TIP3 4811 5.028 0.261 1.301 1.00 0.00 WT2 O ATOM 31493 H1 TIP3 4811 21.582 -1.996 -4.560 1.00 0.00 WT2 H ATOM 31494 H2 TIP3 4811 -29.449 0.233 7.536 1.00 0.00 WT2 H ATOM 31495 OH2 TIP3 4813 -2.095 7.093 -0.483 1.00 0.00 WT2 O ATOM 31496 H1 TIP3 4813 -10.207 -5.510 11.239 1.00 0.00 WT2 H ATOM 31497 H2 TIP3 4813 6.216 3.471 9.554 1.00 0.00 WT2 H ATOM 31498 OH2 TIP3 4816 -1.300 0.186 -8.239 1.00 0.00 WT2 O ATOM 31499 H1 TIP3 4816 3.547 0.258 6.244 1.00 0.00 WT2 H ATOM 31500 H2 TIP3 4816 0.547 15.938 -0.026 1.00 0.00 WT2 H ATOM 31501 OH2 TIP3 4832 0.277 1.222 -9.086 1.00 0.00 WT2 O ATOM 31502 H1 TIP3 4832 1.116 3.432 -5.744 1.00 0.00 WT2 H ATOM 31503 H2 TIP3 4832 0.982 1.842 -6.735 1.00 0.00 WT2 H ATOM 31504 OH2 TIP3 4834 3.835 -1.810 -1.953 1.00 0.00 WT2 O ATOM 31505 H1 TIP3 4834 4.297 -6.978 -2.990 1.00 0.00 WT2 H ATOM 31506 H2 TIP3 4834 4.934 -3.200 1.732 1.00 0.00 WT2 H ATOM 31507 OH2 TIP3 4835 6.549 -2.464 3.383 1.00 0.00 WT2 O ATOM 31508 H1 TIP3 4835 5.683 -7.522 17.951 1.00 0.00 WT2 H ATOM 31509 H2 TIP3 4835 1.953 4.753 0.367 1.00 0.00 WT2 H ATOM 31510 OH2 TIP3 4836 0.125 -5.352 3.283 1.00 0.00 WT2 O ATOM 31511 H1 TIP3 4836 -13.090 13.898 10.572 1.00 0.00 WT2 H ATOM 31512 H2 TIP3 4836 16.461 2.139 -18.573 1.00 0.00 WT2 H ATOM 31513 OH2 TIP3 4839 1.909 5.959 0.367 1.00 0.00 WT2 O ATOM 31514 H1 TIP3 4839 -8.518 19.535 5.511 1.00 0.00 WT2 H ATOM 31515 H2 TIP3 4839 12.020 3.656 -14.524 1.00 0.00 WT2 H ATOM 31516 OH2 TIP3 4841 -0.818 5.054 6.942 1.00 0.00 WT2 O ATOM 31517 H1 TIP3 4841 2.476 1.287 8.239 1.00 0.00 WT2 H ATOM 31518 H2 TIP3 4841 -2.459 3.125 7.902 1.00 0.00 WT2 H ATOM 31519 OH2 TIP3 4849 -0.056 -4.985 -1.211 1.00 0.00 WT2 O ATOM 31520 H1 TIP3 4849 -6.513 26.545 -7.652 1.00 0.00 WT2 H ATOM 31521 H2 TIP3 4849 -9.831 3.013 17.008 1.00 0.00 WT2 H ATOM 31522 OH2 TIP3 4851 -1.538 -4.139 1.636 1.00 0.00 WT2 O ATOM 31523 H1 TIP3 4851 -5.825 -19.015 -12.384 1.00 0.00 WT2 H ATOM 31524 H2 TIP3 4851 -16.022 6.208 -0.567 1.00 0.00 WT2 H ATOM 31525 OH2 TIP3 4853 7.245 -0.108 -3.057 1.00 0.00 WT2 O ATOM 31526 H1 TIP3 4853 -21.311 2.797 26.351 1.00 0.00 WT2 H ATOM 31527 H2 TIP3 4853 -17.193 -6.758 16.060 1.00 0.00 WT2 H ATOM 31528 OH2 TIP3 4854 2.650 3.892 3.091 1.00 0.00 WT2 O ATOM 31529 H1 TIP3 4854 6.894 10.651 -23.952 1.00 0.00 WT2 H ATOM 31530 H2 TIP3 4854 2.745 -3.371 28.508 1.00 0.00 WT2 H ATOM 31531 OH2 TIP3 4855 0.824 -1.902 -3.626 1.00 0.00 WT2 O ATOM 31532 H1 TIP3 4855 -0.394 -2.955 -2.380 1.00 0.00 WT2 H ATOM 31533 H2 TIP3 4855 -4.752 -2.621 -13.312 1.00 0.00 WT2 H ATOM 31534 OH2 TIP3 4857 -1.112 1.214 5.941 1.00 0.00 WT2 O ATOM 31535 H1 TIP3 4857 -15.646 7.474 18.115 1.00 0.00 WT2 H ATOM 31536 H2 TIP3 4857 -12.050 9.187 9.130 1.00 0.00 WT2 H ATOM 31537 OH2 TIP3 4859 2.596 5.782 -7.294 1.00 0.00 WT2 O ATOM 31538 H1 TIP3 4859 -8.584 22.745 11.450 1.00 0.00 WT2 H ATOM 31539 H2 TIP3 4859 -13.604 -7.291 -28.610 1.00 0.00 WT2 H ATOM 31540 OH2 TIP3 4863 0.619 0.242 -0.368 1.00 0.00 WT2 O ATOM 31541 H1 TIP3 4863 1.258 -0.471 5.655 1.00 0.00 WT2 H ATOM 31542 H2 TIP3 4863 2.073 0.886 4.275 1.00 0.00 WT2 H ATOM 31543 OH2 TIP3 4872 -0.882 -3.371 -3.015 1.00 0.00 WT2 O ATOM 31544 H1 TIP3 4872 -6.896 8.032 7.753 1.00 0.00 WT2 H ATOM 31545 H2 TIP3 4872 -2.430 -3.390 -0.210 1.00 0.00 WT2 H ATOM 31546 OH2 TIP3 4875 -6.323 -2.105 0.153 1.00 0.00 WT2 O ATOM 31547 H1 TIP3 4875 -6.225 -8.205 -16.307 1.00 0.00 WT2 H ATOM 31548 H2 TIP3 4875 -5.609 -7.340 -13.809 1.00 0.00 WT2 H ATOM 31549 OH2 TIP3 4876 4.175 -2.396 -2.415 1.00 0.00 WT2 O ATOM 31550 H1 TIP3 4876 -0.486 -9.456 2.220 1.00 0.00 WT2 H ATOM 31551 H2 TIP3 4876 -2.774 -15.437 5.489 1.00 0.00 WT2 H ATOM 31552 OH2 TIP3 4877 -3.040 -3.272 -3.523 1.00 0.00 WT2 O ATOM 31553 H1 TIP3 4877 -3.589 -13.975 6.124 1.00 0.00 WT2 H ATOM 31554 H2 TIP3 4877 -2.184 3.199 -2.683 1.00 0.00 WT2 H ATOM 31555 OH2 TIP3 4879 -2.292 -6.191 0.463 1.00 0.00 WT2 O ATOM 31556 H1 TIP3 4879 -1.673 8.627 19.912 1.00 0.00 WT2 H ATOM 31557 H2 TIP3 4879 14.849 -2.463 -4.041 1.00 0.00 WT2 H ATOM 31558 OH2 TIP3 4890 -1.886 -5.246 1.819 1.00 0.00 WT2 O ATOM 31559 H1 TIP3 4890 -5.176 -3.617 -1.134 1.00 0.00 WT2 H ATOM 31560 H2 TIP3 4890 5.517 -7.437 6.042 1.00 0.00 WT2 H ATOM 31561 OH2 TIP3 4896 3.349 0.485 -0.799 1.00 0.00 WT2 O ATOM 31562 H1 TIP3 4896 11.958 14.539 -13.874 1.00 0.00 WT2 H ATOM 31563 H2 TIP3 4896 -3.541 1.536 1.924 1.00 0.00 WT2 H ATOM 31564 OH2 TIP3 4897 1.085 3.534 2.270 1.00 0.00 WT2 O ATOM 31565 H1 TIP3 4897 3.382 4.444 5.166 1.00 0.00 WT2 H ATOM 31566 H2 TIP3 4897 -8.395 6.319 -5.596 1.00 0.00 WT2 H ATOM 31567 OH2 TIP3 4898 -6.752 -5.749 -2.932 1.00 0.00 WT2 O ATOM 31568 H1 TIP3 4898 11.883 -4.115 -7.609 1.00 0.00 WT2 H ATOM 31569 H2 TIP3 4898 5.852 -14.908 -0.383 1.00 0.00 WT2 H ATOM 31570 OH2 TIP3 4899 2.381 -0.301 2.384 1.00 0.00 WT2 O ATOM 31571 H1 TIP3 4899 3.129 -21.355 -3.034 1.00 0.00 WT2 H ATOM 31572 H2 TIP3 4899 24.079 -2.940 20.152 1.00 0.00 WT2 H ATOM 31573 OH2 TIP3 4904 2.438 0.399 0.249 1.00 0.00 WT2 O ATOM 31574 H1 TIP3 4904 15.101 26.837 -2.075 1.00 0.00 WT2 H ATOM 31575 H2 TIP3 4904 0.501 -19.253 -0.857 1.00 0.00 WT2 H ATOM 31576 OH2 TIP3 4914 0.450 -0.120 -7.198 1.00 0.00 WT2 O ATOM 31577 H1 TIP3 4914 3.027 -5.364 -2.208 1.00 0.00 WT2 H ATOM 31578 H2 TIP3 4914 -6.105 -3.218 -10.396 1.00 0.00 WT2 H ATOM 31579 OH2 TIP3 4915 3.546 -2.698 -1.396 1.00 0.00 WT2 O ATOM 31580 H1 TIP3 4915 9.365 -2.001 6.266 1.00 0.00 WT2 H ATOM 31581 H2 TIP3 4915 -3.287 -8.260 3.978 1.00 0.00 WT2 H ATOM 31582 OH2 TIP3 4916 0.084 -3.424 -7.816 1.00 0.00 WT2 O ATOM 31583 H1 TIP3 4916 -7.410 -3.968 -2.467 1.00 0.00 WT2 H ATOM 31584 H2 TIP3 4916 -8.690 -10.527 4.625 1.00 0.00 WT2 H ATOM 31585 OH2 TIP3 4918 -4.250 3.952 -0.876 1.00 0.00 WT2 O ATOM 31586 H1 TIP3 4918 4.294 5.686 -5.337 1.00 0.00 WT2 H ATOM 31587 H2 TIP3 4918 4.985 4.212 -8.598 1.00 0.00 WT2 H ATOM 31588 OH2 TIP3 4919 3.941 -10.971 -4.297 1.00 0.00 WT2 O ATOM 31589 H1 TIP3 4919 10.345 8.108 -32.622 1.00 0.00 WT2 H ATOM 31590 H2 TIP3 4919 -6.526 5.232 16.810 1.00 0.00 WT2 H ATOM 31591 OH2 TIP3 4921 0.537 3.001 -2.836 1.00 0.00 WT2 O ATOM 31592 H1 TIP3 4921 -1.557 6.079 -8.880 1.00 0.00 WT2 H ATOM 31593 H2 TIP3 4921 6.657 -13.447 4.242 1.00 0.00 WT2 H ATOM 31594 OH2 TIP3 4922 4.084 -5.539 6.176 1.00 0.00 WT2 O ATOM 31595 H1 TIP3 4922 -8.921 -2.479 -5.995 1.00 0.00 WT2 H ATOM 31596 H2 TIP3 4922 20.141 8.603 9.164 1.00 0.00 WT2 H ATOM 31597 OH2 TIP3 4924 -1.476 -1.636 -3.649 1.00 0.00 WT2 O ATOM 31598 H1 TIP3 4924 -7.675 -5.933 -0.603 1.00 0.00 WT2 H ATOM 31599 H2 TIP3 4924 14.865 -0.921 -2.352 1.00 0.00 WT2 H ATOM 31600 OH2 TIP3 4934 -3.064 -2.932 5.299 1.00 0.00 WT2 O ATOM 31601 H1 TIP3 4934 18.382 8.448 16.150 1.00 0.00 WT2 H ATOM 31602 H2 TIP3 4934 -9.778 4.849 0.586 1.00 0.00 WT2 H ATOM 31603 OH2 TIP3 4935 6.911 4.486 0.319 1.00 0.00 WT2 O ATOM 31604 H1 TIP3 4935 -5.905 -8.831 -1.954 1.00 0.00 WT2 H ATOM 31605 H2 TIP3 4935 18.801 -2.810 12.321 1.00 0.00 WT2 H ATOM 31606 OH2 TIP3 4936 -1.249 -3.558 3.301 1.00 0.00 WT2 O ATOM 31607 H1 TIP3 4936 11.696 10.063 -3.318 1.00 0.00 WT2 H ATOM 31608 H2 TIP3 4936 -2.586 0.914 -2.675 1.00 0.00 WT2 H ATOM 31609 OH2 TIP3 4937 -2.686 2.525 0.338 1.00 0.00 WT2 O ATOM 31610 H1 TIP3 4937 -4.305 5.705 14.264 1.00 0.00 WT2 H ATOM 31611 H2 TIP3 4937 -4.725 5.406 11.237 1.00 0.00 WT2 H ATOM 31612 OH2 TIP3 4939 -3.411 3.650 -0.277 1.00 0.00 WT2 O ATOM 31613 H1 TIP3 4939 -3.844 28.561 -26.283 1.00 0.00 WT2 H ATOM 31614 H2 TIP3 4939 -42.503 -7.906 -0.805 1.00 0.00 WT2 H ATOM 31615 OH2 TIP3 4942 2.614 -0.897 6.385 1.00 0.00 WT2 O ATOM 31616 H1 TIP3 4942 21.579 -7.474 1.264 1.00 0.00 WT2 H ATOM 31617 H2 TIP3 4942 -1.187 0.439 7.381 1.00 0.00 WT2 H ATOM 31618 OH2 TIP3 4956 -6.128 -5.247 7.950 1.00 0.00 WT2 O ATOM 31619 H1 TIP3 4956 -5.561 6.689 15.173 1.00 0.00 WT2 H ATOM 31620 H2 TIP3 4956 -6.426 13.662 22.317 1.00 0.00 WT2 H ATOM 31621 OH2 TIP3 4957 1.383 -0.165 3.360 1.00 0.00 WT2 O ATOM 31622 H1 TIP3 4957 30.627 -14.724 11.084 1.00 0.00 WT2 H ATOM 31623 H2 TIP3 4957 26.609 -0.284 12.057 1.00 0.00 WT2 H ATOM 31624 OH2 TIP3 4962 6.732 0.802 2.121 1.00 0.00 WT2 O ATOM 31625 H1 TIP3 4962 21.627 1.778 -21.704 1.00 0.00 WT2 H ATOM 31626 H2 TIP3 4962 20.133 11.876 -3.150 1.00 0.00 WT2 H ATOM 31627 OH2 TIP3 4963 -2.173 0.133 0.719 1.00 0.00 WT2 O ATOM 31628 H1 TIP3 4963 -10.883 20.513 18.345 1.00 0.00 WT2 H ATOM 31629 H2 TIP3 4963 10.720 3.503 9.673 1.00 0.00 WT2 H ATOM 31630 OH2 TIP3 4965 -5.018 0.100 2.690 1.00 0.00 WT2 O ATOM 31631 H1 TIP3 4965 -7.179 -2.540 0.135 1.00 0.00 WT2 H ATOM 31632 H2 TIP3 4965 -9.579 -0.388 5.426 1.00 0.00 WT2 H ATOM 31633 OH2 TIP3 4978 2.717 3.146 6.033 1.00 0.00 WT2 O ATOM 31634 H1 TIP3 4978 -10.946 4.612 8.241 1.00 0.00 WT2 H ATOM 31635 H2 TIP3 4978 -11.991 12.530 -3.081 1.00 0.00 WT2 H ATOM 31636 OH2 TIP3 4980 -1.471 -0.410 10.961 1.00 0.00 WT2 O ATOM 31637 H1 TIP3 4980 -8.483 -1.724 3.806 1.00 0.00 WT2 H ATOM 31638 H2 TIP3 4980 -5.767 0.214 -1.897 1.00 0.00 WT2 H ATOM 31639 OH2 TIP3 4981 4.014 -1.925 1.156 1.00 0.00 WT2 O ATOM 31640 H1 TIP3 4981 3.216 -1.238 -1.819 1.00 0.00 WT2 H ATOM 31641 H2 TIP3 4981 1.928 -2.098 2.462 1.00 0.00 WT2 H ATOM 31642 OH2 TIP3 4982 4.146 4.544 -4.576 1.00 0.00 WT2 O ATOM 31643 H1 TIP3 4982 26.796 8.546 -6.091 1.00 0.00 WT2 H ATOM 31644 H2 TIP3 4982 -4.216 -2.450 -8.430 1.00 0.00 WT2 H ATOM 31645 OH2 TIP3 4983 4.294 2.519 -2.348 1.00 0.00 WT2 O ATOM 31646 H1 TIP3 4983 -10.717 21.593 3.485 1.00 0.00 WT2 H ATOM 31647 H2 TIP3 4983 5.999 8.085 -10.850 1.00 0.00 WT2 H ATOM 31648 OH2 TIP3 4985 1.301 2.648 -3.495 1.00 0.00 WT2 O ATOM 31649 H1 TIP3 4985 15.607 10.437 -10.796 1.00 0.00 WT2 H ATOM 31650 H2 TIP3 4985 -19.637 -4.310 -3.929 1.00 0.00 WT2 H ATOM 31651 OH2 TIP3 4996 -2.715 -1.877 -4.768 1.00 0.00 WT2 O ATOM 31652 H1 TIP3 4996 -11.902 -6.873 -4.318 1.00 0.00 WT2 H ATOM 31653 H2 TIP3 4996 -2.361 -4.434 -7.585 1.00 0.00 WT2 H ATOM 31654 OH2 TIP3 4998 1.846 2.771 2.809 1.00 0.00 WT2 O ATOM 31655 H1 TIP3 4998 4.901 7.299 3.961 1.00 0.00 WT2 H ATOM 31656 H2 TIP3 4998 3.829 -0.341 6.100 1.00 0.00 WT2 H ATOM 31657 OH2 TIP3 4999 -4.898 1.885 0.450 1.00 0.00 WT2 O ATOM 31658 H1 TIP3 4999 1.546 7.236 -3.772 1.00 0.00 WT2 H ATOM 31659 H2 TIP3 4999 -9.251 -1.116 -6.270 1.00 0.00 WT2 H ATOM 31660 OH2 TIP3 5000 -0.978 1.387 0.320 1.00 0.00 WT2 O ATOM 31661 H1 TIP3 5000 7.834 -13.805 -4.586 1.00 0.00 WT2 H ATOM 31662 H2 TIP3 5000 -7.378 -9.995 -0.169 1.00 0.00 WT2 H ATOM 31663 OH2 TIP3 5001 -6.795 -0.041 4.759 1.00 0.00 WT2 O ATOM 31664 H1 TIP3 5001 -13.971 1.929 -5.046 1.00 0.00 WT2 H ATOM 31665 H2 TIP3 5001 15.165 9.922 -4.062 1.00 0.00 WT2 H ATOM 31666 OH2 TIP3 5002 -0.707 5.446 1.893 1.00 0.00 WT2 O ATOM 31667 H1 TIP3 5002 2.865 10.477 17.104 1.00 0.00 WT2 H ATOM 31668 H2 TIP3 5002 -7.427 16.867 0.805 1.00 0.00 WT2 H ATOM 31669 OH2 TIP3 5004 -1.248 -0.906 -1.323 1.00 0.00 WT2 O ATOM 31670 H1 TIP3 5004 2.149 1.089 -4.422 1.00 0.00 WT2 H ATOM 31671 H2 TIP3 5004 1.600 0.857 -3.153 1.00 0.00 WT2 H ATOM 31672 OH2 TIP3 5005 -2.726 -4.471 0.742 1.00 0.00 WT2 O ATOM 31673 H1 TIP3 5005 14.677 16.134 16.323 1.00 0.00 WT2 H ATOM 31674 H2 TIP3 5005 5.108 0.303 -19.335 1.00 0.00 WT2 H ATOM 31675 OH2 TIP3 5019 -2.511 5.233 -0.218 1.00 0.00 WT2 O ATOM 31676 H1 TIP3 5019 -5.724 -2.775 -25.014 1.00 0.00 WT2 H ATOM 31677 H2 TIP3 5019 16.527 3.965 -0.417 1.00 0.00 WT2 H ATOM 31678 OH2 TIP3 5021 -8.204 -2.033 -1.633 1.00 0.00 WT2 O ATOM 31679 H1 TIP3 5021 3.033 6.995 8.359 1.00 0.00 WT2 H ATOM 31680 H2 TIP3 5021 -12.256 10.728 8.051 1.00 0.00 WT2 H ATOM 31681 OH2 TIP3 5023 1.094 -1.472 -1.877 1.00 0.00 WT2 O ATOM 31682 H1 TIP3 5023 3.972 -1.151 -3.451 1.00 0.00 WT2 H ATOM 31683 H2 TIP3 5023 3.294 0.494 -4.408 1.00 0.00 WT2 H ATOM 31684 OH2 TIP3 5025 -2.457 -1.048 -3.023 1.00 0.00 WT2 O ATOM 31685 H1 TIP3 5025 -3.103 4.167 -3.762 1.00 0.00 WT2 H ATOM 31686 H2 TIP3 5025 -0.678 -18.887 -6.677 1.00 0.00 WT2 H ATOM 31687 OH2 TIP3 5040 -2.784 2.059 -5.234 1.00 0.00 WT2 O ATOM 31688 H1 TIP3 5040 -12.346 -11.877 -17.868 1.00 0.00 WT2 H ATOM 31689 H2 TIP3 5040 3.277 -3.941 -8.089 1.00 0.00 WT2 H ATOM 31690 OH2 TIP3 5043 0.426 -0.900 0.146 1.00 0.00 WT2 O ATOM 31691 H1 TIP3 5043 13.449 -15.585 6.256 1.00 0.00 WT2 H ATOM 31692 H2 TIP3 5043 6.978 -2.099 -14.958 1.00 0.00 WT2 H ATOM 31693 OH2 TIP3 5044 -1.425 -1.333 3.328 1.00 0.00 WT2 O ATOM 31694 H1 TIP3 5044 -14.069 -2.637 24.862 1.00 0.00 WT2 H ATOM 31695 H2 TIP3 5044 1.574 0.984 -4.188 1.00 0.00 WT2 H ATOM 31696 OH2 TIP3 5045 -6.143 2.419 -3.391 1.00 0.00 WT2 O ATOM 31697 H1 TIP3 5045 -9.995 16.362 11.917 1.00 0.00 WT2 H ATOM 31698 H2 TIP3 5045 9.852 11.377 -13.570 1.00 0.00 WT2 H ATOM 31699 OH2 TIP3 5049 -2.694 1.307 4.081 1.00 0.00 WT2 O ATOM 31700 H1 TIP3 5049 -5.453 1.623 -10.730 1.00 0.00 WT2 H ATOM 31701 H2 TIP3 5049 -2.075 2.376 13.426 1.00 0.00 WT2 H ATOM 31702 OH2 TIP3 5060 7.261 5.671 0.501 1.00 0.00 WT2 O ATOM 31703 H1 TIP3 5060 -10.836 -13.923 16.741 1.00 0.00 WT2 H ATOM 31704 H2 TIP3 5060 11.485 30.143 3.971 1.00 0.00 WT2 H ATOM 31705 OH2 TIP3 5061 2.779 -5.410 0.391 1.00 0.00 WT2 O ATOM 31706 H1 TIP3 5061 2.036 2.668 -11.484 1.00 0.00 WT2 H ATOM 31707 H2 TIP3 5061 0.140 -0.603 -3.640 1.00 0.00 WT2 H ATOM 31708 OH2 TIP3 5062 -4.263 -1.775 3.941 1.00 0.00 WT2 O ATOM 31709 H1 TIP3 5062 -12.361 2.848 2.496 1.00 0.00 WT2 H ATOM 31710 H2 TIP3 5062 -4.251 -7.437 -4.304 1.00 0.00 WT2 H ATOM 31711 OH2 TIP3 5063 8.783 5.556 -4.236 1.00 0.00 WT2 O ATOM 31712 H1 TIP3 5063 8.056 -3.882 1.741 1.00 0.00 WT2 H ATOM 31713 H2 TIP3 5063 7.559 -18.873 9.776 1.00 0.00 WT2 H ATOM 31714 OH2 TIP3 5064 5.097 -5.870 -0.122 1.00 0.00 WT2 O ATOM 31715 H1 TIP3 5064 -9.922 -13.954 18.370 1.00 0.00 WT2 H ATOM 31716 H2 TIP3 5064 -10.327 -3.377 -18.593 1.00 0.00 WT2 H ATOM 31717 OH2 TIP3 5067 -0.536 4.059 7.110 1.00 0.00 WT2 O ATOM 31718 H1 TIP3 5067 -6.822 -0.518 7.952 1.00 0.00 WT2 H ATOM 31719 H2 TIP3 5067 -5.914 -4.919 13.799 1.00 0.00 WT2 H ATOM 31720 OH2 TIP3 5068 2.699 -0.998 -3.336 1.00 0.00 WT2 O ATOM 31721 H1 TIP3 5068 5.420 -5.590 -8.558 1.00 0.00 WT2 H ATOM 31722 H2 TIP3 5068 -5.708 11.242 6.923 1.00 0.00 WT2 H ATOM 31723 OH2 TIP3 5069 6.953 -3.846 -5.515 1.00 0.00 WT2 O ATOM 31724 H1 TIP3 5069 -11.471 -5.172 -29.132 1.00 0.00 WT2 H ATOM 31725 H2 TIP3 5069 -1.239 -8.275 -12.743 1.00 0.00 WT2 H ATOM 31726 OH2 TIP3 5085 2.699 -3.981 9.251 1.00 0.00 WT2 O ATOM 31727 H1 TIP3 5085 -17.823 -14.628 4.086 1.00 0.00 WT2 H ATOM 31728 H2 TIP3 5085 2.490 -6.941 -0.977 1.00 0.00 WT2 H ATOM 31729 OH2 TIP3 5088 1.756 -0.701 6.636 1.00 0.00 WT2 O ATOM 31730 H1 TIP3 5088 4.413 -1.789 4.759 1.00 0.00 WT2 H ATOM 31731 H2 TIP3 5088 3.099 -7.293 7.622 1.00 0.00 WT2 H ATOM 31732 OH2 TIP3 5090 7.397 -1.779 -0.902 1.00 0.00 WT2 O ATOM 31733 H1 TIP3 5090 7.728 3.040 3.144 1.00 0.00 WT2 H ATOM 31734 H2 TIP3 5090 7.491 -3.026 -1.983 1.00 0.00 WT2 H ATOM 31735 OH2 TIP3 5091 3.377 -0.500 3.532 1.00 0.00 WT2 O ATOM 31736 H1 TIP3 5091 -11.826 -3.651 18.369 1.00 0.00 WT2 H ATOM 31737 H2 TIP3 5091 9.790 -13.669 -5.816 1.00 0.00 WT2 H ATOM 31738 OH2 TIP3 5097 2.751 0.962 -0.667 1.00 0.00 WT2 O ATOM 31739 H1 TIP3 5097 8.265 -0.229 0.255 1.00 0.00 WT2 H ATOM 31740 H2 TIP3 5097 8.921 2.708 4.739 1.00 0.00 WT2 H ATOM 31741 OH2 TIP3 5104 -4.674 -2.144 -2.612 1.00 0.00 WT2 O ATOM 31742 H1 TIP3 5104 7.337 11.886 2.232 1.00 0.00 WT2 H ATOM 31743 H2 TIP3 5104 -3.237 -16.699 -1.866 1.00 0.00 WT2 H ATOM 31744 OH2 TIP3 5106 -6.254 3.960 2.488 1.00 0.00 WT2 O ATOM 31745 H1 TIP3 5106 -0.807 0.858 -17.987 1.00 0.00 WT2 H ATOM 31746 H2 TIP3 5106 9.998 -17.915 0.523 1.00 0.00 WT2 H ATOM 31747 OH2 TIP3 5108 2.014 -1.764 4.124 1.00 0.00 WT2 O ATOM 31748 H1 TIP3 5108 -4.287 -7.989 -0.614 1.00 0.00 WT2 H ATOM 31749 H2 TIP3 5108 1.402 1.841 6.632 1.00 0.00 WT2 H ATOM 31750 OH2 TIP3 5109 -5.851 1.572 -1.500 1.00 0.00 WT2 O ATOM 31751 H1 TIP3 5109 -1.372 1.029 -5.107 1.00 0.00 WT2 H ATOM 31752 H2 TIP3 5109 -6.880 6.619 -2.234 1.00 0.00 WT2 H ATOM 31753 OH2 TIP3 5110 0.444 4.986 -6.589 1.00 0.00 WT2 O ATOM 31754 H1 TIP3 5110 -3.368 -5.662 -25.749 1.00 0.00 WT2 H ATOM 31755 H2 TIP3 5110 4.364 5.611 -5.017 1.00 0.00 WT2 H ATOM 31756 OH2 TIP3 5111 2.025 4.360 0.386 1.00 0.00 WT2 O ATOM 31757 H1 TIP3 5111 3.809 4.414 -4.147 1.00 0.00 WT2 H ATOM 31758 H2 TIP3 5111 2.132 5.321 3.014 1.00 0.00 WT2 H ATOM 31759 OH2 TIP3 5126 2.512 3.174 1.795 1.00 0.00 WT2 O ATOM 31760 H1 TIP3 5126 4.106 8.814 8.595 1.00 0.00 WT2 H ATOM 31761 H2 TIP3 5126 -7.227 5.627 -3.737 1.00 0.00 WT2 H ATOM 31762 OH2 TIP3 5127 -3.797 5.571 -1.765 1.00 0.00 WT2 O ATOM 31763 H1 TIP3 5127 -1.053 6.956 -10.003 1.00 0.00 WT2 H ATOM 31764 H2 TIP3 5127 -6.503 4.355 14.547 1.00 0.00 WT2 H ATOM 31765 OH2 TIP3 5128 -0.821 2.048 -12.864 1.00 0.00 WT2 O ATOM 31766 H1 TIP3 5128 4.416 -0.130 -1.860 1.00 0.00 WT2 H ATOM 31767 H2 TIP3 5128 2.576 -9.338 -12.915 1.00 0.00 WT2 H ATOM 31768 OH2 TIP3 5129 -4.543 -4.958 0.581 1.00 0.00 WT2 O ATOM 31769 H1 TIP3 5129 4.626 -12.405 -21.223 1.00 0.00 WT2 H ATOM 31770 H2 TIP3 5129 1.702 -10.921 -16.986 1.00 0.00 WT2 H ATOM 31771 OH2 TIP3 5130 -0.652 2.999 -1.727 1.00 0.00 WT2 O ATOM 31772 H1 TIP3 5130 1.585 -16.802 1.608 1.00 0.00 WT2 H ATOM 31773 H2 TIP3 5130 9.392 11.112 -16.487 1.00 0.00 WT2 H ATOM 31774 OH2 TIP3 5131 0.599 3.021 8.107 1.00 0.00 WT2 O ATOM 31775 H1 TIP3 5131 -7.436 -13.025 14.070 1.00 0.00 WT2 H ATOM 31776 H2 TIP3 5131 3.009 7.067 10.607 1.00 0.00 WT2 H ATOM 31777 OH2 TIP3 5132 0.087 -1.980 -2.440 1.00 0.00 WT2 O ATOM 31778 H1 TIP3 5132 8.799 4.080 -4.829 1.00 0.00 WT2 H ATOM 31779 H2 TIP3 5132 -9.002 2.791 4.765 1.00 0.00 WT2 H ATOM 31780 OH2 TIP3 5133 1.011 2.119 -8.507 1.00 0.00 WT2 O ATOM 31781 H1 TIP3 5133 -0.017 6.216 -8.548 1.00 0.00 WT2 H ATOM 31782 H2 TIP3 5133 -1.933 1.600 -6.980 1.00 0.00 WT2 H ATOM 31783 OH2 TIP3 5134 8.621 2.612 2.991 1.00 0.00 WT2 O ATOM 31784 H1 TIP3 5134 6.985 7.935 -26.326 1.00 0.00 WT2 H ATOM 31785 H2 TIP3 5134 10.742 8.075 2.019 1.00 0.00 WT2 H ATOM 31786 OH2 TIP3 5146 2.832 3.312 5.082 1.00 0.00 WT2 O ATOM 31787 H1 TIP3 5146 0.615 8.317 2.946 1.00 0.00 WT2 H ATOM 31788 H2 TIP3 5146 1.557 -2.640 7.449 1.00 0.00 WT2 H ATOM 31789 OH2 TIP3 5148 2.316 5.007 2.424 1.00 0.00 WT2 O ATOM 31790 H1 TIP3 5148 4.443 4.093 2.732 1.00 0.00 WT2 H ATOM 31791 H2 TIP3 5148 -4.189 -10.081 17.414 1.00 0.00 WT2 H ATOM 31792 OH2 TIP3 5149 1.932 3.127 -8.288 1.00 0.00 WT2 O ATOM 31793 H1 TIP3 5149 15.510 19.581 -6.262 1.00 0.00 WT2 H ATOM 31794 H2 TIP3 5149 23.022 -2.064 -1.840 1.00 0.00 WT2 H ATOM 31795 OH2 TIP3 5151 -0.463 1.996 1.179 1.00 0.00 WT2 O ATOM 31796 H1 TIP3 5151 9.091 3.787 7.827 1.00 0.00 WT2 H ATOM 31797 H2 TIP3 5151 8.829 -5.801 0.324 1.00 0.00 WT2 H ATOM 31798 OH2 TIP3 5152 3.422 -0.339 -1.498 1.00 0.00 WT2 O ATOM 31799 H1 TIP3 5152 1.526 -11.542 -0.369 1.00 0.00 WT2 H ATOM 31800 H2 TIP3 5152 -0.180 7.269 -6.326 1.00 0.00 WT2 H ATOM 31801 OH2 TIP3 5156 -1.959 -1.396 9.497 1.00 0.00 WT2 O ATOM 31802 H1 TIP3 5156 7.793 -5.845 -26.652 1.00 0.00 WT2 H ATOM 31803 H2 TIP3 5156 -9.016 -5.680 7.967 1.00 0.00 WT2 H ATOM 31804 OH2 TIP3 5162 -6.368 -0.841 0.622 1.00 0.00 WT2 O ATOM 31805 H1 TIP3 5162 6.270 30.793 8.536 1.00 0.00 WT2 H ATOM 31806 H2 TIP3 5162 -8.174 -9.933 -17.098 1.00 0.00 WT2 H ATOM 31807 OH2 TIP3 5164 -0.311 1.160 0.732 1.00 0.00 WT2 O ATOM 31808 H1 TIP3 5164 -20.770 6.430 -5.386 1.00 0.00 WT2 H ATOM 31809 H2 TIP3 5164 -10.685 -5.704 -18.329 1.00 0.00 WT2 H ATOM 31810 OH2 TIP3 5165 0.669 -5.459 -3.550 1.00 0.00 WT2 O ATOM 31811 H1 TIP3 5165 -34.475 3.999 -4.000 1.00 0.00 WT2 H ATOM 31812 H2 TIP3 5165 12.039 -8.872 -2.853 1.00 0.00 WT2 H ATOM 31813 OH2 TIP3 5166 -2.122 6.113 -0.925 1.00 0.00 WT2 O ATOM 31814 H1 TIP3 5166 -20.195 13.151 -3.247 1.00 0.00 WT2 H ATOM 31815 H2 TIP3 5166 16.304 3.564 12.854 1.00 0.00 WT2 H ATOM 31816 OH2 TIP3 5172 1.861 3.195 -3.275 1.00 0.00 WT2 O ATOM 31817 H1 TIP3 5172 6.891 15.335 9.534 1.00 0.00 WT2 H ATOM 31818 H2 TIP3 5172 -18.117 -5.438 -5.425 1.00 0.00 WT2 H ATOM 31819 OH2 TIP3 5173 -5.662 -4.069 -1.671 1.00 0.00 WT2 O ATOM 31820 H1 TIP3 5173 -0.335 -11.001 -11.702 1.00 0.00 WT2 H ATOM 31821 H2 TIP3 5173 -9.330 3.421 10.458 1.00 0.00 WT2 H ATOM 31822 OH2 TIP3 5186 -4.458 2.504 1.411 1.00 0.00 WT2 O ATOM 31823 H1 TIP3 5186 9.021 14.354 1.020 1.00 0.00 WT2 H ATOM 31824 H2 TIP3 5186 -5.289 0.682 -11.017 1.00 0.00 WT2 H ATOM 31825 OH2 TIP3 5189 -0.577 -1.755 0.972 1.00 0.00 WT2 O ATOM 31826 H1 TIP3 5189 -3.171 5.808 9.645 1.00 0.00 WT2 H ATOM 31827 H2 TIP3 5189 22.995 2.109 12.101 1.00 0.00 WT2 H ATOM 31828 OH2 TIP3 5190 -6.095 2.508 -0.857 1.00 0.00 WT2 O ATOM 31829 H1 TIP3 5190 -10.161 -7.891 -14.123 1.00 0.00 WT2 H ATOM 31830 H2 TIP3 5190 -11.445 7.957 -4.160 1.00 0.00 WT2 H ATOM 31831 OH2 TIP3 5191 0.190 1.477 0.948 1.00 0.00 WT2 O ATOM 31832 H1 TIP3 5191 14.667 -1.547 -3.369 1.00 0.00 WT2 H ATOM 31833 H2 TIP3 5191 -0.283 -16.429 2.282 1.00 0.00 WT2 H ATOM 31834 OH2 TIP3 5193 0.728 1.443 8.623 1.00 0.00 WT2 O ATOM 31835 H1 TIP3 5193 -12.584 -4.175 -4.861 1.00 0.00 WT2 H ATOM 31836 H2 TIP3 5193 4.780 3.949 13.442 1.00 0.00 WT2 H ATOM 31837 OH2 TIP3 5194 4.153 7.919 -6.694 1.00 0.00 WT2 O ATOM 31838 H1 TIP3 5194 7.932 12.057 -6.215 1.00 0.00 WT2 H ATOM 31839 H2 TIP3 5194 4.114 11.642 -6.035 1.00 0.00 WT2 H ATOM 31840 OH2 TIP3 5206 -0.062 3.880 -0.956 1.00 0.00 WT2 O ATOM 31841 H1 TIP3 5206 -1.502 13.519 3.957 1.00 0.00 WT2 H ATOM 31842 H2 TIP3 5206 -0.444 -26.510 -8.366 1.00 0.00 WT2 H ATOM 31843 OH2 TIP3 5211 -8.007 -0.674 -3.058 1.00 0.00 WT2 O ATOM 31844 H1 TIP3 5211 1.486 17.269 3.325 1.00 0.00 WT2 H ATOM 31845 H2 TIP3 5211 -6.175 2.539 -2.074 1.00 0.00 WT2 H ATOM 31846 OH2 TIP3 5214 -0.695 5.669 4.233 1.00 0.00 WT2 O ATOM 31847 H1 TIP3 5214 1.264 6.765 -9.353 1.00 0.00 WT2 H ATOM 31848 H2 TIP3 5214 -2.949 0.282 22.272 1.00 0.00 WT2 H ATOM 31849 OH2 TIP3 5216 4.774 -1.924 8.719 1.00 0.00 WT2 O ATOM 31850 H1 TIP3 5216 -18.105 -11.039 -4.857 1.00 0.00 WT2 H ATOM 31851 H2 TIP3 5216 21.262 9.333 -16.517 1.00 0.00 WT2 H ATOM 31852 OH2 TIP3 5230 -1.594 -7.207 5.783 1.00 0.00 WT2 O ATOM 31853 H1 TIP3 5230 -6.355 -8.611 14.930 1.00 0.00 WT2 H ATOM 31854 H2 TIP3 5230 -0.114 -6.923 6.316 1.00 0.00 WT2 H ATOM 31855 OH2 TIP3 5231 0.800 -4.612 2.579 1.00 0.00 WT2 O ATOM 31856 H1 TIP3 5231 9.061 5.845 10.486 1.00 0.00 WT2 H ATOM 31857 H2 TIP3 5231 -7.643 -11.375 -10.575 1.00 0.00 WT2 H ATOM 31858 OH2 TIP3 5232 -0.374 4.474 -2.011 1.00 0.00 WT2 O ATOM 31859 H1 TIP3 5232 4.294 5.414 0.859 1.00 0.00 WT2 H ATOM 31860 H2 TIP3 5232 -6.697 -8.698 2.120 1.00 0.00 WT2 H ATOM 31861 OH2 TIP3 5234 1.253 4.016 2.229 1.00 0.00 WT2 O ATOM 31862 H1 TIP3 5234 -3.236 5.197 13.180 1.00 0.00 WT2 H ATOM 31863 H2 TIP3 5234 -11.550 -9.926 -11.531 1.00 0.00 WT2 H ATOM 31864 OH2 TIP3 5235 -3.411 -4.214 -3.264 1.00 0.00 WT2 O ATOM 31865 H1 TIP3 5235 -16.717 -23.205 -9.223 1.00 0.00 WT2 H ATOM 31866 H2 TIP3 5235 -14.128 -7.220 -1.633 1.00 0.00 WT2 H ATOM 31867 OH2 TIP3 5239 2.201 -0.641 4.257 1.00 0.00 WT2 O ATOM 31868 H1 TIP3 5239 13.523 -0.215 -8.191 1.00 0.00 WT2 H ATOM 31869 H2 TIP3 5239 8.337 7.450 -0.622 1.00 0.00 WT2 H ATOM 31870 OH2 TIP3 5241 1.359 2.759 5.243 1.00 0.00 WT2 O ATOM 31871 H1 TIP3 5241 12.065 13.515 19.266 1.00 0.00 WT2 H ATOM 31872 H2 TIP3 5241 9.138 1.531 -8.033 1.00 0.00 WT2 H ATOM 31873 OH2 TIP3 5251 -1.801 3.156 3.246 1.00 0.00 WT2 O ATOM 31874 H1 TIP3 5251 -2.271 4.404 3.949 1.00 0.00 WT2 H ATOM 31875 H2 TIP3 5251 -1.993 2.991 4.031 1.00 0.00 WT2 H ATOM 31876 OH2 TIP3 5253 -8.506 -0.102 3.123 1.00 0.00 WT2 O ATOM 31877 H1 TIP3 5253 -25.796 3.922 3.818 1.00 0.00 WT2 H ATOM 31878 H2 TIP3 5253 0.284 14.870 4.273 1.00 0.00 WT2 H ATOM 31879 OH2 TIP3 5255 -7.331 -1.172 6.920 1.00 0.00 WT2 O ATOM 31880 H1 TIP3 5255 -20.898 -6.380 -3.655 1.00 0.00 WT2 H ATOM 31881 H2 TIP3 5255 -18.038 4.482 -2.536 1.00 0.00 WT2 H ATOM 31882 OH2 TIP3 5256 -0.907 4.486 -0.141 1.00 0.00 WT2 O ATOM 31883 H1 TIP3 5256 17.530 5.427 3.228 1.00 0.00 WT2 H ATOM 31884 H2 TIP3 5256 3.525 4.499 1.596 1.00 0.00 WT2 H ATOM 31885 OH2 TIP3 5259 -2.272 0.853 0.339 1.00 0.00 WT2 O ATOM 31886 H1 TIP3 5259 24.301 -7.675 -4.726 1.00 0.00 WT2 H ATOM 31887 H2 TIP3 5259 10.362 14.856 -2.425 1.00 0.00 WT2 H ATOM 31888 OH2 TIP3 5260 -2.004 -0.433 0.838 1.00 0.00 WT2 O ATOM 31889 H1 TIP3 5260 1.697 17.059 -21.564 1.00 0.00 WT2 H ATOM 31890 H2 TIP3 5260 11.842 -23.167 -10.024 1.00 0.00 WT2 H ATOM 31891 OH2 TIP3 5271 0.410 -2.366 -3.082 1.00 0.00 WT2 O ATOM 31892 H1 TIP3 5271 -5.896 -32.090 -20.158 1.00 0.00 WT2 H ATOM 31893 H2 TIP3 5271 14.365 15.801 -3.280 1.00 0.00 WT2 H ATOM 31894 OH2 TIP3 5272 3.483 1.329 1.372 1.00 0.00 WT2 O ATOM 31895 H1 TIP3 5272 -14.398 16.575 3.211 1.00 0.00 WT2 H ATOM 31896 H2 TIP3 5272 18.966 10.585 -7.792 1.00 0.00 WT2 H ATOM 31897 OH2 TIP3 5274 -2.981 -5.158 -4.425 1.00 0.00 WT2 O ATOM 31898 H1 TIP3 5274 -1.538 -7.818 9.729 1.00 0.00 WT2 H ATOM 31899 H2 TIP3 5274 -3.037 -2.854 -9.092 1.00 0.00 WT2 H ATOM 31900 OH2 TIP3 5277 -1.974 3.326 4.864 1.00 0.00 WT2 O ATOM 31901 H1 TIP3 5277 -14.068 16.792 -3.688 1.00 0.00 WT2 H ATOM 31902 H2 TIP3 5277 -9.027 -12.583 -3.276 1.00 0.00 WT2 H ATOM 31903 OH2 TIP3 5278 -3.455 2.718 1.894 1.00 0.00 WT2 O ATOM 31904 H1 TIP3 5278 -10.397 8.929 0.100 1.00 0.00 WT2 H ATOM 31905 H2 TIP3 5278 -0.868 -7.744 -4.975 1.00 0.00 WT2 H ATOM 31906 OH2 TIP3 5279 -2.631 -0.879 -2.174 1.00 0.00 WT2 O ATOM 31907 H1 TIP3 5279 -5.655 -7.704 -7.814 1.00 0.00 WT2 H ATOM 31908 H2 TIP3 5279 9.509 19.718 8.202 1.00 0.00 WT2 H ATOM 31909 OH2 TIP3 5293 -1.018 -1.880 4.363 1.00 0.00 WT2 O ATOM 31910 H1 TIP3 5293 -1.212 21.914 -11.233 1.00 0.00 WT2 H ATOM 31911 H2 TIP3 5293 -3.890 0.881 0.134 1.00 0.00 WT2 H ATOM 31912 OH2 TIP3 5294 -0.321 -6.560 0.116 1.00 0.00 WT2 O ATOM 31913 H1 TIP3 5294 -10.229 -24.269 -3.688 1.00 0.00 WT2 H ATOM 31914 H2 TIP3 5294 4.788 15.885 16.641 1.00 0.00 WT2 H ATOM 31915 OH2 TIP3 5295 -0.979 -4.079 -1.253 1.00 0.00 WT2 O ATOM 31916 H1 TIP3 5295 -1.641 5.546 4.244 1.00 0.00 WT2 H ATOM 31917 H2 TIP3 5295 -3.127 -10.441 -3.184 1.00 0.00 WT2 H ATOM 31918 OH2 TIP3 5296 -4.888 1.017 -3.359 1.00 0.00 WT2 O ATOM 31919 H1 TIP3 5296 -7.985 9.292 -2.490 1.00 0.00 WT2 H ATOM 31920 H2 TIP3 5296 -6.103 27.984 2.047 1.00 0.00 WT2 H ATOM 31921 OH2 TIP3 5297 -1.993 3.296 -2.154 1.00 0.00 WT2 O ATOM 31922 H1 TIP3 5297 4.855 5.776 0.306 1.00 0.00 WT2 H ATOM 31923 H2 TIP3 5297 -9.927 10.786 -0.998 1.00 0.00 WT2 H ATOM 31924 OH2 TIP3 5300 5.757 3.752 -4.437 1.00 0.00 WT2 O ATOM 31925 H1 TIP3 5300 4.863 -6.661 13.281 1.00 0.00 WT2 H ATOM 31926 H2 TIP3 5300 -1.752 -2.573 -3.626 1.00 0.00 WT2 H ATOM 31927 OH2 TIP3 5301 6.006 -1.635 -2.925 1.00 0.00 WT2 O ATOM 31928 H1 TIP3 5301 -3.474 -8.741 -2.596 1.00 0.00 WT2 H ATOM 31929 H2 TIP3 5301 0.058 -4.230 -19.297 1.00 0.00 WT2 H ATOM 31930 OH2 TIP3 5304 -2.429 -0.068 -8.916 1.00 0.00 WT2 O ATOM 31931 H1 TIP3 5304 -4.285 0.948 -12.034 1.00 0.00 WT2 H ATOM 31932 H2 TIP3 5304 -2.228 -4.938 -5.243 1.00 0.00 WT2 H ATOM 31933 OH2 TIP3 5315 -1.888 -2.403 1.473 1.00 0.00 WT2 O ATOM 31934 H1 TIP3 5315 -0.640 9.144 15.930 1.00 0.00 WT2 H ATOM 31935 H2 TIP3 5315 -6.410 -10.505 -15.107 1.00 0.00 WT2 H ATOM 31936 OH2 TIP3 5317 0.084 2.873 1.250 1.00 0.00 WT2 O ATOM 31937 H1 TIP3 5317 5.842 -25.095 -2.187 1.00 0.00 WT2 H ATOM 31938 H2 TIP3 5317 19.472 13.294 -16.957 1.00 0.00 WT2 H ATOM 31939 OH2 TIP3 5318 0.174 -3.784 0.320 1.00 0.00 WT2 O ATOM 31940 H1 TIP3 5318 -8.478 9.778 -17.884 1.00 0.00 WT2 H ATOM 31941 H2 TIP3 5318 -25.076 -0.357 -24.748 1.00 0.00 WT2 H ATOM 31942 OH2 TIP3 5319 0.488 3.236 5.329 1.00 0.00 WT2 O ATOM 31943 H1 TIP3 5319 1.487 -12.774 2.294 1.00 0.00 WT2 H ATOM 31944 H2 TIP3 5319 -27.611 -8.025 -3.942 1.00 0.00 WT2 H ATOM 31945 OH2 TIP3 5320 11.372 6.544 -1.092 1.00 0.00 WT2 O ATOM 31946 H1 TIP3 5320 5.985 11.887 9.049 1.00 0.00 WT2 H ATOM 31947 H2 TIP3 5320 17.074 -3.139 -10.314 1.00 0.00 WT2 H ATOM 31948 OH2 TIP3 5335 -3.343 2.656 0.914 1.00 0.00 WT2 O ATOM 31949 H1 TIP3 5335 3.114 -1.823 30.500 1.00 0.00 WT2 H ATOM 31950 H2 TIP3 5335 20.588 14.453 -14.950 1.00 0.00 WT2 H ATOM 31951 OH2 TIP3 5336 -2.741 1.522 1.110 1.00 0.00 WT2 O ATOM 31952 H1 TIP3 5336 3.034 -16.820 -0.967 1.00 0.00 WT2 H ATOM 31953 H2 TIP3 5336 5.490 36.085 5.368 1.00 0.00 WT2 H ATOM 31954 OH2 TIP3 5339 -5.742 -4.788 0.077 1.00 0.00 WT2 O ATOM 31955 H1 TIP3 5339 -1.003 -4.254 -20.045 1.00 0.00 WT2 H ATOM 31956 H2 TIP3 5339 -9.430 0.968 -2.818 1.00 0.00 WT2 H ATOM 31957 OH2 TIP3 5340 -7.091 -6.921 1.868 1.00 0.00 WT2 O ATOM 31958 H1 TIP3 5340 -18.091 8.987 1.495 1.00 0.00 WT2 H ATOM 31959 H2 TIP3 5340 4.837 11.357 -4.536 1.00 0.00 WT2 H ATOM 31960 OH2 TIP3 5341 -6.086 -1.291 3.384 1.00 0.00 WT2 O ATOM 31961 H1 TIP3 5341 -11.355 9.804 -12.559 1.00 0.00 WT2 H ATOM 31962 H2 TIP3 5341 -5.196 13.822 11.546 1.00 0.00 WT2 H ATOM 31963 OH2 TIP3 5355 -2.870 -0.940 0.379 1.00 0.00 WT2 O ATOM 31964 H1 TIP3 5355 -2.277 -7.665 8.863 1.00 0.00 WT2 H ATOM 31965 H2 TIP3 5355 -3.291 5.163 -2.258 1.00 0.00 WT2 H ATOM 31966 OH2 TIP3 5356 6.788 0.126 4.307 1.00 0.00 WT2 O ATOM 31967 H1 TIP3 5356 6.056 4.795 -0.825 1.00 0.00 WT2 H ATOM 31968 H2 TIP3 5356 3.331 6.283 1.401 1.00 0.00 WT2 H ATOM 31969 OH2 TIP3 5357 -3.458 10.943 1.540 1.00 0.00 WT2 O ATOM 31970 H1 TIP3 5357 22.402 14.799 0.664 1.00 0.00 WT2 H ATOM 31971 H2 TIP3 5357 -11.558 -12.310 10.858 1.00 0.00 WT2 H ATOM 31972 OH2 TIP3 5358 1.213 -5.960 -3.581 1.00 0.00 WT2 O ATOM 31973 H1 TIP3 5358 -14.818 -23.237 12.803 1.00 0.00 WT2 H ATOM 31974 H2 TIP3 5358 9.020 2.513 -10.249 1.00 0.00 WT2 H ATOM 31975 OH2 TIP3 5359 -6.584 6.443 -3.650 1.00 0.00 WT2 O ATOM 31976 H1 TIP3 5359 -9.266 12.714 3.515 1.00 0.00 WT2 H ATOM 31977 H2 TIP3 5359 -0.425 -6.579 13.910 1.00 0.00 WT2 H ATOM 31978 OH2 TIP3 5360 -4.096 1.562 -5.545 1.00 0.00 WT2 O ATOM 31979 H1 TIP3 5360 -4.659 1.051 -17.471 1.00 0.00 WT2 H ATOM 31980 H2 TIP3 5360 -6.953 -2.977 -5.765 1.00 0.00 WT2 H ATOM 31981 OH2 TIP3 5364 -4.351 0.298 3.243 1.00 0.00 WT2 O ATOM 31982 H1 TIP3 5364 3.132 -4.770 6.958 1.00 0.00 WT2 H ATOM 31983 H2 TIP3 5364 -6.755 4.343 4.761 1.00 0.00 WT2 H ATOM 31984 OH2 TIP3 5375 0.574 1.652 2.460 1.00 0.00 WT2 O ATOM 31985 H1 TIP3 5375 -0.940 6.218 6.045 1.00 0.00 WT2 H ATOM 31986 H2 TIP3 5375 -9.820 -0.092 -7.133 1.00 0.00 WT2 H ATOM 31987 OH2 TIP3 5377 4.749 -4.304 -0.518 1.00 0.00 WT2 O ATOM 31988 H1 TIP3 5377 -0.546 -12.518 -6.987 1.00 0.00 WT2 H ATOM 31989 H2 TIP3 5377 14.793 -10.535 8.090 1.00 0.00 WT2 H ATOM 31990 OH2 TIP3 5378 2.990 -0.013 -6.616 1.00 0.00 WT2 O ATOM 31991 H1 TIP3 5378 2.406 5.420 8.223 1.00 0.00 WT2 H ATOM 31992 H2 TIP3 5378 3.189 5.244 -24.060 1.00 0.00 WT2 H ATOM 31993 OH2 TIP3 5379 3.051 4.305 -0.056 1.00 0.00 WT2 O ATOM 31994 H1 TIP3 5379 -12.522 35.929 -3.271 1.00 0.00 WT2 H ATOM 31995 H2 TIP3 5379 -3.778 12.630 11.080 1.00 0.00 WT2 H ATOM 31996 OH2 TIP3 5380 2.772 4.074 2.903 1.00 0.00 WT2 O ATOM 31997 H1 TIP3 5380 -1.937 1.380 6.520 1.00 0.00 WT2 H ATOM 31998 H2 TIP3 5380 16.125 30.288 -3.358 1.00 0.00 WT2 H ATOM 31999 OH2 TIP3 5381 7.507 0.155 3.139 1.00 0.00 WT2 O ATOM 32000 H1 TIP3 5381 18.306 12.731 -8.332 1.00 0.00 WT2 H ATOM 32001 H2 TIP3 5381 18.200 -9.043 -1.213 1.00 0.00 WT2 H ATOM 32002 OH2 TIP3 5382 -2.017 -1.707 -1.449 1.00 0.00 WT2 O ATOM 32003 H1 TIP3 5382 -11.065 -2.776 6.792 1.00 0.00 WT2 H ATOM 32004 H2 TIP3 5382 -19.475 -0.959 -16.676 1.00 0.00 WT2 H ATOM 32005 OH2 TIP3 5383 -0.243 -5.315 0.453 1.00 0.00 WT2 O ATOM 32006 H1 TIP3 5383 24.393 12.531 -1.160 1.00 0.00 WT2 H ATOM 32007 H2 TIP3 5383 -1.443 -7.593 34.496 1.00 0.00 WT2 H ATOM 32008 OH2 TIP3 5384 7.063 -5.243 -6.176 1.00 0.00 WT2 O ATOM 32009 H1 TIP3 5384 15.480 -7.987 -4.630 1.00 0.00 WT2 H ATOM 32010 H2 TIP3 5384 -7.196 -10.230 -16.959 1.00 0.00 WT2 H ATOM 32011 OH2 TIP3 5385 5.187 -1.716 -3.659 1.00 0.00 WT2 O ATOM 32012 H1 TIP3 5385 -1.951 4.493 -11.231 1.00 0.00 WT2 H ATOM 32013 H2 TIP3 5385 5.003 -10.715 -8.462 1.00 0.00 WT2 H ATOM 32014 OH2 TIP3 5393 5.720 6.222 -7.499 1.00 0.00 WT2 O ATOM 32015 H1 TIP3 5393 2.726 1.391 11.480 1.00 0.00 WT2 H ATOM 32016 H2 TIP3 5393 3.367 3.586 6.558 1.00 0.00 WT2 H ATOM 32017 OH2 TIP3 5396 -4.027 -4.337 -2.554 1.00 0.00 WT2 O ATOM 32018 H1 TIP3 5396 2.354 -6.230 -9.268 1.00 0.00 WT2 H ATOM 32019 H2 TIP3 5396 -10.903 4.465 -4.797 1.00 0.00 WT2 H ATOM 32020 OH2 TIP3 5399 -4.462 1.088 -3.682 1.00 0.00 WT2 O ATOM 32021 H1 TIP3 5399 -9.094 33.444 3.264 1.00 0.00 WT2 H ATOM 32022 H2 TIP3 5399 4.274 -3.187 11.836 1.00 0.00 WT2 H ATOM 32023 OH2 TIP3 5400 1.082 8.090 -4.214 1.00 0.00 WT2 O ATOM 32024 H1 TIP3 5400 -12.459 3.177 -16.129 1.00 0.00 WT2 H ATOM 32025 H2 TIP3 5400 19.755 0.322 -0.480 1.00 0.00 WT2 H ATOM 32026 OH2 TIP3 5402 -1.457 -1.512 3.493 1.00 0.00 WT2 O ATOM 32027 H1 TIP3 5402 19.161 27.715 -3.826 1.00 0.00 WT2 H ATOM 32028 H2 TIP3 5402 12.471 -17.793 0.922 1.00 0.00 WT2 H ATOM 32029 OH2 TIP3 5404 -0.584 2.850 -6.624 1.00 0.00 WT2 O ATOM 32030 H1 TIP3 5404 12.688 5.941 3.166 1.00 0.00 WT2 H ATOM 32031 H2 TIP3 5404 -3.890 7.877 -17.251 1.00 0.00 WT2 H ATOM 32032 OH2 TIP3 5418 -1.660 4.553 1.187 1.00 0.00 WT2 O ATOM 32033 H1 TIP3 5418 -14.750 3.833 -5.669 1.00 0.00 WT2 H ATOM 32034 H2 TIP3 5418 9.207 4.926 -10.232 1.00 0.00 WT2 H ATOM 32035 OH2 TIP3 5419 11.285 0.093 -1.135 1.00 0.00 WT2 O ATOM 32036 H1 TIP3 5419 19.940 -13.240 2.763 1.00 0.00 WT2 H ATOM 32037 H2 TIP3 5419 23.724 11.752 -9.143 1.00 0.00 WT2 H ATOM 32038 OH2 TIP3 5420 -7.015 -4.688 0.972 1.00 0.00 WT2 O ATOM 32039 H1 TIP3 5420 -5.456 -25.029 11.814 1.00 0.00 WT2 H ATOM 32040 H2 TIP3 5420 -23.509 6.987 9.969 1.00 0.00 WT2 H ATOM 32041 OH2 TIP3 5421 -1.133 -2.485 2.890 1.00 0.00 WT2 O ATOM 32042 H1 TIP3 5421 7.444 17.514 10.872 1.00 0.00 WT2 H ATOM 32043 H2 TIP3 5421 -1.662 11.175 14.267 1.00 0.00 WT2 H ATOM 32044 OH2 TIP3 5422 0.711 -2.694 -0.547 1.00 0.00 WT2 O ATOM 32045 H1 TIP3 5422 -6.349 -4.443 -9.609 1.00 0.00 WT2 H ATOM 32046 H2 TIP3 5422 8.046 1.068 15.764 1.00 0.00 WT2 H ATOM 32047 OH2 TIP3 5426 1.245 3.412 -2.644 1.00 0.00 WT2 O ATOM 32048 H1 TIP3 5426 -0.335 12.959 -4.121 1.00 0.00 WT2 H ATOM 32049 H2 TIP3 5426 10.246 14.731 -21.443 1.00 0.00 WT2 H ATOM 32050 OH2 TIP3 5430 -0.282 -0.647 -4.230 1.00 0.00 WT2 O ATOM 32051 H1 TIP3 5430 -16.451 -11.146 -7.480 1.00 0.00 WT2 H ATOM 32052 H2 TIP3 5430 18.978 12.241 0.461 1.00 0.00 WT2 H ATOM 32053 OH2 TIP3 5434 4.986 2.610 2.096 1.00 0.00 WT2 O ATOM 32054 H1 TIP3 5434 13.307 -4.722 -10.737 1.00 0.00 WT2 H ATOM 32055 H2 TIP3 5434 -6.124 10.246 11.903 1.00 0.00 WT2 H ATOM 32056 OH2 TIP3 5440 -5.116 -1.184 1.947 1.00 0.00 WT2 O ATOM 32057 H1 TIP3 5440 -4.041 -1.184 2.991 1.00 0.00 WT2 H ATOM 32058 H2 TIP3 5440 -12.003 -14.010 9.216 1.00 0.00 WT2 H ATOM 32059 OH2 TIP3 5442 -0.976 1.602 0.183 1.00 0.00 WT2 O ATOM 32060 H1 TIP3 5442 2.779 -1.445 -4.299 1.00 0.00 WT2 H ATOM 32061 H2 TIP3 5442 -11.379 5.289 8.778 1.00 0.00 WT2 H ATOM 32062 OH2 TIP3 5443 3.197 -0.474 4.601 1.00 0.00 WT2 O ATOM 32063 H1 TIP3 5443 1.360 11.546 -12.969 1.00 0.00 WT2 H ATOM 32064 H2 TIP3 5443 15.855 3.858 12.443 1.00 0.00 WT2 H ATOM 32065 OH2 TIP3 5444 -2.857 4.727 -5.767 1.00 0.00 WT2 O ATOM 32066 H1 TIP3 5444 9.955 -11.036 2.132 1.00 0.00 WT2 H ATOM 32067 H2 TIP3 5444 -2.042 0.936 -8.747 1.00 0.00 WT2 H ATOM 32068 OH2 TIP3 5445 -5.089 4.523 -0.026 1.00 0.00 WT2 O ATOM 32069 H1 TIP3 5445 -4.723 3.879 -3.669 1.00 0.00 WT2 H ATOM 32070 H2 TIP3 5445 2.707 -9.661 -7.169 1.00 0.00 WT2 H ATOM 32071 OH2 TIP3 5446 3.351 3.244 2.337 1.00 0.00 WT2 O ATOM 32072 H1 TIP3 5446 21.439 7.836 -10.500 1.00 0.00 WT2 H ATOM 32073 H2 TIP3 5446 7.342 -24.468 -1.453 1.00 0.00 WT2 H ATOM 32074 OH2 TIP3 5460 -2.962 2.639 4.146 1.00 0.00 WT2 O ATOM 32075 H1 TIP3 5460 -6.706 5.707 0.128 1.00 0.00 WT2 H ATOM 32076 H2 TIP3 5460 -14.464 1.551 -6.975 1.00 0.00 WT2 H ATOM 32077 OH2 TIP3 5461 2.905 5.164 0.856 1.00 0.00 WT2 O ATOM 32078 H1 TIP3 5461 11.371 0.987 10.634 1.00 0.00 WT2 H ATOM 32079 H2 TIP3 5461 -2.758 0.067 -23.001 1.00 0.00 WT2 H ATOM 32080 OH2 TIP3 5462 -2.977 5.815 -4.064 1.00 0.00 WT2 O ATOM 32081 H1 TIP3 5462 25.522 2.994 -4.131 1.00 0.00 WT2 H ATOM 32082 H2 TIP3 5462 10.517 15.913 12.461 1.00 0.00 WT2 H ATOM 32083 OH2 TIP3 5463 -0.548 2.957 2.372 1.00 0.00 WT2 O ATOM 32084 H1 TIP3 5463 4.359 7.686 6.752 1.00 0.00 WT2 H ATOM 32085 H2 TIP3 5463 3.154 -3.417 -0.457 1.00 0.00 WT2 H ATOM 32086 OH2 TIP3 5464 4.666 -11.679 5.142 1.00 0.00 WT2 O ATOM 32087 H1 TIP3 5464 16.423 -39.076 -6.931 1.00 0.00 WT2 H ATOM 32088 H2 TIP3 5464 5.325 -13.204 5.204 1.00 0.00 WT2 H ATOM 32089 OH2 TIP3 5466 -3.627 0.500 -0.732 1.00 0.00 WT2 O ATOM 32090 H1 TIP3 5466 -3.335 3.235 -3.441 1.00 0.00 WT2 H ATOM 32091 H2 TIP3 5466 -0.987 0.744 2.099 1.00 0.00 WT2 H ATOM 32092 OH2 TIP3 5481 3.144 -0.699 1.784 1.00 0.00 WT2 O ATOM 32093 H1 TIP3 5481 2.113 -0.431 3.415 1.00 0.00 WT2 H ATOM 32094 H2 TIP3 5481 -2.500 -1.546 -8.507 1.00 0.00 WT2 H ATOM 32095 OH2 TIP3 5482 -5.214 -0.094 -8.446 1.00 0.00 WT2 O ATOM 32096 H1 TIP3 5482 2.513 -8.891 -4.079 1.00 0.00 WT2 H ATOM 32097 H2 TIP3 5482 7.267 18.666 -1.531 1.00 0.00 WT2 H ATOM 32098 OH2 TIP3 5483 0.569 -0.875 5.947 1.00 0.00 WT2 O ATOM 32099 H1 TIP3 5483 -11.485 0.956 -0.773 1.00 0.00 WT2 H ATOM 32100 H2 TIP3 5483 21.956 -5.833 12.447 1.00 0.00 WT2 H ATOM 32101 OH2 TIP3 5484 1.624 2.337 -0.448 1.00 0.00 WT2 O ATOM 32102 H1 TIP3 5484 -10.344 25.091 9.444 1.00 0.00 WT2 H ATOM 32103 H2 TIP3 5484 -14.578 -7.788 -4.577 1.00 0.00 WT2 H ATOM 32104 OH2 TIP3 5486 -0.310 -0.151 -4.491 1.00 0.00 WT2 O ATOM 32105 H1 TIP3 5486 17.561 -5.255 14.631 1.00 0.00 WT2 H ATOM 32106 H2 TIP3 5486 -21.593 0.984 5.894 1.00 0.00 WT2 H ATOM 32107 OH2 TIP3 5487 -2.125 1.585 -7.930 1.00 0.00 WT2 O ATOM 32108 H1 TIP3 5487 0.714 1.433 -9.053 1.00 0.00 WT2 H ATOM 32109 H2 TIP3 5487 6.169 22.686 -14.379 1.00 0.00 WT2 H ATOM 32110 OH2 TIP3 5488 -1.141 -1.260 -0.131 1.00 0.00 WT2 O ATOM 32111 H1 TIP3 5488 6.732 -10.015 2.625 1.00 0.00 WT2 H ATOM 32112 H2 TIP3 5488 5.786 13.504 10.747 1.00 0.00 WT2 H ATOM 32113 OH2 TIP3 5504 0.609 2.272 4.131 1.00 0.00 WT2 O ATOM 32114 H1 TIP3 5504 3.850 17.404 4.949 1.00 0.00 WT2 H ATOM 32115 H2 TIP3 5504 2.915 -4.656 16.362 1.00 0.00 WT2 H ATOM 32116 OH2 TIP3 5505 2.841 0.932 0.725 1.00 0.00 WT2 O ATOM 32117 H1 TIP3 5505 3.718 1.296 -6.742 1.00 0.00 WT2 H ATOM 32118 H2 TIP3 5505 -6.046 15.327 -15.772 1.00 0.00 WT2 H ATOM 32119 OH2 TIP3 5506 0.299 -2.754 2.696 1.00 0.00 WT2 O ATOM 32120 H1 TIP3 5506 3.068 -11.760 3.387 1.00 0.00 WT2 H ATOM 32121 H2 TIP3 5506 2.618 -16.375 2.090 1.00 0.00 WT2 H ATOM 32122 OH2 TIP3 5507 -1.769 -1.019 -1.374 1.00 0.00 WT2 O ATOM 32123 H1 TIP3 5507 -10.817 7.619 -0.786 1.00 0.00 WT2 H ATOM 32124 H2 TIP3 5507 -7.247 -8.793 1.782 1.00 0.00 WT2 H ATOM 32125 OH2 TIP3 5510 -0.869 -0.404 -0.110 1.00 0.00 WT2 O ATOM 32126 H1 TIP3 5510 -32.476 6.550 -8.331 1.00 0.00 WT2 H ATOM 32127 H2 TIP3 5510 5.813 -1.891 0.113 1.00 0.00 WT2 H ATOM 32128 OH2 TIP3 5522 2.224 6.982 -3.045 1.00 0.00 WT2 O ATOM 32129 H1 TIP3 5522 -3.901 -7.533 -6.741 1.00 0.00 WT2 H ATOM 32130 H2 TIP3 5522 8.750 23.657 -5.676 1.00 0.00 WT2 H ATOM 32131 OH2 TIP3 5526 5.017 2.043 6.347 1.00 0.00 WT2 O ATOM 32132 H1 TIP3 5526 15.686 -21.055 6.629 1.00 0.00 WT2 H ATOM 32133 H2 TIP3 5526 20.648 -31.813 8.026 1.00 0.00 WT2 H ATOM 32134 OH2 TIP3 5527 6.209 -0.566 2.587 1.00 0.00 WT2 O ATOM 32135 H1 TIP3 5527 -1.373 17.814 22.148 1.00 0.00 WT2 H ATOM 32136 H2 TIP3 5527 22.346 -5.977 5.995 1.00 0.00 WT2 H ATOM 32137 OH2 TIP3 5528 -0.494 3.224 -10.263 1.00 0.00 WT2 O ATOM 32138 H1 TIP3 5528 -1.729 1.650 7.304 1.00 0.00 WT2 H ATOM 32139 H2 TIP3 5528 -12.135 -4.010 16.465 1.00 0.00 WT2 H ATOM 32140 OH2 TIP3 5530 0.053 -3.317 -0.942 1.00 0.00 WT2 O ATOM 32141 H1 TIP3 5530 2.136 -13.694 0.630 1.00 0.00 WT2 H ATOM 32142 H2 TIP3 5530 13.737 3.429 -3.108 1.00 0.00 WT2 H ATOM 32143 OH2 TIP3 5545 0.730 4.725 0.617 1.00 0.00 WT2 O ATOM 32144 H1 TIP3 5545 4.716 11.803 17.121 1.00 0.00 WT2 H ATOM 32145 H2 TIP3 5545 5.012 8.357 12.072 1.00 0.00 WT2 H ATOM 32146 OH2 TIP3 5547 5.274 -7.939 -4.524 1.00 0.00 WT2 O ATOM 32147 H1 TIP3 5547 5.679 -41.993 2.682 1.00 0.00 WT2 H ATOM 32148 H2 TIP3 5547 12.315 -6.200 -17.503 1.00 0.00 WT2 H ATOM 32149 OH2 TIP3 5548 1.187 -2.392 -2.111 1.00 0.00 WT2 O ATOM 32150 H1 TIP3 5548 1.254 11.188 4.401 1.00 0.00 WT2 H ATOM 32151 H2 TIP3 5548 -3.150 -2.213 -15.087 1.00 0.00 WT2 H ATOM 32152 OH2 TIP3 5549 -2.199 0.381 -2.122 1.00 0.00 WT2 O ATOM 32153 H1 TIP3 5549 -21.377 4.174 -10.176 1.00 0.00 WT2 H ATOM 32154 H2 TIP3 5549 10.225 -10.575 2.574 1.00 0.00 WT2 H ATOM 32155 OH2 TIP3 5550 -2.739 4.389 0.355 1.00 0.00 WT2 O ATOM 32156 H1 TIP3 5550 -11.115 -11.038 14.439 1.00 0.00 WT2 H ATOM 32157 H2 TIP3 5550 5.547 17.250 7.228 1.00 0.00 WT2 H ATOM 32158 OH2 TIP3 5551 -3.188 -6.048 -1.972 1.00 0.00 WT2 O ATOM 32159 H1 TIP3 5551 -11.921 -11.747 -7.849 1.00 0.00 WT2 H ATOM 32160 H2 TIP3 5551 -5.263 -8.003 -8.813 1.00 0.00 WT2 H ATOM 32161 OH2 TIP3 5552 -2.985 3.105 4.963 1.00 0.00 WT2 O ATOM 32162 H1 TIP3 5552 9.406 29.687 -20.827 1.00 0.00 WT2 H ATOM 32163 H2 TIP3 5552 -17.515 -13.558 17.294 1.00 0.00 WT2 H ATOM 32164 OH2 TIP3 5553 -0.280 4.426 5.982 1.00 0.00 WT2 O ATOM 32165 H1 TIP3 5553 -9.273 2.934 7.072 1.00 0.00 WT2 H ATOM 32166 H2 TIP3 5553 -5.643 -7.258 24.790 1.00 0.00 WT2 H ATOM 32167 OH2 TIP3 5564 -1.410 1.097 -1.385 1.00 0.00 WT2 O ATOM 32168 H1 TIP3 5564 -23.985 -14.196 -10.793 1.00 0.00 WT2 H ATOM 32169 H2 TIP3 5564 33.761 -3.773 9.636 1.00 0.00 WT2 H ATOM 32170 OH2 TIP3 5566 -3.771 5.212 0.328 1.00 0.00 WT2 O ATOM 32171 H1 TIP3 5566 15.764 -2.924 -16.591 1.00 0.00 WT2 H ATOM 32172 H2 TIP3 5566 -22.559 8.738 -9.433 1.00 0.00 WT2 H ATOM 32173 OH2 TIP3 5567 -0.054 3.409 -4.789 1.00 0.00 WT2 O ATOM 32174 H1 TIP3 5567 -10.240 48.443 -7.596 1.00 0.00 WT2 H ATOM 32175 H2 TIP3 5567 -30.020 -12.079 27.215 1.00 0.00 WT2 H ATOM 32176 OH2 TIP3 5568 1.243 -1.792 0.666 1.00 0.00 WT2 O ATOM 32177 H1 TIP3 5568 0.869 0.958 4.480 1.00 0.00 WT2 H ATOM 32178 H2 TIP3 5568 0.469 3.944 9.990 1.00 0.00 WT2 H ATOM 32179 OH2 TIP3 5569 3.215 3.574 4.262 1.00 0.00 WT2 O ATOM 32180 H1 TIP3 5569 2.467 18.858 10.813 1.00 0.00 WT2 H ATOM 32181 H2 TIP3 5569 18.552 -11.290 -0.596 1.00 0.00 WT2 H ATOM 32182 OH2 TIP3 5571 1.872 2.423 -2.793 1.00 0.00 WT2 O ATOM 32183 H1 TIP3 5571 4.479 1.829 -27.953 1.00 0.00 WT2 H ATOM 32184 H2 TIP3 5571 -9.663 -12.620 9.996 1.00 0.00 WT2 H ATOM 32185 OH2 TIP3 5572 -5.470 5.891 -2.707 1.00 0.00 WT2 O ATOM 32186 H1 TIP3 5572 -12.736 7.946 7.385 1.00 0.00 WT2 H ATOM 32187 H2 TIP3 5572 8.998 -6.490 -12.442 1.00 0.00 WT2 H ATOM 32188 OH2 TIP3 5585 -3.442 0.960 -2.538 1.00 0.00 WT2 O ATOM 32189 H1 TIP3 5585 -7.067 5.033 12.746 1.00 0.00 WT2 H ATOM 32190 H2 TIP3 5585 -10.324 -11.482 -9.244 1.00 0.00 WT2 H ATOM 32191 OH2 TIP3 5590 -1.191 12.005 -0.158 1.00 0.00 WT2 O ATOM 32192 H1 TIP3 5590 -7.810 8.902 0.016 1.00 0.00 WT2 H ATOM 32193 H2 TIP3 5590 -3.346 9.339 -3.329 1.00 0.00 WT2 H ATOM 32194 OH2 TIP3 5591 -0.425 0.110 -0.173 1.00 0.00 WT2 O ATOM 32195 H1 TIP3 5591 0.831 -8.649 14.694 1.00 0.00 WT2 H ATOM 32196 H2 TIP3 5591 -3.235 -5.928 6.273 1.00 0.00 WT2 H ATOM 32197 OH2 TIP3 5592 6.875 -0.811 3.539 1.00 0.00 WT2 O ATOM 32198 H1 TIP3 5592 6.105 -2.348 8.128 1.00 0.00 WT2 H ATOM 32199 H2 TIP3 5592 6.041 -2.165 7.653 1.00 0.00 WT2 H ATOM 32200 OH2 TIP3 5595 0.321 -3.434 0.642 1.00 0.00 WT2 O ATOM 32201 H1 TIP3 5595 -13.187 -5.367 -12.896 1.00 0.00 WT2 H ATOM 32202 H2 TIP3 5595 9.888 -0.243 1.835 1.00 0.00 WT2 H ATOM 32203 OH2 TIP3 5596 -6.448 -0.198 0.019 1.00 0.00 WT2 O ATOM 32204 H1 TIP3 5596 15.827 3.615 -7.961 1.00 0.00 WT2 H ATOM 32205 H2 TIP3 5596 -29.643 5.097 0.920 1.00 0.00 WT2 H ATOM 32206 OH2 TIP3 5606 -2.596 0.705 -5.751 1.00 0.00 WT2 O ATOM 32207 H1 TIP3 5606 -10.342 -9.126 2.411 1.00 0.00 WT2 H ATOM 32208 H2 TIP3 5606 -13.059 -25.154 18.290 1.00 0.00 WT2 H ATOM 32209 OH2 TIP3 5607 -3.041 -4.696 -0.281 1.00 0.00 WT2 O ATOM 32210 H1 TIP3 5607 10.354 20.547 1.266 1.00 0.00 WT2 H ATOM 32211 H2 TIP3 5607 10.305 -9.429 -5.310 1.00 0.00 WT2 H ATOM 32212 OH2 TIP3 5609 -2.912 4.302 -2.251 1.00 0.00 WT2 O ATOM 32213 H1 TIP3 5609 -0.904 7.248 0.389 1.00 0.00 WT2 H ATOM 32214 H2 TIP3 5609 -6.493 2.831 -2.721 1.00 0.00 WT2 H ATOM 32215 OH2 TIP3 5610 6.555 2.312 3.168 1.00 0.00 WT2 O ATOM 32216 H1 TIP3 5610 3.478 22.306 21.526 1.00 0.00 WT2 H ATOM 32217 H2 TIP3 5610 21.563 10.468 18.770 1.00 0.00 WT2 H ATOM 32218 OH2 TIP3 5611 -0.084 0.045 3.881 1.00 0.00 WT2 O ATOM 32219 H1 TIP3 5611 -1.750 -0.474 -15.847 1.00 0.00 WT2 H ATOM 32220 H2 TIP3 5611 1.748 -19.655 16.300 1.00 0.00 WT2 H ATOM 32221 OH2 TIP3 5612 4.007 2.393 -3.747 1.00 0.00 WT2 O ATOM 32222 H1 TIP3 5612 5.186 1.818 -3.755 1.00 0.00 WT2 H ATOM 32223 H2 TIP3 5612 -4.665 3.312 2.066 1.00 0.00 WT2 H ATOM 32224 OH2 TIP3 5614 4.998 4.193 -2.751 1.00 0.00 WT2 O ATOM 32225 H1 TIP3 5614 -19.168 22.818 -33.840 1.00 0.00 WT2 H ATOM 32226 H2 TIP3 5614 0.162 0.014 8.355 1.00 0.00 WT2 H ATOM 32227 OH2 TIP3 5615 -2.010 -3.094 4.660 1.00 0.00 WT2 O ATOM 32228 H1 TIP3 5615 -1.994 2.831 23.382 1.00 0.00 WT2 H ATOM 32229 H2 TIP3 5615 15.814 6.496 12.479 1.00 0.00 WT2 H ATOM 32230 OH2 TIP3 5616 -0.773 -3.848 0.911 1.00 0.00 WT2 O ATOM 32231 H1 TIP3 5616 -3.446 3.240 -14.065 1.00 0.00 WT2 H ATOM 32232 H2 TIP3 5616 8.473 11.650 -29.525 1.00 0.00 WT2 H ATOM 32233 OH2 TIP3 5618 0.248 4.146 0.315 1.00 0.00 WT2 O ATOM 32234 H1 TIP3 5618 3.962 10.838 4.743 1.00 0.00 WT2 H ATOM 32235 H2 TIP3 5618 7.872 -2.097 3.390 1.00 0.00 WT2 H ATOM 32236 OH2 TIP3 5626 6.896 2.551 1.327 1.00 0.00 WT2 O ATOM 32237 H1 TIP3 5626 -17.557 -8.650 17.135 1.00 0.00 WT2 H ATOM 32238 H2 TIP3 5626 15.444 -2.347 -0.523 1.00 0.00 WT2 H ATOM 32239 OH2 TIP3 5630 -2.911 6.264 -0.109 1.00 0.00 WT2 O ATOM 32240 H1 TIP3 5630 -6.035 12.565 -5.746 1.00 0.00 WT2 H ATOM 32241 H2 TIP3 5630 1.217 -0.441 -6.633 1.00 0.00 WT2 H ATOM 32242 OH2 TIP3 5631 -3.577 -2.671 0.723 1.00 0.00 WT2 O ATOM 32243 H1 TIP3 5631 17.937 -23.530 -5.782 1.00 0.00 WT2 H ATOM 32244 H2 TIP3 5631 9.808 -1.439 13.342 1.00 0.00 WT2 H ATOM 32245 OH2 TIP3 5633 -0.626 6.936 2.093 1.00 0.00 WT2 O ATOM 32246 H1 TIP3 5633 5.182 -1.710 18.249 1.00 0.00 WT2 H ATOM 32247 H2 TIP3 5633 -1.931 10.518 -8.021 1.00 0.00 WT2 H ATOM 32248 OH2 TIP3 5635 2.704 -5.000 6.064 1.00 0.00 WT2 O ATOM 32249 H1 TIP3 5635 -10.707 -28.582 -27.867 1.00 0.00 WT2 H ATOM 32250 H2 TIP3 5635 3.661 2.319 13.576 1.00 0.00 WT2 H ATOM 32251 OH2 TIP3 5647 -11.021 -5.666 -1.999 1.00 0.00 WT2 O ATOM 32252 H1 TIP3 5647 -7.840 17.027 -0.850 1.00 0.00 WT2 H ATOM 32253 H2 TIP3 5647 -10.202 -18.464 8.309 1.00 0.00 WT2 H ATOM 32254 OH2 TIP3 5650 -1.789 -2.737 -0.814 1.00 0.00 WT2 O ATOM 32255 H1 TIP3 5650 23.127 -8.531 -6.623 1.00 0.00 WT2 H ATOM 32256 H2 TIP3 5650 14.408 0.183 -11.759 1.00 0.00 WT2 H ATOM 32257 OH2 TIP3 5651 2.371 8.901 -0.599 1.00 0.00 WT2 O ATOM 32258 H1 TIP3 5651 17.226 13.851 -10.235 1.00 0.00 WT2 H ATOM 32259 H2 TIP3 5651 -14.170 2.277 9.481 1.00 0.00 WT2 H ATOM 32260 OH2 TIP3 5653 6.261 2.276 -1.207 1.00 0.00 WT2 O ATOM 32261 H1 TIP3 5653 -13.365 7.350 4.854 1.00 0.00 WT2 H ATOM 32262 H2 TIP3 5653 14.633 -10.983 14.735 1.00 0.00 WT2 H ATOM 32263 OH2 TIP3 5654 -0.903 0.195 -3.152 1.00 0.00 WT2 O ATOM 32264 H1 TIP3 5654 -4.975 6.137 11.660 1.00 0.00 WT2 H ATOM 32265 H2 TIP3 5654 -23.775 -5.554 -9.199 1.00 0.00 WT2 H ATOM 32266 OH2 TIP3 5655 4.773 -6.184 -0.205 1.00 0.00 WT2 O ATOM 32267 H1 TIP3 5655 -10.090 4.588 -5.507 1.00 0.00 WT2 H ATOM 32268 H2 TIP3 5655 15.475 -4.859 16.351 1.00 0.00 WT2 H ATOM 32269 OH2 TIP3 5656 -0.245 -2.899 6.648 1.00 0.00 WT2 O ATOM 32270 H1 TIP3 5656 -9.453 -15.506 12.555 1.00 0.00 WT2 H ATOM 32271 H2 TIP3 5656 -8.991 4.586 10.498 1.00 0.00 WT2 H ATOM 32272 OH2 TIP3 5669 -0.482 5.451 -2.098 1.00 0.00 WT2 O ATOM 32273 H1 TIP3 5669 2.459 9.616 -17.475 1.00 0.00 WT2 H ATOM 32274 H2 TIP3 5669 -13.207 -2.128 2.468 1.00 0.00 WT2 H ATOM 32275 OH2 TIP3 5673 1.109 3.314 -5.563 1.00 0.00 WT2 O ATOM 32276 H1 TIP3 5673 12.139 25.169 -6.326 1.00 0.00 WT2 H ATOM 32277 H2 TIP3 5673 -2.993 6.304 -12.775 1.00 0.00 WT2 H ATOM 32278 OH2 TIP3 5674 -1.624 5.113 0.421 1.00 0.00 WT2 O ATOM 32279 H1 TIP3 5674 3.713 -3.382 29.107 1.00 0.00 WT2 H ATOM 32280 H2 TIP3 5674 -25.341 18.532 -9.157 1.00 0.00 WT2 H ATOM 32281 OH2 TIP3 5675 2.636 3.331 -0.650 1.00 0.00 WT2 O ATOM 32282 H1 TIP3 5675 3.854 -2.896 -8.921 1.00 0.00 WT2 H ATOM 32283 H2 TIP3 5675 11.728 3.221 6.135 1.00 0.00 WT2 H ATOM 32284 OH2 TIP3 5676 -3.802 -1.648 3.769 1.00 0.00 WT2 O ATOM 32285 H1 TIP3 5676 -8.192 8.044 -43.133 1.00 0.00 WT2 H ATOM 32286 H2 TIP3 5676 6.766 -5.625 -14.388 1.00 0.00 WT2 H ATOM 32287 OH2 TIP3 5678 -3.995 -1.096 0.668 1.00 0.00 WT2 O ATOM 32288 H1 TIP3 5678 -16.781 3.965 -19.333 1.00 0.00 WT2 H ATOM 32289 H2 TIP3 5678 -5.415 -19.898 4.944 1.00 0.00 WT2 H ATOM 32290 OH2 TIP3 5679 9.958 -1.777 -8.273 1.00 0.00 WT2 O ATOM 32291 H1 TIP3 5679 -21.978 -10.146 -5.204 1.00 0.00 WT2 H ATOM 32292 H2 TIP3 5679 20.619 11.857 -25.201 1.00 0.00 WT2 H ATOM 32293 OH2 TIP3 5687 -0.226 -2.511 -1.199 1.00 0.00 WT2 O ATOM 32294 H1 TIP3 5687 -5.716 0.193 0.036 1.00 0.00 WT2 H ATOM 32295 H2 TIP3 5687 13.033 3.086 20.862 1.00 0.00 WT2 H ATOM 32296 OH2 TIP3 5690 3.936 -4.371 2.506 1.00 0.00 WT2 O ATOM 32297 H1 TIP3 5690 -20.431 14.703 5.871 1.00 0.00 WT2 H ATOM 32298 H2 TIP3 5690 -4.124 -17.151 -22.206 1.00 0.00 WT2 H ATOM 32299 OH2 TIP3 5692 0.568 -0.630 1.848 1.00 0.00 WT2 O ATOM 32300 H1 TIP3 5692 5.164 6.702 -12.297 1.00 0.00 WT2 H ATOM 32301 H2 TIP3 5692 -1.939 -7.915 -1.546 1.00 0.00 WT2 H ATOM 32302 OH2 TIP3 5693 -11.105 5.379 6.095 1.00 0.00 WT2 O ATOM 32303 H1 TIP3 5693 7.361 -1.241 23.327 1.00 0.00 WT2 H ATOM 32304 H2 TIP3 5693 -26.271 10.571 -8.578 1.00 0.00 WT2 H ATOM 32305 OH2 TIP3 5694 -4.317 0.345 3.127 1.00 0.00 WT2 O ATOM 32306 H1 TIP3 5694 3.531 19.067 -24.623 1.00 0.00 WT2 H ATOM 32307 H2 TIP3 5694 -2.928 7.530 -13.289 1.00 0.00 WT2 H ATOM 32308 OH2 TIP3 5695 -1.288 -0.999 7.974 1.00 0.00 WT2 O ATOM 32309 H1 TIP3 5695 3.091 20.205 24.981 1.00 0.00 WT2 H ATOM 32310 H2 TIP3 5695 -19.349 1.138 -3.573 1.00 0.00 WT2 H ATOM 32311 OH2 TIP3 5697 3.073 0.849 6.733 1.00 0.00 WT2 O ATOM 32312 H1 TIP3 5697 -4.646 10.830 -13.111 1.00 0.00 WT2 H ATOM 32313 H2 TIP3 5697 -1.026 7.621 -7.054 1.00 0.00 WT2 H ATOM 32314 OH2 TIP3 5702 2.935 0.586 -2.912 1.00 0.00 WT2 O ATOM 32315 H1 TIP3 5702 12.377 -11.092 13.622 1.00 0.00 WT2 H ATOM 32316 H2 TIP3 5702 -10.394 -4.272 -14.070 1.00 0.00 WT2 H ATOM 32317 OH2 TIP3 5710 -1.154 -1.516 3.326 1.00 0.00 WT2 O ATOM 32318 H1 TIP3 5710 -16.580 -5.713 -12.007 1.00 0.00 WT2 H ATOM 32319 H2 TIP3 5710 -1.186 -4.127 -18.688 1.00 0.00 WT2 H ATOM 32320 OH2 TIP3 5711 -7.509 2.493 -1.247 1.00 0.00 WT2 O ATOM 32321 H1 TIP3 5711 -7.408 1.126 -4.655 1.00 0.00 WT2 H ATOM 32322 H2 TIP3 5711 1.352 4.580 -4.810 1.00 0.00 WT2 H ATOM 32323 OH2 TIP3 5713 -0.948 -4.604 -5.558 1.00 0.00 WT2 O ATOM 32324 H1 TIP3 5713 -4.387 -1.619 -21.995 1.00 0.00 WT2 H ATOM 32325 H2 TIP3 5713 -0.449 -18.500 17.595 1.00 0.00 WT2 H ATOM 32326 OH2 TIP3 5714 5.615 0.817 -6.486 1.00 0.00 WT2 O ATOM 32327 H1 TIP3 5714 -5.297 7.215 0.089 1.00 0.00 WT2 H ATOM 32328 H2 TIP3 5714 -7.146 1.894 0.059 1.00 0.00 WT2 H ATOM 32329 OH2 TIP3 5716 -10.009 -0.704 1.973 1.00 0.00 WT2 O ATOM 32330 H1 TIP3 5716 10.831 0.786 -12.930 1.00 0.00 WT2 H ATOM 32331 H2 TIP3 5716 8.929 4.978 -11.374 1.00 0.00 WT2 H ATOM 32332 OH2 TIP3 5717 -5.459 2.304 -1.992 1.00 0.00 WT2 O ATOM 32333 H1 TIP3 5717 -18.804 6.748 -25.236 1.00 0.00 WT2 H ATOM 32334 H2 TIP3 5717 0.490 1.079 7.764 1.00 0.00 WT2 H ATOM 32335 OH2 TIP3 5720 1.283 0.923 -5.615 1.00 0.00 WT2 O ATOM 32336 H1 TIP3 5720 0.841 4.067 2.240 1.00 0.00 WT2 H ATOM 32337 H2 TIP3 5720 -7.063 2.247 20.419 1.00 0.00 WT2 H ATOM 32338 OH2 TIP3 5730 1.459 -10.505 -6.718 1.00 0.00 WT2 O ATOM 32339 H1 TIP3 5730 -9.853 0.178 -1.385 1.00 0.00 WT2 H ATOM 32340 H2 TIP3 5730 -12.359 -4.767 -6.518 1.00 0.00 WT2 H ATOM 32341 OH2 TIP3 5734 4.323 -0.202 2.343 1.00 0.00 WT2 O ATOM 32342 H1 TIP3 5734 3.841 2.607 -5.324 1.00 0.00 WT2 H ATOM 32343 H2 TIP3 5734 7.006 -4.868 10.575 1.00 0.00 WT2 H ATOM 32344 OH2 TIP3 5735 -4.976 -5.510 2.929 1.00 0.00 WT2 O ATOM 32345 H1 TIP3 5735 -6.563 5.725 4.171 1.00 0.00 WT2 H ATOM 32346 H2 TIP3 5735 -0.652 16.999 12.681 1.00 0.00 WT2 H ATOM 32347 OH2 TIP3 5736 7.990 4.520 0.133 1.00 0.00 WT2 O ATOM 32348 H1 TIP3 5736 -9.169 -1.165 5.382 1.00 0.00 WT2 H ATOM 32349 H2 TIP3 5736 -6.653 -16.880 -16.728 1.00 0.00 WT2 H ATOM 32350 OH2 TIP3 5738 1.199 -3.510 -0.632 1.00 0.00 WT2 O ATOM 32351 H1 TIP3 5738 7.806 8.936 8.209 1.00 0.00 WT2 H ATOM 32352 H2 TIP3 5738 6.514 -12.324 -8.088 1.00 0.00 WT2 H ATOM 32353 OH2 TIP3 5740 -4.639 -3.327 2.635 1.00 0.00 WT2 O ATOM 32354 H1 TIP3 5740 -6.433 -19.972 12.719 1.00 0.00 WT2 H ATOM 32355 H2 TIP3 5740 -10.230 -21.377 -16.619 1.00 0.00 WT2 H ATOM 32356 OH2 TIP3 5743 -6.709 2.000 -0.391 1.00 0.00 WT2 O ATOM 32357 H1 TIP3 5743 1.913 7.334 -7.653 1.00 0.00 WT2 H ATOM 32358 H2 TIP3 5743 -7.087 0.263 7.905 1.00 0.00 WT2 H ATOM 32359 OH2 TIP3 5755 7.787 -0.047 3.945 1.00 0.00 WT2 O ATOM 32360 H1 TIP3 5755 22.935 -7.194 1.781 1.00 0.00 WT2 H ATOM 32361 H2 TIP3 5755 3.346 -3.639 -23.111 1.00 0.00 WT2 H ATOM 32362 OH2 TIP3 5756 1.997 -1.038 3.537 1.00 0.00 WT2 O ATOM 32363 H1 TIP3 5756 -3.154 13.176 -6.820 1.00 0.00 WT2 H ATOM 32364 H2 TIP3 5756 -13.048 -9.506 5.851 1.00 0.00 WT2 H ATOM 32365 OH2 TIP3 5758 3.643 8.329 5.243 1.00 0.00 WT2 O ATOM 32366 H1 TIP3 5758 -0.181 7.207 8.685 1.00 0.00 WT2 H ATOM 32367 H2 TIP3 5758 11.151 7.587 6.854 1.00 0.00 WT2 H ATOM 32368 OH2 TIP3 5759 -3.852 -2.755 0.202 1.00 0.00 WT2 O ATOM 32369 H1 TIP3 5759 2.097 -1.834 -11.916 1.00 0.00 WT2 H ATOM 32370 H2 TIP3 5759 -8.776 -0.136 6.289 1.00 0.00 WT2 H ATOM 32371 OH2 TIP3 5761 -7.080 -2.509 -6.079 1.00 0.00 WT2 O ATOM 32372 H1 TIP3 5761 -10.806 2.181 -1.034 1.00 0.00 WT2 H ATOM 32373 H2 TIP3 5761 0.303 -8.914 4.463 1.00 0.00 WT2 H ATOM 32374 OH2 TIP3 5762 -0.057 -2.124 0.675 1.00 0.00 WT2 O ATOM 32375 H1 TIP3 5762 -5.828 16.141 -7.135 1.00 0.00 WT2 H ATOM 32376 H2 TIP3 5762 -0.558 14.722 16.389 1.00 0.00 WT2 H ATOM 32377 OH2 TIP3 5764 7.919 -6.225 -1.094 1.00 0.00 WT2 O ATOM 32378 H1 TIP3 5764 3.400 0.808 0.212 1.00 0.00 WT2 H ATOM 32379 H2 TIP3 5764 -7.304 17.664 -0.313 1.00 0.00 WT2 H ATOM 32380 OH2 TIP3 5767 -4.978 2.657 3.081 1.00 0.00 WT2 O ATOM 32381 H1 TIP3 5767 -18.628 5.153 -24.498 1.00 0.00 WT2 H ATOM 32382 H2 TIP3 5767 -16.362 -31.416 16.043 1.00 0.00 WT2 H ATOM 32383 OH2 TIP3 5768 -4.880 0.414 -0.978 1.00 0.00 WT2 O ATOM 32384 H1 TIP3 5768 1.992 26.678 4.762 1.00 0.00 WT2 H ATOM 32385 H2 TIP3 5768 22.000 8.471 13.773 1.00 0.00 WT2 H ATOM 32386 OH2 TIP3 5775 -0.725 7.247 5.450 1.00 0.00 WT2 O ATOM 32387 H1 TIP3 5775 25.829 6.108 11.170 1.00 0.00 WT2 H ATOM 32388 H2 TIP3 5775 -15.662 7.820 15.713 1.00 0.00 WT2 H ATOM 32389 OH2 TIP3 5777 0.260 -2.094 -6.252 1.00 0.00 WT2 O ATOM 32390 H1 TIP3 5777 -25.272 -6.575 -22.664 1.00 0.00 WT2 H ATOM 32391 H2 TIP3 5777 -6.713 12.071 -8.830 1.00 0.00 WT2 H ATOM 32392 OH2 TIP3 5778 -1.930 -12.436 -6.371 1.00 0.00 WT2 O ATOM 32393 H1 TIP3 5778 -7.112 -8.676 -9.521 1.00 0.00 WT2 H ATOM 32394 H2 TIP3 5778 -8.231 -4.637 -21.041 1.00 0.00 WT2 H ATOM 32395 OH2 TIP3 5779 -5.711 6.823 -1.286 1.00 0.00 WT2 O ATOM 32396 H1 TIP3 5779 3.121 7.807 -7.713 1.00 0.00 WT2 H ATOM 32397 H2 TIP3 5779 3.511 -11.447 20.017 1.00 0.00 WT2 H ATOM 32398 OH2 TIP3 5780 -3.814 1.114 -0.794 1.00 0.00 WT2 O ATOM 32399 H1 TIP3 5780 2.886 -18.372 -8.914 1.00 0.00 WT2 H ATOM 32400 H2 TIP3 5780 -20.569 5.017 -11.997 1.00 0.00 WT2 H ATOM 32401 OH2 TIP3 5795 -5.411 -1.040 -2.124 1.00 0.00 WT2 O ATOM 32402 H1 TIP3 5795 -8.476 5.515 -6.497 1.00 0.00 WT2 H ATOM 32403 H2 TIP3 5795 3.605 -7.308 -3.654 1.00 0.00 WT2 H ATOM 32404 OH2 TIP3 5797 -0.636 4.206 1.881 1.00 0.00 WT2 O ATOM 32405 H1 TIP3 5797 -7.335 0.462 22.396 1.00 0.00 WT2 H ATOM 32406 H2 TIP3 5797 -0.735 13.713 -9.522 1.00 0.00 WT2 H ATOM 32407 OH2 TIP3 5798 5.236 -0.248 -2.531 1.00 0.00 WT2 O ATOM 32408 H1 TIP3 5798 11.731 -9.487 -10.111 1.00 0.00 WT2 H ATOM 32409 H2 TIP3 5798 -3.600 -7.118 1.617 1.00 0.00 WT2 H ATOM 32410 OH2 TIP3 5799 -7.770 1.019 -2.576 1.00 0.00 WT2 O ATOM 32411 H1 TIP3 5799 5.105 -14.035 -1.970 1.00 0.00 WT2 H ATOM 32412 H2 TIP3 5799 -4.656 -2.825 -3.499 1.00 0.00 WT2 H ATOM 32413 OH2 TIP3 5800 -1.118 -1.486 -1.332 1.00 0.00 WT2 O ATOM 32414 H1 TIP3 5800 -16.431 2.541 -4.499 1.00 0.00 WT2 H ATOM 32415 H2 TIP3 5800 -2.003 -1.207 -0.776 1.00 0.00 WT2 H ATOM 32416 OH2 TIP3 5801 -1.935 -1.640 -1.129 1.00 0.00 WT2 O ATOM 32417 H1 TIP3 5801 -1.356 9.829 -7.442 1.00 0.00 WT2 H ATOM 32418 H2 TIP3 5801 -12.871 -11.835 -10.072 1.00 0.00 WT2 H ATOM 32419 OH2 TIP3 5802 4.392 3.038 0.931 1.00 0.00 WT2 O ATOM 32420 H1 TIP3 5802 2.001 -4.717 2.758 1.00 0.00 WT2 H ATOM 32421 H2 TIP3 5802 9.957 20.965 -3.578 1.00 0.00 WT2 H ATOM 32422 OH2 TIP3 5818 0.791 3.737 6.523 1.00 0.00 WT2 O ATOM 32423 H1 TIP3 5818 -3.927 15.784 12.499 1.00 0.00 WT2 H ATOM 32424 H2 TIP3 5818 8.325 1.751 12.909 1.00 0.00 WT2 H ATOM 32425 OH2 TIP3 5819 -4.015 -8.567 4.032 1.00 0.00 WT2 O ATOM 32426 H1 TIP3 5819 10.624 1.342 5.897 1.00 0.00 WT2 H ATOM 32427 H2 TIP3 5819 -3.096 -15.576 -0.309 1.00 0.00 WT2 H ATOM 32428 OH2 TIP3 5820 -1.795 -0.425 3.864 1.00 0.00 WT2 O ATOM 32429 H1 TIP3 5820 -5.730 22.693 24.351 1.00 0.00 WT2 H ATOM 32430 H2 TIP3 5820 -7.155 6.797 -6.297 1.00 0.00 WT2 H ATOM 32431 OH2 TIP3 5821 3.409 3.022 -1.734 1.00 0.00 WT2 O ATOM 32432 H1 TIP3 5821 18.581 -2.585 13.671 1.00 0.00 WT2 H ATOM 32433 H2 TIP3 5821 14.300 0.580 7.028 1.00 0.00 WT2 H ATOM 32434 OH2 TIP3 5822 1.010 6.358 -3.289 1.00 0.00 WT2 O ATOM 32435 H1 TIP3 5822 -2.063 4.747 -41.238 1.00 0.00 WT2 H ATOM 32436 H2 TIP3 5822 16.748 -2.517 -8.569 1.00 0.00 WT2 H ATOM 32437 OH2 TIP3 5823 0.185 0.701 3.592 1.00 0.00 WT2 O ATOM 32438 H1 TIP3 5823 10.048 5.696 -8.574 1.00 0.00 WT2 H ATOM 32439 H2 TIP3 5823 11.143 -6.405 10.832 1.00 0.00 WT2 H ATOM 32440 OH2 TIP3 5825 -3.541 -0.888 -1.380 1.00 0.00 WT2 O ATOM 32441 H1 TIP3 5825 -2.836 3.356 1.986 1.00 0.00 WT2 H ATOM 32442 H2 TIP3 5825 -1.893 4.595 1.717 1.00 0.00 WT2 H ATOM 32443 OH2 TIP3 5828 1.258 2.651 -3.539 1.00 0.00 WT2 O ATOM 32444 H1 TIP3 5828 11.108 8.637 1.538 1.00 0.00 WT2 H ATOM 32445 H2 TIP3 5828 -7.009 -13.659 10.427 1.00 0.00 WT2 H ATOM 32446 OH2 TIP3 5836 3.019 5.182 -14.167 1.00 0.00 WT2 O ATOM 32447 H1 TIP3 5836 19.434 9.621 -14.928 1.00 0.00 WT2 H ATOM 32448 H2 TIP3 5836 -1.536 6.668 0.817 1.00 0.00 WT2 H ATOM 32449 OH2 TIP3 5837 -2.241 2.784 -3.293 1.00 0.00 WT2 O ATOM 32450 H1 TIP3 5837 -3.791 6.918 0.485 1.00 0.00 WT2 H ATOM 32451 H2 TIP3 5837 0.120 -11.288 -15.473 1.00 0.00 WT2 H ATOM 32452 OH2 TIP3 5839 5.182 -2.333 0.031 1.00 0.00 WT2 O ATOM 32453 H1 TIP3 5839 13.762 -14.859 16.615 1.00 0.00 WT2 H ATOM 32454 H2 TIP3 5839 -12.466 9.210 18.378 1.00 0.00 WT2 H ATOM 32455 OH2 TIP3 5840 4.376 -1.931 1.120 1.00 0.00 WT2 O ATOM 32456 H1 TIP3 5840 15.217 -3.105 14.549 1.00 0.00 WT2 H ATOM 32457 H2 TIP3 5840 -9.054 16.909 -29.800 1.00 0.00 WT2 H ATOM 32458 OH2 TIP3 5841 1.651 -4.646 2.376 1.00 0.00 WT2 O ATOM 32459 H1 TIP3 5841 6.404 -7.513 13.213 1.00 0.00 WT2 H ATOM 32460 H2 TIP3 5841 -0.484 5.657 -24.425 1.00 0.00 WT2 H ATOM 32461 OH2 TIP3 5843 -2.023 -0.591 6.737 1.00 0.00 WT2 O ATOM 32462 H1 TIP3 5843 2.087 -0.624 -9.539 1.00 0.00 WT2 H ATOM 32463 H2 TIP3 5843 23.855 -7.806 5.437 1.00 0.00 WT2 H ATOM 32464 OH2 TIP3 5844 0.571 -2.024 -0.874 1.00 0.00 WT2 O ATOM 32465 H1 TIP3 5844 3.060 2.992 8.011 1.00 0.00 WT2 H ATOM 32466 H2 TIP3 5844 -5.553 -6.267 11.188 1.00 0.00 WT2 H ATOM 32467 OH2 TIP3 5846 -6.163 -0.100 -4.357 1.00 0.00 WT2 O ATOM 32468 H1 TIP3 5846 -13.994 -13.499 3.238 1.00 0.00 WT2 H ATOM 32469 H2 TIP3 5846 -3.233 -17.428 -3.722 1.00 0.00 WT2 H ATOM 32470 OH2 TIP3 5859 3.779 -3.167 -1.968 1.00 0.00 WT2 O ATOM 32471 H1 TIP3 5859 9.499 6.196 3.293 1.00 0.00 WT2 H ATOM 32472 H2 TIP3 5859 13.741 2.103 -8.720 1.00 0.00 WT2 H ATOM 32473 OH2 TIP3 5860 -1.744 0.837 0.233 1.00 0.00 WT2 O ATOM 32474 H1 TIP3 5860 11.200 -5.059 1.507 1.00 0.00 WT2 H ATOM 32475 H2 TIP3 5860 -23.201 14.091 1.912 1.00 0.00 WT2 H ATOM 32476 OH2 TIP3 5861 -3.456 4.206 -3.130 1.00 0.00 WT2 O ATOM 32477 H1 TIP3 5861 -7.160 -2.389 -6.539 1.00 0.00 WT2 H ATOM 32478 H2 TIP3 5861 -14.748 9.824 5.119 1.00 0.00 WT2 H ATOM 32479 OH2 TIP3 5862 -0.499 0.346 2.677 1.00 0.00 WT2 O ATOM 32480 H1 TIP3 5862 -7.224 2.387 1.798 1.00 0.00 WT2 H ATOM 32481 H2 TIP3 5862 -16.178 5.499 0.248 1.00 0.00 WT2 H ATOM 32482 OH2 TIP3 5863 -6.707 3.635 3.446 1.00 0.00 WT2 O ATOM 32483 H1 TIP3 5863 5.161 -1.065 -6.413 1.00 0.00 WT2 H ATOM 32484 H2 TIP3 5863 10.497 -8.865 -1.218 1.00 0.00 WT2 H ATOM 32485 OH2 TIP3 5865 -0.285 -2.889 -5.579 1.00 0.00 WT2 O ATOM 32486 H1 TIP3 5865 -8.805 -18.193 8.013 1.00 0.00 WT2 H ATOM 32487 H2 TIP3 5865 19.225 3.324 7.771 1.00 0.00 WT2 H ATOM 32488 OH2 TIP3 5866 1.300 2.298 -0.591 1.00 0.00 WT2 O ATOM 32489 H1 TIP3 5866 11.860 0.618 -23.710 1.00 0.00 WT2 H ATOM 32490 H2 TIP3 5866 -0.619 1.484 5.742 1.00 0.00 WT2 H ATOM 32491 OH2 TIP3 5869 -0.966 1.498 -0.327 1.00 0.00 WT2 O ATOM 32492 H1 TIP3 5869 -23.741 0.212 10.435 1.00 0.00 WT2 H ATOM 32493 H2 TIP3 5869 5.209 1.162 -3.146 1.00 0.00 WT2 H ATOM 32494 OH2 TIP3 5881 -7.176 -4.830 0.954 1.00 0.00 WT2 O ATOM 32495 H1 TIP3 5881 -3.744 26.346 -10.554 1.00 0.00 WT2 H ATOM 32496 H2 TIP3 5881 6.339 -12.453 -0.472 1.00 0.00 WT2 H ATOM 32497 OH2 TIP3 5883 5.426 -1.051 3.663 1.00 0.00 WT2 O ATOM 32498 H1 TIP3 5883 -13.414 -26.516 16.263 1.00 0.00 WT2 H ATOM 32499 H2 TIP3 5883 9.923 10.075 -6.178 1.00 0.00 WT2 H ATOM 32500 OH2 TIP3 5884 -5.033 -1.668 -2.626 1.00 0.00 WT2 O ATOM 32501 H1 TIP3 5884 2.196 1.975 16.158 1.00 0.00 WT2 H ATOM 32502 H2 TIP3 5884 -5.152 2.166 -4.590 1.00 0.00 WT2 H ATOM 32503 OH2 TIP3 5885 -1.750 -1.572 7.080 1.00 0.00 WT2 O ATOM 32504 H1 TIP3 5885 -4.359 -4.682 -4.850 1.00 0.00 WT2 H ATOM 32505 H2 TIP3 5885 -5.476 -1.615 8.006 1.00 0.00 WT2 H ATOM 32506 OH2 TIP3 5886 -2.934 2.709 4.970 1.00 0.00 WT2 O ATOM 32507 H1 TIP3 5886 8.414 11.539 -5.455 1.00 0.00 WT2 H ATOM 32508 H2 TIP3 5886 -19.977 13.785 14.304 1.00 0.00 WT2 H ATOM 32509 OH2 TIP3 5887 1.663 0.669 2.756 1.00 0.00 WT2 O ATOM 32510 H1 TIP3 5887 8.332 -3.191 15.973 1.00 0.00 WT2 H ATOM 32511 H2 TIP3 5887 3.410 -13.351 0.177 1.00 0.00 WT2 H ATOM 32512 OH2 TIP3 5889 11.326 3.842 -2.083 1.00 0.00 WT2 O ATOM 32513 H1 TIP3 5889 -2.610 4.324 12.764 1.00 0.00 WT2 H ATOM 32514 H2 TIP3 5889 -1.533 21.253 27.913 1.00 0.00 WT2 H ATOM 32515 OH2 TIP3 5899 -1.515 2.127 -10.063 1.00 0.00 WT2 O ATOM 32516 H1 TIP3 5899 3.224 9.897 -1.585 1.00 0.00 WT2 H ATOM 32517 H2 TIP3 5899 4.502 -8.694 -13.504 1.00 0.00 WT2 H ATOM 32518 OH2 TIP3 5901 -15.451 1.587 5.738 1.00 0.00 WT2 O ATOM 32519 H1 TIP3 5901 2.174 -16.418 7.060 1.00 0.00 WT2 H ATOM 32520 H2 TIP3 5901 -4.086 -16.806 8.012 1.00 0.00 WT2 H ATOM 32521 OH2 TIP3 5903 2.666 5.693 -0.474 1.00 0.00 WT2 O ATOM 32522 H1 TIP3 5903 1.049 -13.829 9.102 1.00 0.00 WT2 H ATOM 32523 H2 TIP3 5903 -11.873 6.319 -7.184 1.00 0.00 WT2 H ATOM 32524 OH2 TIP3 5904 -5.540 -0.301 2.609 1.00 0.00 WT2 O ATOM 32525 H1 TIP3 5904 9.390 -1.593 -21.465 1.00 0.00 WT2 H ATOM 32526 H2 TIP3 5904 8.119 -20.882 8.736 1.00 0.00 WT2 H ATOM 32527 OH2 TIP3 5905 2.365 -5.655 3.728 1.00 0.00 WT2 O ATOM 32528 H1 TIP3 5905 21.619 -14.227 4.562 1.00 0.00 WT2 H ATOM 32529 H2 TIP3 5905 -16.426 -4.292 -1.001 1.00 0.00 WT2 H ATOM 32530 OH2 TIP3 5906 0.248 0.716 0.046 1.00 0.00 WT2 O ATOM 32531 H1 TIP3 5906 6.031 7.235 25.304 1.00 0.00 WT2 H ATOM 32532 H2 TIP3 5906 -9.582 7.558 1.027 1.00 0.00 WT2 H ATOM 32533 OH2 TIP3 5909 0.929 2.402 1.165 1.00 0.00 WT2 O ATOM 32534 H1 TIP3 5909 1.211 -0.742 20.917 1.00 0.00 WT2 H ATOM 32535 H2 TIP3 5909 6.647 24.167 -2.359 1.00 0.00 WT2 H ATOM 32536 OH2 TIP3 5911 -4.297 -0.407 0.777 1.00 0.00 WT2 O ATOM 32537 H1 TIP3 5911 19.991 10.296 16.389 1.00 0.00 WT2 H ATOM 32538 H2 TIP3 5911 -11.142 -7.585 -6.435 1.00 0.00 WT2 H ATOM 32539 OH2 TIP3 5920 3.344 -3.136 -1.133 1.00 0.00 WT2 O ATOM 32540 H1 TIP3 5920 3.094 -15.254 4.804 1.00 0.00 WT2 H ATOM 32541 H2 TIP3 5920 18.715 -21.901 -25.158 1.00 0.00 WT2 H ATOM 32542 OH2 TIP3 5925 -0.388 -6.070 -3.200 1.00 0.00 WT2 O ATOM 32543 H1 TIP3 5925 -13.726 -0.615 3.905 1.00 0.00 WT2 H ATOM 32544 H2 TIP3 5925 -0.884 2.848 0.855 1.00 0.00 WT2 H ATOM 32545 OH2 TIP3 5926 1.700 1.175 -1.823 1.00 0.00 WT2 O ATOM 32546 H1 TIP3 5926 4.667 11.027 2.638 1.00 0.00 WT2 H ATOM 32547 H2 TIP3 5926 23.062 3.639 -18.646 1.00 0.00 WT2 H ATOM 32548 OH2 TIP3 5927 -6.382 -0.688 3.272 1.00 0.00 WT2 O ATOM 32549 H1 TIP3 5927 -5.672 12.343 0.982 1.00 0.00 WT2 H ATOM 32550 H2 TIP3 5927 -11.544 0.567 10.731 1.00 0.00 WT2 H ATOM 32551 OH2 TIP3 5928 0.617 3.896 2.727 1.00 0.00 WT2 O ATOM 32552 H1 TIP3 5928 -16.200 -7.787 2.467 1.00 0.00 WT2 H ATOM 32553 H2 TIP3 5928 2.172 6.232 10.876 1.00 0.00 WT2 H ATOM 32554 OH2 TIP3 5941 -1.800 5.443 -3.412 1.00 0.00 WT2 O ATOM 32555 H1 TIP3 5941 -17.006 5.416 -2.026 1.00 0.00 WT2 H ATOM 32556 H2 TIP3 5941 -8.762 -2.779 -10.968 1.00 0.00 WT2 H ATOM 32557 OH2 TIP3 5945 1.424 9.504 -4.987 1.00 0.00 WT2 O ATOM 32558 H1 TIP3 5945 1.939 0.196 14.883 1.00 0.00 WT2 H ATOM 32559 H2 TIP3 5945 -13.375 24.451 1.247 1.00 0.00 WT2 H ATOM 32560 OH2 TIP3 5946 -0.122 -0.547 -3.386 1.00 0.00 WT2 O ATOM 32561 H1 TIP3 5946 13.311 -17.791 -7.093 1.00 0.00 WT2 H ATOM 32562 H2 TIP3 5946 -5.137 7.954 -2.391 1.00 0.00 WT2 H ATOM 32563 OH2 TIP3 5947 -5.427 0.778 0.590 1.00 0.00 WT2 O ATOM 32564 H1 TIP3 5947 2.958 -6.502 -2.774 1.00 0.00 WT2 H ATOM 32565 H2 TIP3 5947 -17.761 5.533 20.545 1.00 0.00 WT2 H ATOM 32566 OH2 TIP3 5948 -7.118 0.680 0.822 1.00 0.00 WT2 O ATOM 32567 H1 TIP3 5948 15.545 -11.171 -14.810 1.00 0.00 WT2 H ATOM 32568 H2 TIP3 5948 5.661 -0.275 8.306 1.00 0.00 WT2 H ATOM 32569 OH2 TIP3 5949 -0.441 1.249 -8.336 1.00 0.00 WT2 O ATOM 32570 H1 TIP3 5949 27.663 2.900 -8.511 1.00 0.00 WT2 H ATOM 32571 H2 TIP3 5949 26.450 1.913 -7.643 1.00 0.00 WT2 H ATOM 32572 OH2 TIP3 5950 -4.076 4.212 2.698 1.00 0.00 WT2 O ATOM 32573 H1 TIP3 5950 -3.395 -0.610 6.754 1.00 0.00 WT2 H ATOM 32574 H2 TIP3 5950 -6.466 5.849 0.066 1.00 0.00 WT2 H ATOM 32575 OH2 TIP3 5964 2.609 2.589 7.816 1.00 0.00 WT2 O ATOM 32576 H1 TIP3 5964 3.071 3.262 12.009 1.00 0.00 WT2 H ATOM 32577 H2 TIP3 5964 9.624 -1.635 20.780 1.00 0.00 WT2 H ATOM 32578 OH2 TIP3 5965 -2.786 1.855 -1.319 1.00 0.00 WT2 O ATOM 32579 H1 TIP3 5965 9.274 11.053 24.884 1.00 0.00 WT2 H ATOM 32580 H2 TIP3 5965 -32.449 4.634 15.355 1.00 0.00 WT2 H ATOM 32581 OH2 TIP3 5966 -1.045 0.610 1.269 1.00 0.00 WT2 O ATOM 32582 H1 TIP3 5966 -1.421 -2.295 -0.292 1.00 0.00 WT2 H ATOM 32583 H2 TIP3 5966 0.544 0.373 8.096 1.00 0.00 WT2 H ATOM 32584 OH2 TIP3 5968 -1.711 -1.280 6.241 1.00 0.00 WT2 O ATOM 32585 H1 TIP3 5968 -0.152 5.492 7.870 1.00 0.00 WT2 H ATOM 32586 H2 TIP3 5968 1.706 3.884 10.908 1.00 0.00 WT2 H ATOM 32587 OH2 TIP3 5969 -2.518 -5.335 3.579 1.00 0.00 WT2 O ATOM 32588 H1 TIP3 5969 -7.280 -8.729 0.482 1.00 0.00 WT2 H ATOM 32589 H2 TIP3 5969 -9.412 4.294 -12.325 1.00 0.00 WT2 H ATOM 32590 OH2 TIP3 5970 -3.772 5.207 -0.196 1.00 0.00 WT2 O ATOM 32591 H1 TIP3 5970 -1.427 -5.518 -3.031 1.00 0.00 WT2 H ATOM 32592 H2 TIP3 5970 6.048 5.758 -0.759 1.00 0.00 WT2 H ATOM 32593 OH2 TIP3 5986 -0.550 -1.091 -0.155 1.00 0.00 WT2 O ATOM 32594 H1 TIP3 5986 -16.351 10.177 14.453 1.00 0.00 WT2 H ATOM 32595 H2 TIP3 5986 4.486 21.976 -7.676 1.00 0.00 WT2 H ATOM 32596 OH2 TIP3 5987 0.886 -0.761 -4.581 1.00 0.00 WT2 O ATOM 32597 H1 TIP3 5987 -19.337 17.716 26.220 1.00 0.00 WT2 H ATOM 32598 H2 TIP3 5987 -5.238 11.281 -10.702 1.00 0.00 WT2 H ATOM 32599 OH2 TIP3 5988 -0.782 2.776 -7.396 1.00 0.00 WT2 O ATOM 32600 H1 TIP3 5988 -11.601 3.367 17.264 1.00 0.00 WT2 H ATOM 32601 H2 TIP3 5988 -17.309 10.831 9.607 1.00 0.00 WT2 H ATOM 32602 OH2 TIP3 5989 3.050 -4.746 -3.090 1.00 0.00 WT2 O ATOM 32603 H1 TIP3 5989 3.054 15.546 -3.404 1.00 0.00 WT2 H ATOM 32604 H2 TIP3 5989 9.739 -6.036 18.042 1.00 0.00 WT2 H ATOM 32605 OH2 TIP3 5990 3.343 -4.697 6.314 1.00 0.00 WT2 O ATOM 32606 H1 TIP3 5990 7.053 -11.159 -1.870 1.00 0.00 WT2 H ATOM 32607 H2 TIP3 5990 -17.492 3.084 -19.498 1.00 0.00 WT2 H ATOM 32608 OH2 TIP3 5991 8.689 -7.183 0.855 1.00 0.00 WT2 O ATOM 32609 H1 TIP3 5991 8.573 -2.352 -0.286 1.00 0.00 WT2 H ATOM 32610 H2 TIP3 5991 -3.068 -11.935 -0.837 1.00 0.00 WT2 H ATOM 32611 OH2 TIP3 5992 0.638 -4.638 10.015 1.00 0.00 WT2 O ATOM 32612 H1 TIP3 5992 0.347 -5.292 10.571 1.00 0.00 WT2 H ATOM 32613 H2 TIP3 5992 -13.201 -16.477 10.940 1.00 0.00 WT2 H ATOM 32614 OH2 TIP3 5994 -5.535 -4.259 7.025 1.00 0.00 WT2 O ATOM 32615 H1 TIP3 5994 -6.910 16.910 -1.360 1.00 0.00 WT2 H ATOM 32616 H2 TIP3 5994 4.234 -1.277 -0.910 1.00 0.00 WT2 H ATOM 32617 OH2 TIP3 6006 -6.768 -1.204 6.001 1.00 0.00 WT2 O ATOM 32618 H1 TIP3 6006 -7.542 2.095 6.159 1.00 0.00 WT2 H ATOM 32619 H2 TIP3 6006 0.169 -15.421 9.886 1.00 0.00 WT2 H ATOM 32620 OH2 TIP3 6009 -0.221 -3.308 6.496 1.00 0.00 WT2 O ATOM 32621 H1 TIP3 6009 10.487 -16.837 11.550 1.00 0.00 WT2 H ATOM 32622 H2 TIP3 6009 -1.957 4.225 18.262 1.00 0.00 WT2 H ATOM 32623 OH2 TIP3 6011 -2.092 -0.286 3.631 1.00 0.00 WT2 O ATOM 32624 H1 TIP3 6011 -5.943 18.066 9.261 1.00 0.00 WT2 H ATOM 32625 H2 TIP3 6011 -5.017 -14.361 1.371 1.00 0.00 WT2 H ATOM 32626 OH2 TIP3 6013 -3.413 -1.229 0.884 1.00 0.00 WT2 O ATOM 32627 H1 TIP3 6013 26.005 2.675 14.248 1.00 0.00 WT2 H ATOM 32628 H2 TIP3 6013 -17.307 5.803 -4.225 1.00 0.00 WT2 H ATOM 32629 OH2 TIP3 6014 -0.627 -4.111 1.589 1.00 0.00 WT2 O ATOM 32630 H1 TIP3 6014 2.172 14.846 14.248 1.00 0.00 WT2 H ATOM 32631 H2 TIP3 6014 -11.901 -21.369 -10.642 1.00 0.00 WT2 H ATOM 32632 OH2 TIP3 6019 -3.423 5.861 5.006 1.00 0.00 WT2 O ATOM 32633 H1 TIP3 6019 13.007 6.439 -0.003 1.00 0.00 WT2 H ATOM 32634 H2 TIP3 6019 -12.061 18.146 -4.570 1.00 0.00 WT2 H ATOM 32635 OH2 TIP3 6027 8.470 -1.702 6.513 1.00 0.00 WT2 O ATOM 32636 H1 TIP3 6027 20.928 13.766 -2.208 1.00 0.00 WT2 H ATOM 32637 H2 TIP3 6027 -10.837 -2.829 -4.884 1.00 0.00 WT2 H ATOM 32638 OH2 TIP3 6028 5.150 2.094 2.049 1.00 0.00 WT2 O ATOM 32639 H1 TIP3 6028 -3.494 -1.788 1.510 1.00 0.00 WT2 H ATOM 32640 H2 TIP3 6028 8.777 0.096 9.424 1.00 0.00 WT2 H ATOM 32641 OH2 TIP3 6029 1.059 -8.406 4.599 1.00 0.00 WT2 O ATOM 32642 H1 TIP3 6029 21.480 -7.977 9.381 1.00 0.00 WT2 H ATOM 32643 H2 TIP3 6029 -9.901 10.967 23.295 1.00 0.00 WT2 H ATOM 32644 OH2 TIP3 6030 1.338 -6.993 1.438 1.00 0.00 WT2 O ATOM 32645 H1 TIP3 6030 1.122 6.012 -1.034 1.00 0.00 WT2 H ATOM 32646 H2 TIP3 6030 3.705 -1.668 15.981 1.00 0.00 WT2 H ATOM 32647 OH2 TIP3 6031 1.485 3.013 1.739 1.00 0.00 WT2 O ATOM 32648 H1 TIP3 6031 8.174 3.435 11.670 1.00 0.00 WT2 H ATOM 32649 H2 TIP3 6031 19.434 13.259 -7.090 1.00 0.00 WT2 H ATOM 32650 OH2 TIP3 6034 0.337 -3.925 -3.644 1.00 0.00 WT2 O ATOM 32651 H1 TIP3 6034 -1.634 -8.806 -16.310 1.00 0.00 WT2 H ATOM 32652 H2 TIP3 6034 -4.515 -1.408 5.882 1.00 0.00 WT2 H ATOM 32653 OH2 TIP3 6035 -0.968 -3.744 3.289 1.00 0.00 WT2 O ATOM 32654 H1 TIP3 6035 -2.881 -6.231 -1.587 1.00 0.00 WT2 H ATOM 32655 H2 TIP3 6035 -10.673 -0.019 -2.496 1.00 0.00 WT2 H ATOM 32656 OH2 TIP3 6036 6.575 -3.458 -2.790 1.00 0.00 WT2 O ATOM 32657 H1 TIP3 6036 -2.851 18.231 5.840 1.00 0.00 WT2 H ATOM 32658 H2 TIP3 6036 7.389 4.238 -5.564 1.00 0.00 WT2 H ATOM 32659 OH2 TIP3 6037 0.529 1.949 -2.879 1.00 0.00 WT2 O ATOM 32660 H1 TIP3 6037 5.609 -9.652 6.569 1.00 0.00 WT2 H ATOM 32661 H2 TIP3 6037 -19.155 -12.197 22.026 1.00 0.00 WT2 H ATOM 32662 OH2 TIP3 6046 -3.955 0.340 4.412 1.00 0.00 WT2 O ATOM 32663 H1 TIP3 6046 -3.471 15.561 -7.014 1.00 0.00 WT2 H ATOM 32664 H2 TIP3 6046 -8.187 -4.682 10.694 1.00 0.00 WT2 H ATOM 32665 OH2 TIP3 6048 2.766 -0.917 -3.104 1.00 0.00 WT2 O ATOM 32666 H1 TIP3 6048 -0.279 -17.305 2.606 1.00 0.00 WT2 H ATOM 32667 H2 TIP3 6048 -16.148 -5.765 0.011 1.00 0.00 WT2 H ATOM 32668 OH2 TIP3 6049 0.502 -2.347 1.638 1.00 0.00 WT2 O ATOM 32669 H1 TIP3 6049 12.501 1.932 8.255 1.00 0.00 WT2 H ATOM 32670 H2 TIP3 6049 12.995 -0.300 -13.280 1.00 0.00 WT2 H ATOM 32671 OH2 TIP3 6051 2.301 2.825 -4.194 1.00 0.00 WT2 O ATOM 32672 H1 TIP3 6051 -7.564 12.971 -3.490 1.00 0.00 WT2 H ATOM 32673 H2 TIP3 6051 -2.122 9.787 7.615 1.00 0.00 WT2 H ATOM 32674 OH2 TIP3 6054 -1.401 0.791 3.501 1.00 0.00 WT2 O ATOM 32675 H1 TIP3 6054 -9.710 -9.476 14.823 1.00 0.00 WT2 H ATOM 32676 H2 TIP3 6054 1.654 6.405 0.195 1.00 0.00 WT2 H ATOM 32677 OH2 TIP3 6068 0.614 -2.258 2.837 1.00 0.00 WT2 O ATOM 32678 H1 TIP3 6068 6.777 -5.298 12.624 1.00 0.00 WT2 H ATOM 32679 H2 TIP3 6068 6.958 -10.707 -2.164 1.00 0.00 WT2 H ATOM 32680 OH2 TIP3 6070 -2.915 3.963 -1.623 1.00 0.00 WT2 O ATOM 32681 H1 TIP3 6070 -4.016 9.887 -6.814 1.00 0.00 WT2 H ATOM 32682 H2 TIP3 6070 -3.056 1.929 16.697 1.00 0.00 WT2 H ATOM 32683 OH2 TIP3 6072 0.658 -2.452 -3.928 1.00 0.00 WT2 O ATOM 32684 H1 TIP3 6072 0.145 9.572 -0.942 1.00 0.00 WT2 H ATOM 32685 H2 TIP3 6072 -3.107 -12.452 12.438 1.00 0.00 WT2 H ATOM 32686 OH2 TIP3 6073 2.261 0.159 -2.351 1.00 0.00 WT2 O ATOM 32687 H1 TIP3 6073 23.114 33.742 -24.454 1.00 0.00 WT2 H ATOM 32688 H2 TIP3 6073 0.782 24.099 -10.381 1.00 0.00 WT2 H ATOM 32689 OH2 TIP3 6074 -0.064 -1.707 -0.011 1.00 0.00 WT2 O ATOM 32690 H1 TIP3 6074 -22.547 -1.764 1.046 1.00 0.00 WT2 H ATOM 32691 H2 TIP3 6074 -3.329 -1.638 -0.725 1.00 0.00 WT2 H ATOM 32692 OH2 TIP3 6075 -7.113 -0.671 -3.415 1.00 0.00 WT2 O ATOM 32693 H1 TIP3 6075 -23.215 -7.271 -3.100 1.00 0.00 WT2 H ATOM 32694 H2 TIP3 6075 5.396 20.130 7.712 1.00 0.00 WT2 H ATOM 32695 OH2 TIP3 6077 1.176 1.599 6.416 1.00 0.00 WT2 O ATOM 32696 H1 TIP3 6077 4.004 15.707 -2.057 1.00 0.00 WT2 H ATOM 32697 H2 TIP3 6077 -12.111 -7.231 3.227 1.00 0.00 WT2 H ATOM 32698 OH2 TIP3 6079 0.452 -8.339 0.915 1.00 0.00 WT2 O ATOM 32699 H1 TIP3 6079 1.671 -36.271 13.183 1.00 0.00 WT2 H ATOM 32700 H2 TIP3 6079 1.683 -10.847 1.424 1.00 0.00 WT2 H ATOM 32701 OH2 TIP3 6090 -4.586 3.989 1.419 1.00 0.00 WT2 O ATOM 32702 H1 TIP3 6090 -6.641 -3.285 13.643 1.00 0.00 WT2 H ATOM 32703 H2 TIP3 6090 -4.130 -4.432 -5.628 1.00 0.00 WT2 H ATOM 32704 OH2 TIP3 6091 1.579 -7.523 0.563 1.00 0.00 WT2 O ATOM 32705 H1 TIP3 6091 15.659 1.260 7.368 1.00 0.00 WT2 H ATOM 32706 H2 TIP3 6091 2.148 6.310 7.966 1.00 0.00 WT2 H ATOM 32707 OH2 TIP3 6093 -6.531 -1.357 0.779 1.00 0.00 WT2 O ATOM 32708 H1 TIP3 6093 -0.344 -7.684 24.616 1.00 0.00 WT2 H ATOM 32709 H2 TIP3 6093 -6.396 -3.549 1.004 1.00 0.00 WT2 H ATOM 32710 OH2 TIP3 6095 7.195 1.376 2.949 1.00 0.00 WT2 O ATOM 32711 H1 TIP3 6095 11.103 10.580 7.935 1.00 0.00 WT2 H ATOM 32712 H2 TIP3 6095 -8.318 -11.496 3.256 1.00 0.00 WT2 H ATOM 32713 OH2 TIP3 6096 5.817 -4.377 -0.982 1.00 0.00 WT2 O ATOM 32714 H1 TIP3 6096 4.768 -8.092 -7.460 1.00 0.00 WT2 H ATOM 32715 H2 TIP3 6096 6.978 -8.366 4.628 1.00 0.00 WT2 H ATOM 32716 OH2 TIP3 6097 -1.061 0.308 2.460 1.00 0.00 WT2 O ATOM 32717 H1 TIP3 6097 -1.199 -9.738 17.559 1.00 0.00 WT2 H ATOM 32718 H2 TIP3 6097 16.136 13.563 -18.371 1.00 0.00 WT2 H ATOM 32719 OH2 TIP3 6098 2.851 -4.544 -3.830 1.00 0.00 WT2 O ATOM 32720 H1 TIP3 6098 -29.703 -1.297 16.256 1.00 0.00 WT2 H ATOM 32721 H2 TIP3 6098 -0.866 -11.113 -29.778 1.00 0.00 WT2 H ATOM 32722 OH2 TIP3 6100 -1.280 6.801 0.535 1.00 0.00 WT2 O ATOM 32723 H1 TIP3 6100 3.657 8.404 3.580 1.00 0.00 WT2 H ATOM 32724 H2 TIP3 6100 -15.011 4.485 8.743 1.00 0.00 WT2 H ATOM 32725 OH2 TIP3 6102 3.550 1.591 3.083 1.00 0.00 WT2 O ATOM 32726 H1 TIP3 6102 15.308 1.393 4.068 1.00 0.00 WT2 H ATOM 32727 H2 TIP3 6102 -13.726 -9.015 -0.351 1.00 0.00 WT2 H ATOM 32728 OH2 TIP3 6110 2.872 -3.306 -1.785 1.00 0.00 WT2 O ATOM 32729 H1 TIP3 6110 7.973 -9.204 1.949 1.00 0.00 WT2 H ATOM 32730 H2 TIP3 6110 8.350 6.555 -4.907 1.00 0.00 WT2 H ATOM 32731 OH2 TIP3 6112 -1.458 5.401 -1.726 1.00 0.00 WT2 O ATOM 32732 H1 TIP3 6112 -20.807 12.539 -6.221 1.00 0.00 WT2 H ATOM 32733 H2 TIP3 6112 19.800 -3.540 1.870 1.00 0.00 WT2 H ATOM 32734 OH2 TIP3 6113 -3.265 -1.918 -0.843 1.00 0.00 WT2 O ATOM 32735 H1 TIP3 6113 4.151 7.864 9.718 1.00 0.00 WT2 H ATOM 32736 H2 TIP3 6113 -7.890 -32.968 -10.284 1.00 0.00 WT2 H ATOM 32737 OH2 TIP3 6115 -6.725 -2.030 -4.925 1.00 0.00 WT2 O ATOM 32738 H1 TIP3 6115 -6.094 4.725 0.210 1.00 0.00 WT2 H ATOM 32739 H2 TIP3 6115 1.089 -0.544 -1.759 1.00 0.00 WT2 H ATOM 32740 OH2 TIP3 6116 -4.125 -1.095 4.460 1.00 0.00 WT2 O ATOM 32741 H1 TIP3 6116 0.434 -0.897 2.275 1.00 0.00 WT2 H ATOM 32742 H2 TIP3 6116 -5.729 4.958 16.834 1.00 0.00 WT2 H ATOM 32743 OH2 TIP3 6117 -5.962 6.794 1.543 1.00 0.00 WT2 O ATOM 32744 H1 TIP3 6117 26.018 14.669 -8.197 1.00 0.00 WT2 H ATOM 32745 H2 TIP3 6117 -24.931 34.918 -3.945 1.00 0.00 WT2 H ATOM 32746 OH2 TIP3 6120 3.488 5.550 5.243 1.00 0.00 WT2 O ATOM 32747 H1 TIP3 6120 11.987 5.769 -3.378 1.00 0.00 WT2 H ATOM 32748 H2 TIP3 6120 5.822 4.255 4.756 1.00 0.00 WT2 H ATOM 32749 OH2 TIP3 6132 4.333 0.336 -3.961 1.00 0.00 WT2 O ATOM 32750 H1 TIP3 6132 9.214 -1.642 3.309 1.00 0.00 WT2 H ATOM 32751 H2 TIP3 6132 9.560 2.740 -0.701 1.00 0.00 WT2 H ATOM 32752 OH2 TIP3 6133 1.780 -6.063 -3.654 1.00 0.00 WT2 O ATOM 32753 H1 TIP3 6133 7.541 -4.077 -20.064 1.00 0.00 WT2 H ATOM 32754 H2 TIP3 6133 12.537 -9.374 -25.152 1.00 0.00 WT2 H ATOM 32755 OH2 TIP3 6134 -0.831 -3.104 0.518 1.00 0.00 WT2 O ATOM 32756 H1 TIP3 6134 16.714 1.547 1.012 1.00 0.00 WT2 H ATOM 32757 H2 TIP3 6134 -5.831 -14.471 -5.135 1.00 0.00 WT2 H ATOM 32758 OH2 TIP3 6136 -10.887 -1.337 -8.543 1.00 0.00 WT2 O ATOM 32759 H1 TIP3 6136 -12.808 -14.934 -0.371 1.00 0.00 WT2 H ATOM 32760 H2 TIP3 6136 -7.520 9.356 2.561 1.00 0.00 WT2 H ATOM 32761 OH2 TIP3 6137 -8.588 7.571 -2.679 1.00 0.00 WT2 O ATOM 32762 H1 TIP3 6137 -15.373 10.497 1.258 1.00 0.00 WT2 H ATOM 32763 H2 TIP3 6137 -8.277 7.349 -2.967 1.00 0.00 WT2 H ATOM 32764 OH2 TIP3 6138 0.257 -1.293 2.725 1.00 0.00 WT2 O ATOM 32765 H1 TIP3 6138 9.353 -0.663 -10.569 1.00 0.00 WT2 H ATOM 32766 H2 TIP3 6138 1.117 -2.893 -21.917 1.00 0.00 WT2 H ATOM 32767 OH2 TIP3 6141 -0.503 1.760 -6.610 1.00 0.00 WT2 O ATOM 32768 H1 TIP3 6141 -10.489 15.129 -26.819 1.00 0.00 WT2 H ATOM 32769 H2 TIP3 6141 0.942 6.113 3.719 1.00 0.00 WT2 H ATOM 32770 OH2 TIP3 6155 -9.091 -0.182 -0.528 1.00 0.00 WT2 O ATOM 32771 H1 TIP3 6155 6.077 3.980 -5.629 1.00 0.00 WT2 H ATOM 32772 H2 TIP3 6155 -40.838 -8.244 10.092 1.00 0.00 WT2 H ATOM 32773 OH2 TIP3 6158 -3.668 4.309 0.762 1.00 0.00 WT2 O ATOM 32774 H1 TIP3 6158 -10.292 2.006 15.095 1.00 0.00 WT2 H ATOM 32775 H2 TIP3 6158 3.795 -1.115 4.743 1.00 0.00 WT2 H ATOM 32776 OH2 TIP3 6159 -2.823 7.688 5.238 1.00 0.00 WT2 O ATOM 32777 H1 TIP3 6159 6.333 -5.215 37.197 1.00 0.00 WT2 H ATOM 32778 H2 TIP3 6159 -3.408 6.800 -0.508 1.00 0.00 WT2 H ATOM 32779 OH2 TIP3 6160 1.569 8.284 -3.465 1.00 0.00 WT2 O ATOM 32780 H1 TIP3 6160 5.111 9.847 -1.939 1.00 0.00 WT2 H ATOM 32781 H2 TIP3 6160 1.258 11.997 -9.200 1.00 0.00 WT2 H ATOM 32782 OH2 TIP3 6162 2.036 3.286 2.435 1.00 0.00 WT2 O ATOM 32783 H1 TIP3 6162 3.287 15.231 -9.547 1.00 0.00 WT2 H ATOM 32784 H2 TIP3 6162 2.209 -11.901 -6.571 1.00 0.00 WT2 H ATOM 32785 OH2 TIP3 6176 0.286 3.080 0.639 1.00 0.00 WT2 O ATOM 32786 H1 TIP3 6176 0.374 3.857 0.201 1.00 0.00 WT2 H ATOM 32787 H2 TIP3 6176 0.076 3.764 -1.885 1.00 0.00 WT2 H ATOM 32788 OH2 TIP3 6177 -0.267 2.654 -5.724 1.00 0.00 WT2 O ATOM 32789 H1 TIP3 6177 -18.845 -23.127 -14.770 1.00 0.00 WT2 H ATOM 32790 H2 TIP3 6177 -15.157 -14.147 -9.959 1.00 0.00 WT2 H ATOM 32791 OH2 TIP3 6178 1.305 -6.082 -1.519 1.00 0.00 WT2 O ATOM 32792 H1 TIP3 6178 14.533 -10.946 -4.605 1.00 0.00 WT2 H ATOM 32793 H2 TIP3 6178 -9.193 -9.088 -13.116 1.00 0.00 WT2 H ATOM 32794 OH2 TIP3 6181 -0.179 3.038 2.829 1.00 0.00 WT2 O ATOM 32795 H1 TIP3 6181 3.885 3.497 17.076 1.00 0.00 WT2 H ATOM 32796 H2 TIP3 6181 5.028 0.073 15.999 1.00 0.00 WT2 H ATOM 32797 OH2 TIP3 6182 7.159 -7.466 -2.964 1.00 0.00 WT2 O ATOM 32798 H1 TIP3 6182 -6.217 -21.609 -2.558 1.00 0.00 WT2 H ATOM 32799 H2 TIP3 6182 -7.664 2.968 -6.330 1.00 0.00 WT2 H ATOM 32800 OH2 TIP3 6183 0.087 -5.416 -2.016 1.00 0.00 WT2 O ATOM 32801 H1 TIP3 6183 -0.898 -4.360 1.136 1.00 0.00 WT2 H ATOM 32802 H2 TIP3 6183 2.710 -4.804 -8.499 1.00 0.00 WT2 H ATOM 32803 OH2 TIP3 6190 3.761 3.941 4.397 1.00 0.00 WT2 O ATOM 32804 H1 TIP3 6190 7.753 14.824 12.765 1.00 0.00 WT2 H ATOM 32805 H2 TIP3 6190 3.151 -2.780 -0.086 1.00 0.00 WT2 H ATOM 32806 OH2 TIP3 6195 -0.785 6.848 -1.478 1.00 0.00 WT2 O ATOM 32807 H1 TIP3 6195 5.947 7.961 -5.654 1.00 0.00 WT2 H ATOM 32808 H2 TIP3 6195 -7.287 15.821 5.391 1.00 0.00 WT2 H ATOM 32809 OH2 TIP3 6197 0.672 -1.208 -3.228 1.00 0.00 WT2 O ATOM 32810 H1 TIP3 6197 -2.772 3.468 1.390 1.00 0.00 WT2 H ATOM 32811 H2 TIP3 6197 -12.204 14.396 0.454 1.00 0.00 WT2 H ATOM 32812 OH2 TIP3 6198 1.224 -1.545 0.542 1.00 0.00 WT2 O ATOM 32813 H1 TIP3 6198 8.161 6.196 17.562 1.00 0.00 WT2 H ATOM 32814 H2 TIP3 6198 -14.185 6.722 2.878 1.00 0.00 WT2 H ATOM 32815 OH2 TIP3 6200 5.428 6.917 -5.217 1.00 0.00 WT2 O ATOM 32816 H1 TIP3 6200 -12.340 -10.874 3.572 1.00 0.00 WT2 H ATOM 32817 H2 TIP3 6200 7.135 13.240 -1.960 1.00 0.00 WT2 H ATOM 32818 OH2 TIP3 6201 4.587 -0.224 0.478 1.00 0.00 WT2 O ATOM 32819 H1 TIP3 6201 -1.384 -11.994 -4.908 1.00 0.00 WT2 H ATOM 32820 H2 TIP3 6201 16.849 -6.409 -9.346 1.00 0.00 WT2 H ATOM 32821 OH2 TIP3 6215 -1.159 8.234 -6.593 1.00 0.00 WT2 O ATOM 32822 H1 TIP3 6215 18.420 -3.555 -6.545 1.00 0.00 WT2 H ATOM 32823 H2 TIP3 6215 -9.207 3.968 -2.046 1.00 0.00 WT2 H ATOM 32824 OH2 TIP3 6216 3.318 -0.485 3.940 1.00 0.00 WT2 O ATOM 32825 H1 TIP3 6216 -2.239 2.770 4.488 1.00 0.00 WT2 H ATOM 32826 H2 TIP3 6216 5.633 1.165 7.331 1.00 0.00 WT2 H ATOM 32827 OH2 TIP3 6218 5.748 -3.800 7.071 1.00 0.00 WT2 O ATOM 32828 H1 TIP3 6218 -19.127 16.817 -15.661 1.00 0.00 WT2 H ATOM 32829 H2 TIP3 6218 20.801 1.410 7.331 1.00 0.00 WT2 H ATOM 32830 OH2 TIP3 6219 1.228 6.946 2.807 1.00 0.00 WT2 O ATOM 32831 H1 TIP3 6219 1.071 -1.241 10.671 1.00 0.00 WT2 H ATOM 32832 H2 TIP3 6219 -4.207 7.277 -0.528 1.00 0.00 WT2 H ATOM 32833 OH2 TIP3 6220 7.929 0.924 3.497 1.00 0.00 WT2 O ATOM 32834 H1 TIP3 6220 -3.591 -9.549 -9.614 1.00 0.00 WT2 H ATOM 32835 H2 TIP3 6220 -16.215 -11.625 27.772 1.00 0.00 WT2 H ATOM 32836 OH2 TIP3 6221 -4.139 -3.491 -0.731 1.00 0.00 WT2 O ATOM 32837 H1 TIP3 6221 -3.635 -5.587 6.623 1.00 0.00 WT2 H ATOM 32838 H2 TIP3 6221 -2.152 3.783 -14.900 1.00 0.00 WT2 H ATOM 32839 OH2 TIP3 6225 -13.991 -9.827 0.143 1.00 0.00 WT2 O ATOM 32840 H1 TIP3 6225 4.330 3.943 3.803 1.00 0.00 WT2 H ATOM 32841 H2 TIP3 6225 -27.300 -3.096 10.385 1.00 0.00 WT2 H ATOM 32842 OH2 TIP3 6238 5.284 3.624 -1.673 1.00 0.00 WT2 O ATOM 32843 H1 TIP3 6238 3.644 14.365 -3.575 1.00 0.00 WT2 H ATOM 32844 H2 TIP3 6238 10.503 21.340 -1.629 1.00 0.00 WT2 H ATOM 32845 OH2 TIP3 6240 -1.120 -2.851 -3.714 1.00 0.00 WT2 O ATOM 32846 H1 TIP3 6240 16.193 1.794 -29.189 1.00 0.00 WT2 H ATOM 32847 H2 TIP3 6240 1.121 1.570 -8.343 1.00 0.00 WT2 H ATOM 32848 OH2 TIP3 6241 1.996 -4.210 1.700 1.00 0.00 WT2 O ATOM 32849 H1 TIP3 6241 -6.539 4.513 -1.130 1.00 0.00 WT2 H ATOM 32850 H2 TIP3 6241 4.606 -8.878 4.962 1.00 0.00 WT2 H ATOM 32851 OH2 TIP3 6242 -1.528 2.579 -2.329 1.00 0.00 WT2 O ATOM 32852 H1 TIP3 6242 9.913 -15.471 -3.855 1.00 0.00 WT2 H ATOM 32853 H2 TIP3 6242 -21.284 -15.487 6.598 1.00 0.00 WT2 H ATOM 32854 OH2 TIP3 6243 6.235 -1.073 2.246 1.00 0.00 WT2 O ATOM 32855 H1 TIP3 6243 20.899 5.286 8.438 1.00 0.00 WT2 H ATOM 32856 H2 TIP3 6243 -3.397 -2.205 -22.604 1.00 0.00 WT2 H ATOM 32857 OH2 TIP3 6245 -0.467 -1.976 -1.424 1.00 0.00 WT2 O ATOM 32858 H1 TIP3 6245 1.846 -34.708 5.537 1.00 0.00 WT2 H ATOM 32859 H2 TIP3 6245 4.036 -6.305 9.385 1.00 0.00 WT2 H ATOM 32860 OH2 TIP3 6246 -2.548 2.736 4.651 1.00 0.00 WT2 O ATOM 32861 H1 TIP3 6246 -2.647 -2.440 9.851 1.00 0.00 WT2 H ATOM 32862 H2 TIP3 6246 -11.604 9.086 1.548 1.00 0.00 WT2 H ATOM 32863 OH2 TIP3 6256 -1.656 0.559 0.796 1.00 0.00 WT2 O ATOM 32864 H1 TIP3 6256 9.991 -2.531 -13.362 1.00 0.00 WT2 H ATOM 32865 H2 TIP3 6256 -9.467 5.186 1.486 1.00 0.00 WT2 H ATOM 32866 OH2 TIP3 6258 3.097 -5.561 6.556 1.00 0.00 WT2 O ATOM 32867 H1 TIP3 6258 3.604 17.810 -5.381 1.00 0.00 WT2 H ATOM 32868 H2 TIP3 6258 -11.814 -20.994 -9.938 1.00 0.00 WT2 H ATOM 32869 OH2 TIP3 6259 -6.931 -1.707 -4.403 1.00 0.00 WT2 O ATOM 32870 H1 TIP3 6259 -14.000 -3.782 4.502 1.00 0.00 WT2 H ATOM 32871 H2 TIP3 6259 4.939 1.199 -18.745 1.00 0.00 WT2 H ATOM 32872 OH2 TIP3 6261 -1.847 2.865 0.362 1.00 0.00 WT2 O ATOM 32873 H1 TIP3 6261 11.240 24.429 -22.130 1.00 0.00 WT2 H ATOM 32874 H2 TIP3 6261 5.717 -22.147 32.215 1.00 0.00 WT2 H ATOM 32875 OH2 TIP3 6263 -1.811 -7.881 -0.275 1.00 0.00 WT2 O ATOM 32876 H1 TIP3 6263 1.258 16.492 -11.105 1.00 0.00 WT2 H ATOM 32877 H2 TIP3 6263 20.659 14.486 4.404 1.00 0.00 WT2 H ATOM 32878 OH2 TIP3 6264 -2.901 -1.599 6.324 1.00 0.00 WT2 O ATOM 32879 H1 TIP3 6264 -1.366 5.628 14.432 1.00 0.00 WT2 H ATOM 32880 H2 TIP3 6264 2.121 12.030 20.283 1.00 0.00 WT2 H ATOM 32881 OH2 TIP3 6269 -5.425 -8.150 -1.416 1.00 0.00 WT2 O ATOM 32882 H1 TIP3 6269 1.662 12.440 12.572 1.00 0.00 WT2 H ATOM 32883 H2 TIP3 6269 6.413 11.652 -1.200 1.00 0.00 WT2 H ATOM 32884 OH2 TIP3 6281 -6.884 -0.276 -1.095 1.00 0.00 WT2 O ATOM 32885 H1 TIP3 6281 17.090 1.621 -13.547 1.00 0.00 WT2 H ATOM 32886 H2 TIP3 6281 -18.483 -20.742 -13.480 1.00 0.00 WT2 H ATOM 32887 OH2 TIP3 6283 1.291 -4.293 5.124 1.00 0.00 WT2 O ATOM 32888 H1 TIP3 6283 -6.275 -5.837 -9.490 1.00 0.00 WT2 H ATOM 32889 H2 TIP3 6283 5.102 5.933 -3.935 1.00 0.00 WT2 H ATOM 32890 OH2 TIP3 6284 4.645 -3.881 3.289 1.00 0.00 WT2 O ATOM 32891 H1 TIP3 6284 9.305 4.756 20.725 1.00 0.00 WT2 H ATOM 32892 H2 TIP3 6284 -8.062 1.915 16.403 1.00 0.00 WT2 H ATOM 32893 OH2 TIP3 6285 2.361 1.686 -0.840 1.00 0.00 WT2 O ATOM 32894 H1 TIP3 6285 -10.196 -3.767 14.046 1.00 0.00 WT2 H ATOM 32895 H2 TIP3 6285 -14.720 -5.954 19.926 1.00 0.00 WT2 H ATOM 32896 OH2 TIP3 6286 -2.279 2.663 3.405 1.00 0.00 WT2 O ATOM 32897 H1 TIP3 6286 18.071 -12.181 -4.579 1.00 0.00 WT2 H ATOM 32898 H2 TIP3 6286 12.746 41.139 3.054 1.00 0.00 WT2 H ATOM 32899 OH2 TIP3 6288 -3.497 -1.853 -1.616 1.00 0.00 WT2 O ATOM 32900 H1 TIP3 6288 -5.176 -18.217 -2.756 1.00 0.00 WT2 H ATOM 32901 H2 TIP3 6288 8.716 -17.290 -20.985 1.00 0.00 WT2 H ATOM 32902 OH2 TIP3 6297 -1.976 0.987 -4.922 1.00 0.00 WT2 O ATOM 32903 H1 TIP3 6297 -32.844 -21.521 -0.140 1.00 0.00 WT2 H ATOM 32904 H2 TIP3 6297 19.615 -23.557 -25.443 1.00 0.00 WT2 H ATOM 32905 OH2 TIP3 6300 0.913 -3.666 4.258 1.00 0.00 WT2 O ATOM 32906 H1 TIP3 6300 14.655 -6.411 -3.529 1.00 0.00 WT2 H ATOM 32907 H2 TIP3 6300 -9.813 -10.489 -19.174 1.00 0.00 WT2 H ATOM 32908 OH2 TIP3 6302 1.603 1.518 0.623 1.00 0.00 WT2 O ATOM 32909 H1 TIP3 6302 5.367 7.473 -5.646 1.00 0.00 WT2 H ATOM 32910 H2 TIP3 6302 5.387 4.963 6.474 1.00 0.00 WT2 H ATOM 32911 OH2 TIP3 6303 -0.370 -1.057 0.123 1.00 0.00 WT2 O ATOM 32912 H1 TIP3 6303 8.050 2.508 0.889 1.00 0.00 WT2 H ATOM 32913 H2 TIP3 6303 -9.119 -4.974 1.789 1.00 0.00 WT2 H ATOM 32914 OH2 TIP3 6305 0.132 -2.075 -1.747 1.00 0.00 WT2 O ATOM 32915 H1 TIP3 6305 -3.819 12.646 -1.795 1.00 0.00 WT2 H ATOM 32916 H2 TIP3 6305 -9.319 -21.368 -35.647 1.00 0.00 WT2 H ATOM 32917 OH2 TIP3 6309 -0.257 2.390 -3.137 1.00 0.00 WT2 O ATOM 32918 H1 TIP3 6309 -17.561 -21.146 23.354 1.00 0.00 WT2 H ATOM 32919 H2 TIP3 6309 6.467 12.209 -6.678 1.00 0.00 WT2 H ATOM 32920 OH2 TIP3 6311 -1.847 -6.162 -2.717 1.00 0.00 WT2 O ATOM 32921 H1 TIP3 6311 1.843 4.256 18.420 1.00 0.00 WT2 H ATOM 32922 H2 TIP3 6311 -3.276 -28.068 -6.821 1.00 0.00 WT2 H ATOM 32923 OH2 TIP3 6319 2.232 1.595 1.403 1.00 0.00 WT2 O ATOM 32924 H1 TIP3 6319 1.864 5.963 8.263 1.00 0.00 WT2 H ATOM 32925 H2 TIP3 6319 11.107 7.543 2.681 1.00 0.00 WT2 H ATOM 32926 OH2 TIP3 6321 2.521 6.248 -1.765 1.00 0.00 WT2 O ATOM 32927 H1 TIP3 6321 5.537 2.984 5.113 1.00 0.00 WT2 H ATOM 32928 H2 TIP3 6321 10.389 7.065 -5.964 1.00 0.00 WT2 H ATOM 32929 OH2 TIP3 6322 -2.673 2.292 4.892 1.00 0.00 WT2 O ATOM 32930 H1 TIP3 6322 11.911 13.730 -15.562 1.00 0.00 WT2 H ATOM 32931 H2 TIP3 6322 -4.221 -2.571 5.038 1.00 0.00 WT2 H ATOM 32932 OH2 TIP3 6323 7.319 -7.506 3.619 1.00 0.00 WT2 O ATOM 32933 H1 TIP3 6323 -6.882 8.060 13.563 1.00 0.00 WT2 H ATOM 32934 H2 TIP3 6323 14.186 -4.175 8.746 1.00 0.00 WT2 H ATOM 32935 OH2 TIP3 6324 1.874 0.285 -0.750 1.00 0.00 WT2 O ATOM 32936 H1 TIP3 6324 -16.378 -20.676 -7.991 1.00 0.00 WT2 H ATOM 32937 H2 TIP3 6324 6.752 8.706 9.090 1.00 0.00 WT2 H ATOM 32938 OH2 TIP3 6325 -2.521 0.452 0.074 1.00 0.00 WT2 O ATOM 32939 H1 TIP3 6325 -6.657 5.218 -1.853 1.00 0.00 WT2 H ATOM 32940 H2 TIP3 6325 -2.211 -10.038 6.767 1.00 0.00 WT2 H ATOM 32941 OH2 TIP3 6326 1.306 2.855 2.207 1.00 0.00 WT2 O ATOM 32942 H1 TIP3 6326 4.094 -0.495 9.909 1.00 0.00 WT2 H ATOM 32943 H2 TIP3 6326 -3.525 4.051 -7.215 1.00 0.00 WT2 H ATOM 32944 OH2 TIP3 6328 1.653 -5.701 -5.554 1.00 0.00 WT2 O ATOM 32945 H1 TIP3 6328 -6.013 -23.250 -12.340 1.00 0.00 WT2 H ATOM 32946 H2 TIP3 6328 27.369 20.348 -10.969 1.00 0.00 WT2 H ATOM 32947 OH2 TIP3 6329 3.997 1.758 -1.028 1.00 0.00 WT2 O ATOM 32948 H1 TIP3 6329 -0.168 -0.894 1.439 1.00 0.00 WT2 H ATOM 32949 H2 TIP3 6329 10.447 4.636 -4.174 1.00 0.00 WT2 H ATOM 32950 OH2 TIP3 6341 -1.366 -5.104 -1.036 1.00 0.00 WT2 O ATOM 32951 H1 TIP3 6341 -5.793 -8.310 -10.232 1.00 0.00 WT2 H ATOM 32952 H2 TIP3 6341 1.233 0.896 1.104 1.00 0.00 WT2 H ATOM 32953 OH2 TIP3 6345 4.657 6.200 1.337 1.00 0.00 WT2 O ATOM 32954 H1 TIP3 6345 -13.671 6.574 -23.118 1.00 0.00 WT2 H ATOM 32955 H2 TIP3 6345 4.015 28.179 13.797 1.00 0.00 WT2 H ATOM 32956 OH2 TIP3 6347 1.932 6.924 -0.215 1.00 0.00 WT2 O ATOM 32957 H1 TIP3 6347 -3.318 0.133 2.828 1.00 0.00 WT2 H ATOM 32958 H2 TIP3 6347 -1.426 14.526 -4.784 1.00 0.00 WT2 H ATOM 32959 OH2 TIP3 6348 0.117 -2.456 10.681 1.00 0.00 WT2 O ATOM 32960 H1 TIP3 6348 10.316 12.275 26.772 1.00 0.00 WT2 H ATOM 32961 H2 TIP3 6348 -5.058 -23.479 6.232 1.00 0.00 WT2 H ATOM 32962 OH2 TIP3 6353 1.754 -0.668 -5.186 1.00 0.00 WT2 O ATOM 32963 H1 TIP3 6353 11.790 -6.957 8.187 1.00 0.00 WT2 H ATOM 32964 H2 TIP3 6353 -8.983 5.228 -14.838 1.00 0.00 WT2 H ATOM 32965 OH2 TIP3 6357 0.210 0.427 -4.168 1.00 0.00 WT2 O ATOM 32966 H1 TIP3 6357 4.561 19.678 20.132 1.00 0.00 WT2 H ATOM 32967 H2 TIP3 6357 4.699 -1.904 -13.363 1.00 0.00 WT2 H ATOM 32968 OH2 TIP3 6364 -1.964 1.955 -2.622 1.00 0.00 WT2 O ATOM 32969 H1 TIP3 6364 -1.888 1.174 -2.608 1.00 0.00 WT2 H ATOM 32970 H2 TIP3 6364 -5.558 2.577 -0.044 1.00 0.00 WT2 H ATOM 32971 OH2 TIP3 6366 3.563 1.213 0.037 1.00 0.00 WT2 O ATOM 32972 H1 TIP3 6366 4.872 36.139 2.436 1.00 0.00 WT2 H ATOM 32973 H2 TIP3 6366 -4.258 -18.659 -14.478 1.00 0.00 WT2 H ATOM 32974 OH2 TIP3 6368 -3.285 -0.420 2.250 1.00 0.00 WT2 O ATOM 32975 H1 TIP3 6368 -14.050 -2.243 -4.845 1.00 0.00 WT2 H ATOM 32976 H2 TIP3 6368 -6.667 9.605 8.258 1.00 0.00 WT2 H ATOM 32977 OH2 TIP3 6369 -0.301 -3.705 -2.069 1.00 0.00 WT2 O ATOM 32978 H1 TIP3 6369 -4.742 -9.965 -13.900 1.00 0.00 WT2 H ATOM 32979 H2 TIP3 6369 -6.142 2.717 -2.307 1.00 0.00 WT2 H ATOM 32980 OH2 TIP3 6381 -6.306 0.329 2.409 1.00 0.00 WT2 O ATOM 32981 H1 TIP3 6381 -4.872 6.706 4.691 1.00 0.00 WT2 H ATOM 32982 H2 TIP3 6381 -3.869 -7.701 5.994 1.00 0.00 WT2 H ATOM 32983 OH2 TIP3 6385 -5.623 2.196 5.715 1.00 0.00 WT2 O ATOM 32984 H1 TIP3 6385 -11.669 12.204 17.381 1.00 0.00 WT2 H ATOM 32985 H2 TIP3 6385 5.176 11.814 -2.039 1.00 0.00 WT2 H ATOM 32986 OH2 TIP3 6388 5.957 3.019 0.445 1.00 0.00 WT2 O ATOM 32987 H1 TIP3 6388 3.853 -6.939 29.126 1.00 0.00 WT2 H ATOM 32988 H2 TIP3 6388 1.080 16.609 17.863 1.00 0.00 WT2 H ATOM 32989 OH2 TIP3 6389 8.158 4.262 4.553 1.00 0.00 WT2 O ATOM 32990 H1 TIP3 6389 0.717 11.961 9.544 1.00 0.00 WT2 H ATOM 32991 H2 TIP3 6389 15.554 31.134 19.284 1.00 0.00 WT2 H ATOM 32992 OH2 TIP3 6390 4.145 -2.122 2.500 1.00 0.00 WT2 O ATOM 32993 H1 TIP3 6390 11.818 1.613 2.908 1.00 0.00 WT2 H ATOM 32994 H2 TIP3 6390 17.489 -6.930 11.640 1.00 0.00 WT2 H ATOM 32995 OH2 TIP3 6403 -6.402 2.152 -3.625 1.00 0.00 WT2 O ATOM 32996 H1 TIP3 6403 -2.892 -8.065 16.442 1.00 0.00 WT2 H ATOM 32997 H2 TIP3 6403 -8.656 -7.856 -19.183 1.00 0.00 WT2 H ATOM 32998 OH2 TIP3 6404 2.250 0.379 0.383 1.00 0.00 WT2 O ATOM 32999 H1 TIP3 6404 1.027 -12.834 9.491 1.00 0.00 WT2 H ATOM 33000 H2 TIP3 6404 5.458 30.250 1.445 1.00 0.00 WT2 H ATOM 33001 OH2 TIP3 6407 -6.787 6.372 4.198 1.00 0.00 WT2 O ATOM 33002 H1 TIP3 6407 11.767 -14.955 -6.799 1.00 0.00 WT2 H ATOM 33003 H2 TIP3 6407 3.776 5.356 0.623 1.00 0.00 WT2 H ATOM 33004 OH2 TIP3 6408 -2.813 -1.385 -0.406 1.00 0.00 WT2 O ATOM 33005 H1 TIP3 6408 6.555 19.969 -4.594 1.00 0.00 WT2 H ATOM 33006 H2 TIP3 6408 -19.942 -1.853 -0.630 1.00 0.00 WT2 H ATOM 33007 OH2 TIP3 6409 -3.324 -1.043 10.268 1.00 0.00 WT2 O ATOM 33008 H1 TIP3 6409 -8.148 7.334 3.797 1.00 0.00 WT2 H ATOM 33009 H2 TIP3 6409 0.700 11.731 6.510 1.00 0.00 WT2 H ATOM 33010 OH2 TIP3 6410 3.837 1.484 -2.529 1.00 0.00 WT2 O ATOM 33011 H1 TIP3 6410 17.548 10.465 -10.991 1.00 0.00 WT2 H ATOM 33012 H2 TIP3 6410 12.027 4.018 -6.345 1.00 0.00 WT2 H ATOM 33013 OH2 TIP3 6412 -7.429 -9.040 -3.184 1.00 0.00 WT2 O ATOM 33014 H1 TIP3 6412 -1.965 -5.185 -8.425 1.00 0.00 WT2 H ATOM 33015 H2 TIP3 6412 -10.422 -4.964 -18.732 1.00 0.00 WT2 H ATOM 33016 OH2 TIP3 6413 -5.925 5.175 0.806 1.00 0.00 WT2 O ATOM 33017 H1 TIP3 6413 22.494 -7.016 -17.591 1.00 0.00 WT2 H ATOM 33018 H2 TIP3 6413 16.596 15.185 -9.210 1.00 0.00 WT2 H ATOM 33019 OH2 TIP3 6417 -2.413 0.514 0.674 1.00 0.00 WT2 O ATOM 33020 H1 TIP3 6417 6.459 3.893 19.187 1.00 0.00 WT2 H ATOM 33021 H2 TIP3 6417 -5.341 -4.287 -0.553 1.00 0.00 WT2 H ATOM 33022 OH2 TIP3 6425 1.805 -6.228 -3.848 1.00 0.00 WT2 O ATOM 33023 H1 TIP3 6425 -0.410 -9.427 -7.555 1.00 0.00 WT2 H ATOM 33024 H2 TIP3 6425 10.887 2.678 -14.756 1.00 0.00 WT2 H ATOM 33025 OH2 TIP3 6428 3.883 -0.636 -1.050 1.00 0.00 WT2 O ATOM 33026 H1 TIP3 6428 9.772 -15.909 9.388 1.00 0.00 WT2 H ATOM 33027 H2 TIP3 6428 -15.715 1.610 4.552 1.00 0.00 WT2 H ATOM 33028 OH2 TIP3 6429 -1.845 1.399 1.059 1.00 0.00 WT2 O ATOM 33029 H1 TIP3 6429 1.172 16.845 34.133 1.00 0.00 WT2 H ATOM 33030 H2 TIP3 6429 35.869 9.541 23.147 1.00 0.00 WT2 H ATOM 33031 OH2 TIP3 6430 0.107 -3.791 4.623 1.00 0.00 WT2 O ATOM 33032 H1 TIP3 6430 -12.370 15.959 18.185 1.00 0.00 WT2 H ATOM 33033 H2 TIP3 6430 -10.193 8.926 22.422 1.00 0.00 WT2 H ATOM 33034 OH2 TIP3 6431 -4.008 -0.376 -0.718 1.00 0.00 WT2 O ATOM 33035 H1 TIP3 6431 3.151 -11.454 -3.877 1.00 0.00 WT2 H ATOM 33036 H2 TIP3 6431 -10.819 14.441 1.224 1.00 0.00 WT2 H ATOM 33037 OH2 TIP3 6433 3.724 -5.450 -2.496 1.00 0.00 WT2 O ATOM 33038 H1 TIP3 6433 -1.238 -6.867 0.906 1.00 0.00 WT2 H ATOM 33039 H2 TIP3 6433 7.674 -2.802 -7.574 1.00 0.00 WT2 H ATOM 33040 OH2 TIP3 6436 -0.851 -1.624 -5.752 1.00 0.00 WT2 O ATOM 33041 H1 TIP3 6436 8.489 5.610 -13.946 1.00 0.00 WT2 H ATOM 33042 H2 TIP3 6436 6.951 10.593 9.240 1.00 0.00 WT2 H ATOM 33043 OH2 TIP3 6444 -1.059 -6.623 7.048 1.00 0.00 WT2 O ATOM 33044 H1 TIP3 6444 18.935 4.009 -3.813 1.00 0.00 WT2 H ATOM 33045 H2 TIP3 6444 3.859 2.730 16.557 1.00 0.00 WT2 H ATOM 33046 OH2 TIP3 6446 -7.662 -4.649 2.252 1.00 0.00 WT2 O ATOM 33047 H1 TIP3 6446 4.386 -7.451 5.372 1.00 0.00 WT2 H ATOM 33048 H2 TIP3 6446 -1.963 4.169 18.678 1.00 0.00 WT2 H ATOM 33049 OH2 TIP3 6450 -10.835 -0.281 0.272 1.00 0.00 WT2 O ATOM 33050 H1 TIP3 6450 -38.764 -14.430 11.630 1.00 0.00 WT2 H ATOM 33051 H2 TIP3 6450 12.510 5.325 -7.336 1.00 0.00 WT2 H ATOM 33052 OH2 TIP3 6452 -9.106 5.080 -2.635 1.00 0.00 WT2 O ATOM 33053 H1 TIP3 6452 4.867 -3.920 -11.706 1.00 0.00 WT2 H ATOM 33054 H2 TIP3 6452 23.497 -1.396 -11.438 1.00 0.00 WT2 H ATOM 33055 OH2 TIP3 6454 -0.726 0.669 -4.885 1.00 0.00 WT2 O ATOM 33056 H1 TIP3 6454 14.926 -10.800 15.791 1.00 0.00 WT2 H ATOM 33057 H2 TIP3 6454 4.483 -2.308 2.671 1.00 0.00 WT2 H ATOM 33058 OH2 TIP3 6455 3.179 5.590 -2.411 1.00 0.00 WT2 O ATOM 33059 H1 TIP3 6455 0.487 21.693 14.825 1.00 0.00 WT2 H ATOM 33060 H2 TIP3 6455 -8.102 15.048 -8.522 1.00 0.00 WT2 H ATOM 33061 OH2 TIP3 6469 2.018 7.547 -2.622 1.00 0.00 WT2 O ATOM 33062 H1 TIP3 6469 13.203 -4.765 -2.083 1.00 0.00 WT2 H ATOM 33063 H2 TIP3 6469 -10.900 -8.954 -5.308 1.00 0.00 WT2 H ATOM 33064 OH2 TIP3 6470 -3.472 4.655 -7.356 1.00 0.00 WT2 O ATOM 33065 H1 TIP3 6470 -2.265 -1.504 -36.533 1.00 0.00 WT2 H ATOM 33066 H2 TIP3 6470 17.400 -13.119 11.934 1.00 0.00 WT2 H ATOM 33067 OH2 TIP3 6471 3.098 6.681 -5.723 1.00 0.00 WT2 O ATOM 33068 H1 TIP3 6471 14.222 16.347 -20.235 1.00 0.00 WT2 H ATOM 33069 H2 TIP3 6471 -2.075 -0.929 -3.081 1.00 0.00 WT2 H ATOM 33070 OH2 TIP3 6472 0.809 -1.192 -2.497 1.00 0.00 WT2 O ATOM 33071 H1 TIP3 6472 1.267 -3.114 -3.229 1.00 0.00 WT2 H ATOM 33072 H2 TIP3 6472 -3.289 1.577 -4.172 1.00 0.00 WT2 H ATOM 33073 OH2 TIP3 6473 -7.614 -2.933 -0.491 1.00 0.00 WT2 O ATOM 33074 H1 TIP3 6473 22.254 -5.966 -4.438 1.00 0.00 WT2 H ATOM 33075 H2 TIP3 6473 -23.340 6.925 12.467 1.00 0.00 WT2 H ATOM 33076 OH2 TIP3 6474 -1.718 -4.788 -2.324 1.00 0.00 WT2 O ATOM 33077 H1 TIP3 6474 5.971 -10.893 -3.808 1.00 0.00 WT2 H ATOM 33078 H2 TIP3 6474 -7.292 2.680 -1.749 1.00 0.00 WT2 H ATOM 33079 OH2 TIP3 6475 -0.691 -0.705 4.172 1.00 0.00 WT2 O ATOM 33080 H1 TIP3 6475 0.456 -7.964 -12.357 1.00 0.00 WT2 H ATOM 33081 H2 TIP3 6475 -11.821 7.622 4.904 1.00 0.00 WT2 H ATOM 33082 OH2 TIP3 6476 1.117 0.379 -5.581 1.00 0.00 WT2 O ATOM 33083 H1 TIP3 6476 13.145 -1.363 -17.250 1.00 0.00 WT2 H ATOM 33084 H2 TIP3 6476 22.916 4.344 12.549 1.00 0.00 WT2 H ATOM 33085 OH2 TIP3 6490 3.774 1.044 -3.567 1.00 0.00 WT2 O ATOM 33086 H1 TIP3 6490 30.411 16.039 -8.736 1.00 0.00 WT2 H ATOM 33087 H2 TIP3 6490 -4.782 -8.937 -13.786 1.00 0.00 WT2 H ATOM 33088 OH2 TIP3 6491 3.766 -5.855 3.594 1.00 0.00 WT2 O ATOM 33089 H1 TIP3 6491 6.952 -3.633 4.712 1.00 0.00 WT2 H ATOM 33090 H2 TIP3 6491 -9.324 -13.460 -3.800 1.00 0.00 WT2 H ATOM 33091 OH2 TIP3 6492 -7.391 -7.378 1.896 1.00 0.00 WT2 O ATOM 33092 H1 TIP3 6492 6.621 8.353 14.915 1.00 0.00 WT2 H ATOM 33093 H2 TIP3 6492 -8.976 -26.242 -7.216 1.00 0.00 WT2 H ATOM 33094 OH2 TIP3 6493 -4.534 -1.420 -4.490 1.00 0.00 WT2 O ATOM 33095 H1 TIP3 6493 -11.064 -4.599 11.228 1.00 0.00 WT2 H ATOM 33096 H2 TIP3 6493 13.726 -22.246 9.977 1.00 0.00 WT2 H ATOM 33097 OH2 TIP3 6497 -1.485 3.102 0.080 1.00 0.00 WT2 O ATOM 33098 H1 TIP3 6497 -18.609 4.582 -8.336 1.00 0.00 WT2 H ATOM 33099 H2 TIP3 6497 -13.198 -3.003 -32.714 1.00 0.00 WT2 H ATOM 33100 OH2 TIP3 6499 -2.008 4.879 2.163 1.00 0.00 WT2 O ATOM 33101 H1 TIP3 6499 26.865 -19.203 14.946 1.00 0.00 WT2 H ATOM 33102 H2 TIP3 6499 -18.625 11.301 -3.467 1.00 0.00 WT2 H ATOM 33103 OH2 TIP3 6509 2.605 3.755 3.530 1.00 0.00 WT2 O ATOM 33104 H1 TIP3 6509 -6.842 12.807 6.879 1.00 0.00 WT2 H ATOM 33105 H2 TIP3 6509 -3.128 -7.979 4.982 1.00 0.00 WT2 H ATOM 33106 OH2 TIP3 6512 0.348 -0.502 -0.869 1.00 0.00 WT2 O ATOM 33107 H1 TIP3 6512 -2.716 2.487 6.268 1.00 0.00 WT2 H ATOM 33108 H2 TIP3 6512 -3.695 9.584 -3.700 1.00 0.00 WT2 H ATOM 33109 OH2 TIP3 6513 -4.702 -2.903 1.288 1.00 0.00 WT2 O ATOM 33110 H1 TIP3 6513 -11.032 6.137 4.438 1.00 0.00 WT2 H ATOM 33111 H2 TIP3 6513 -11.200 -9.938 -3.481 1.00 0.00 WT2 H ATOM 33112 OH2 TIP3 6514 1.651 -0.737 3.759 1.00 0.00 WT2 O ATOM 33113 H1 TIP3 6514 -2.812 4.907 1.907 1.00 0.00 WT2 H ATOM 33114 H2 TIP3 6514 -10.268 1.961 13.710 1.00 0.00 WT2 H ATOM 33115 OH2 TIP3 6515 2.818 -1.408 2.903 1.00 0.00 WT2 O ATOM 33116 H1 TIP3 6515 10.719 3.338 5.343 1.00 0.00 WT2 H ATOM 33117 H2 TIP3 6515 9.588 -6.646 0.945 1.00 0.00 WT2 H ATOM 33118 OH2 TIP3 6516 -0.647 -5.880 -5.111 1.00 0.00 WT2 O ATOM 33119 H1 TIP3 6516 11.979 5.760 -5.203 1.00 0.00 WT2 H ATOM 33120 H2 TIP3 6516 2.937 7.737 0.377 1.00 0.00 WT2 H ATOM 33121 OH2 TIP3 6519 -0.921 -0.330 -2.073 1.00 0.00 WT2 O ATOM 33122 H1 TIP3 6519 2.721 2.237 3.974 1.00 0.00 WT2 H ATOM 33123 H2 TIP3 6519 0.005 -7.511 -13.334 1.00 0.00 WT2 H ATOM 33124 OH2 TIP3 6528 2.730 0.913 0.404 1.00 0.00 WT2 O ATOM 33125 H1 TIP3 6528 -15.208 6.959 4.883 1.00 0.00 WT2 H ATOM 33126 H2 TIP3 6528 -13.172 -7.889 -13.305 1.00 0.00 WT2 H ATOM 33127 OH2 TIP3 6534 -1.065 -1.219 -8.576 1.00 0.00 WT2 O ATOM 33128 H1 TIP3 6534 -3.894 -18.955 2.383 1.00 0.00 WT2 H ATOM 33129 H2 TIP3 6534 -13.575 -5.004 12.141 1.00 0.00 WT2 H ATOM 33130 OH2 TIP3 6535 0.010 -1.979 5.195 1.00 0.00 WT2 O ATOM 33131 H1 TIP3 6535 21.930 -0.140 -32.259 1.00 0.00 WT2 H ATOM 33132 H2 TIP3 6535 -6.291 -8.249 8.749 1.00 0.00 WT2 H ATOM 33133 OH2 TIP3 6536 -1.597 -2.348 -1.891 1.00 0.00 WT2 O ATOM 33134 H1 TIP3 6536 -3.691 -0.620 -3.836 1.00 0.00 WT2 H ATOM 33135 H2 TIP3 6536 27.887 -15.053 26.261 1.00 0.00 WT2 H ATOM 33136 OH2 TIP3 6537 0.091 0.716 0.939 1.00 0.00 WT2 O ATOM 33137 H1 TIP3 6537 -18.254 0.036 -9.377 1.00 0.00 WT2 H ATOM 33138 H2 TIP3 6537 -25.149 -4.620 -15.597 1.00 0.00 WT2 H ATOM 33139 OH2 TIP3 6538 0.968 -0.566 -4.285 1.00 0.00 WT2 O ATOM 33140 H1 TIP3 6538 -5.037 -2.917 -16.212 1.00 0.00 WT2 H ATOM 33141 H2 TIP3 6538 -2.472 22.698 -29.724 1.00 0.00 WT2 H ATOM 33142 OH2 TIP3 6549 4.136 -0.784 6.506 1.00 0.00 WT2 O ATOM 33143 H1 TIP3 6549 27.748 7.826 -16.226 1.00 0.00 WT2 H ATOM 33144 H2 TIP3 6549 -21.958 -12.261 -11.082 1.00 0.00 WT2 H ATOM 33145 OH2 TIP3 6551 -1.419 -0.813 -0.683 1.00 0.00 WT2 O ATOM 33146 H1 TIP3 6551 12.917 -5.236 -18.153 1.00 0.00 WT2 H ATOM 33147 H2 TIP3 6551 3.246 -7.386 8.236 1.00 0.00 WT2 H ATOM 33148 OH2 TIP3 6552 1.096 1.351 -7.590 1.00 0.00 WT2 O ATOM 33149 H1 TIP3 6552 8.224 -8.482 -2.244 1.00 0.00 WT2 H ATOM 33150 H2 TIP3 6552 -8.286 -4.255 -19.471 1.00 0.00 WT2 H ATOM 33151 OH2 TIP3 6555 2.799 1.592 -6.605 1.00 0.00 WT2 O ATOM 33152 H1 TIP3 6555 14.791 -8.531 -8.236 1.00 0.00 WT2 H ATOM 33153 H2 TIP3 6555 -0.605 -0.503 -0.953 1.00 0.00 WT2 H ATOM 33154 OH2 TIP3 6556 -3.153 2.686 0.752 1.00 0.00 WT2 O ATOM 33155 H1 TIP3 6556 22.703 -20.313 3.239 1.00 0.00 WT2 H ATOM 33156 H2 TIP3 6556 -4.460 -1.388 6.729 1.00 0.00 WT2 H ATOM 33157 OH2 TIP3 6559 -6.017 3.705 -0.987 1.00 0.00 WT2 O ATOM 33158 H1 TIP3 6559 -4.193 -8.677 3.576 1.00 0.00 WT2 H ATOM 33159 H2 TIP3 6559 8.793 8.751 -28.898 1.00 0.00 WT2 H ATOM 33160 OH2 TIP3 6560 1.247 8.129 8.478 1.00 0.00 WT2 O ATOM 33161 H1 TIP3 6560 -2.363 3.647 1.314 1.00 0.00 WT2 H ATOM 33162 H2 TIP3 6560 -2.016 12.265 3.404 1.00 0.00 WT2 H ATOM 33163 OH2 TIP3 6575 -4.398 -2.165 -0.624 1.00 0.00 WT2 O ATOM 33164 H1 TIP3 6575 -10.214 -7.211 1.439 1.00 0.00 WT2 H ATOM 33165 H2 TIP3 6575 3.767 -5.409 6.738 1.00 0.00 WT2 H ATOM 33166 OH2 TIP3 6576 -6.755 -3.369 0.202 1.00 0.00 WT2 O ATOM 33167 H1 TIP3 6576 5.772 6.064 4.628 1.00 0.00 WT2 H ATOM 33168 H2 TIP3 6576 -7.395 -7.529 -0.351 1.00 0.00 WT2 H ATOM 33169 OH2 TIP3 6577 1.684 5.728 -1.578 1.00 0.00 WT2 O ATOM 33170 H1 TIP3 6577 12.770 10.761 15.138 1.00 0.00 WT2 H ATOM 33171 H2 TIP3 6577 3.964 -0.746 -10.428 1.00 0.00 WT2 H ATOM 33172 OH2 TIP3 6579 -1.309 -1.633 1.506 1.00 0.00 WT2 O ATOM 33173 H1 TIP3 6579 3.205 -5.540 10.186 1.00 0.00 WT2 H ATOM 33174 H2 TIP3 6579 -3.379 -9.656 -6.366 1.00 0.00 WT2 H ATOM 33175 OH2 TIP3 6580 -3.703 0.714 -0.808 1.00 0.00 WT2 O ATOM 33176 H1 TIP3 6580 -2.060 38.814 -22.992 1.00 0.00 WT2 H ATOM 33177 H2 TIP3 6580 -8.252 9.567 -5.527 1.00 0.00 WT2 H ATOM 33178 OH2 TIP3 6595 -4.184 4.022 -6.025 1.00 0.00 WT2 O ATOM 33179 H1 TIP3 6595 -9.263 2.555 -4.549 1.00 0.00 WT2 H ATOM 33180 H2 TIP3 6595 -0.775 17.432 -11.403 1.00 0.00 WT2 H ATOM 33181 OH2 TIP3 6597 -4.579 -1.217 0.399 1.00 0.00 WT2 O ATOM 33182 H1 TIP3 6597 15.584 10.660 7.864 1.00 0.00 WT2 H ATOM 33183 H2 TIP3 6597 -7.917 6.671 -20.048 1.00 0.00 WT2 H ATOM 33184 OH2 TIP3 6598 0.031 -3.709 1.121 1.00 0.00 WT2 O ATOM 33185 H1 TIP3 6598 -22.789 22.571 -3.523 1.00 0.00 WT2 H ATOM 33186 H2 TIP3 6598 -12.348 9.886 -1.696 1.00 0.00 WT2 H ATOM 33187 OH2 TIP3 6599 -0.515 -2.261 1.551 1.00 0.00 WT2 O ATOM 33188 H1 TIP3 6599 -4.197 2.204 3.488 1.00 0.00 WT2 H ATOM 33189 H2 TIP3 6599 -2.043 1.683 8.576 1.00 0.00 WT2 H ATOM 33190 OH2 TIP3 6600 -2.277 1.465 3.113 1.00 0.00 WT2 O ATOM 33191 H1 TIP3 6600 -0.638 -2.518 2.869 1.00 0.00 WT2 H ATOM 33192 H2 TIP3 6600 -0.689 8.790 -13.261 1.00 0.00 WT2 H ATOM 33193 OH2 TIP3 6602 3.749 2.365 -0.537 1.00 0.00 WT2 O ATOM 33194 H1 TIP3 6602 7.831 0.405 5.118 1.00 0.00 WT2 H ATOM 33195 H2 TIP3 6602 6.687 6.948 -5.338 1.00 0.00 WT2 H ATOM 33196 OH2 TIP3 6603 -7.263 1.525 2.488 1.00 0.00 WT2 O ATOM 33197 H1 TIP3 6603 -15.664 4.424 -6.449 1.00 0.00 WT2 H ATOM 33198 H2 TIP3 6603 -12.257 4.453 -4.700 1.00 0.00 WT2 H ATOM 33199 OH2 TIP3 6615 -5.936 5.301 2.961 1.00 0.00 WT2 O ATOM 33200 H1 TIP3 6615 -5.698 -12.087 -17.840 1.00 0.00 WT2 H ATOM 33201 H2 TIP3 6615 -9.491 -6.022 -10.042 1.00 0.00 WT2 H ATOM 33202 OH2 TIP3 6616 2.420 -2.034 5.136 1.00 0.00 WT2 O ATOM 33203 H1 TIP3 6616 1.938 -0.903 18.536 1.00 0.00 WT2 H ATOM 33204 H2 TIP3 6616 -12.763 -5.648 -0.942 1.00 0.00 WT2 H ATOM 33205 OH2 TIP3 6618 -2.467 2.439 -0.074 1.00 0.00 WT2 O ATOM 33206 H1 TIP3 6618 -0.037 1.244 -24.507 1.00 0.00 WT2 H ATOM 33207 H2 TIP3 6618 3.533 15.321 -14.483 1.00 0.00 WT2 H ATOM 33208 OH2 TIP3 6620 2.305 3.082 -3.947 1.00 0.00 WT2 O ATOM 33209 H1 TIP3 6620 -4.287 -0.146 6.276 1.00 0.00 WT2 H ATOM 33210 H2 TIP3 6620 15.949 2.313 -24.819 1.00 0.00 WT2 H ATOM 33211 OH2 TIP3 6621 0.139 -4.852 -2.849 1.00 0.00 WT2 O ATOM 33212 H1 TIP3 6621 0.789 -6.179 -3.279 1.00 0.00 WT2 H ATOM 33213 H2 TIP3 6621 -2.360 9.073 6.753 1.00 0.00 WT2 H ATOM 33214 OH2 TIP3 6623 -4.540 -7.319 0.952 1.00 0.00 WT2 O ATOM 33215 H1 TIP3 6623 -9.640 -8.601 8.063 1.00 0.00 WT2 H ATOM 33216 H2 TIP3 6623 -2.363 -7.318 -2.072 1.00 0.00 WT2 H ATOM 33217 OH2 TIP3 6633 -2.380 -3.524 -3.688 1.00 0.00 WT2 O ATOM 33218 H1 TIP3 6633 -6.230 -3.813 -2.377 1.00 0.00 WT2 H ATOM 33219 H2 TIP3 6633 4.358 4.221 -3.540 1.00 0.00 WT2 H ATOM 33220 OH2 TIP3 6637 -4.260 4.342 0.473 1.00 0.00 WT2 O ATOM 33221 H1 TIP3 6637 -8.490 2.045 -23.208 1.00 0.00 WT2 H ATOM 33222 H2 TIP3 6637 -3.017 -6.825 3.505 1.00 0.00 WT2 H ATOM 33223 OH2 TIP3 6638 2.156 -2.206 -1.576 1.00 0.00 WT2 O ATOM 33224 H1 TIP3 6638 8.727 -1.932 -4.131 1.00 0.00 WT2 H ATOM 33225 H2 TIP3 6638 -11.342 -5.545 7.992 1.00 0.00 WT2 H ATOM 33226 OH2 TIP3 6639 3.216 0.485 4.265 1.00 0.00 WT2 O ATOM 33227 H1 TIP3 6639 6.808 -5.952 3.453 1.00 0.00 WT2 H ATOM 33228 H2 TIP3 6639 0.825 -1.303 9.770 1.00 0.00 WT2 H ATOM 33229 OH2 TIP3 6640 1.300 2.509 -1.720 1.00 0.00 WT2 O ATOM 33230 H1 TIP3 6640 23.414 7.817 -0.487 1.00 0.00 WT2 H ATOM 33231 H2 TIP3 6640 3.600 -19.704 2.774 1.00 0.00 WT2 H ATOM 33232 OH2 TIP3 6641 3.656 1.591 2.247 1.00 0.00 WT2 O ATOM 33233 H1 TIP3 6641 -0.137 -4.548 6.170 1.00 0.00 WT2 H ATOM 33234 H2 TIP3 6641 12.048 8.020 -12.457 1.00 0.00 WT2 H ATOM 33235 OH2 TIP3 6642 -1.617 -4.843 1.998 1.00 0.00 WT2 O ATOM 33236 H1 TIP3 6642 -14.124 2.117 18.147 1.00 0.00 WT2 H ATOM 33237 H2 TIP3 6642 -17.863 -9.606 -7.447 1.00 0.00 WT2 H ATOM 33238 OH2 TIP3 6645 2.410 0.638 6.077 1.00 0.00 WT2 O ATOM 33239 H1 TIP3 6645 -6.915 4.661 12.215 1.00 0.00 WT2 H ATOM 33240 H2 TIP3 6645 -8.297 18.926 18.255 1.00 0.00 WT2 H ATOM 33241 OH2 TIP3 6656 -1.288 3.011 -3.081 1.00 0.00 WT2 O ATOM 33242 H1 TIP3 6656 -22.621 -5.633 5.978 1.00 0.00 WT2 H ATOM 33243 H2 TIP3 6656 11.935 5.434 17.745 1.00 0.00 WT2 H ATOM 33244 OH2 TIP3 6659 -4.296 4.717 1.311 1.00 0.00 WT2 O ATOM 33245 H1 TIP3 6659 14.993 -2.159 13.518 1.00 0.00 WT2 H ATOM 33246 H2 TIP3 6659 -1.006 3.906 2.995 1.00 0.00 WT2 H ATOM 33247 OH2 TIP3 6660 -2.164 -6.444 2.187 1.00 0.00 WT2 O ATOM 33248 H1 TIP3 6660 -8.811 17.239 16.278 1.00 0.00 WT2 H ATOM 33249 H2 TIP3 6660 2.243 -20.685 -5.965 1.00 0.00 WT2 H ATOM 33250 OH2 TIP3 6661 -0.908 5.445 -3.915 1.00 0.00 WT2 O ATOM 33251 H1 TIP3 6661 11.663 18.664 8.977 1.00 0.00 WT2 H ATOM 33252 H2 TIP3 6661 18.575 -1.750 -2.339 1.00 0.00 WT2 H ATOM 33253 OH2 TIP3 6662 -1.553 -5.022 0.952 1.00 0.00 WT2 O ATOM 33254 H1 TIP3 6662 -4.984 -28.763 8.144 1.00 0.00 WT2 H ATOM 33255 H2 TIP3 6662 -9.399 5.664 -26.496 1.00 0.00 WT2 H ATOM 33256 OH2 TIP3 6664 3.412 0.537 -2.814 1.00 0.00 WT2 O ATOM 33257 H1 TIP3 6664 16.919 8.380 10.529 1.00 0.00 WT2 H ATOM 33258 H2 TIP3 6664 32.333 20.070 30.544 1.00 0.00 WT2 H ATOM 33259 OH2 TIP3 6671 -4.377 -3.712 -5.618 1.00 0.00 WT2 O ATOM 33260 H1 TIP3 6671 4.746 8.526 -18.261 1.00 0.00 WT2 H ATOM 33261 H2 TIP3 6671 -2.838 -6.783 10.487 1.00 0.00 WT2 H ATOM 33262 OH2 TIP3 6679 4.104 -2.519 2.044 1.00 0.00 WT2 O ATOM 33263 H1 TIP3 6679 -12.555 7.076 -3.786 1.00 0.00 WT2 H ATOM 33264 H2 TIP3 6679 44.981 -23.642 -16.145 1.00 0.00 WT2 H ATOM 33265 OH2 TIP3 6681 4.576 9.491 -9.868 1.00 0.00 WT2 O ATOM 33266 H1 TIP3 6681 -9.363 13.688 -13.800 1.00 0.00 WT2 H ATOM 33267 H2 TIP3 6681 7.818 -24.696 -4.560 1.00 0.00 WT2 H ATOM 33268 OH2 TIP3 6684 -1.740 -4.500 5.962 1.00 0.00 WT2 O ATOM 33269 H1 TIP3 6684 -3.723 1.744 -1.158 1.00 0.00 WT2 H ATOM 33270 H2 TIP3 6684 6.813 -2.780 8.173 1.00 0.00 WT2 H ATOM 33271 OH2 TIP3 6686 -0.527 6.004 4.653 1.00 0.00 WT2 O ATOM 33272 H1 TIP3 6686 -25.676 24.763 -25.189 1.00 0.00 WT2 H ATOM 33273 H2 TIP3 6686 17.143 -3.236 24.458 1.00 0.00 WT2 H ATOM 33274 OH2 TIP3 6698 4.501 1.459 -4.390 1.00 0.00 WT2 O ATOM 33275 H1 TIP3 6698 -0.576 27.852 -3.125 1.00 0.00 WT2 H ATOM 33276 H2 TIP3 6698 12.943 -19.917 -0.515 1.00 0.00 WT2 H ATOM 33277 OH2 TIP3 6700 1.279 3.967 -7.201 1.00 0.00 WT2 O ATOM 33278 H1 TIP3 6700 -18.830 5.430 0.871 1.00 0.00 WT2 H ATOM 33279 H2 TIP3 6700 9.233 -0.250 -4.177 1.00 0.00 WT2 H ATOM 33280 OH2 TIP3 6701 -1.939 2.829 7.334 1.00 0.00 WT2 O ATOM 33281 H1 TIP3 6701 -1.771 2.676 -8.082 1.00 0.00 WT2 H ATOM 33282 H2 TIP3 6701 -3.031 11.377 3.804 1.00 0.00 WT2 H ATOM 33283 OH2 TIP3 6703 -2.171 0.909 -2.889 1.00 0.00 WT2 O ATOM 33284 H1 TIP3 6703 -14.813 -12.363 -14.593 1.00 0.00 WT2 H ATOM 33285 H2 TIP3 6703 1.211 11.808 -0.951 1.00 0.00 WT2 H ATOM 33286 OH2 TIP3 6704 -1.952 6.523 0.067 1.00 0.00 WT2 O ATOM 33287 H1 TIP3 6704 -2.248 -8.031 12.077 1.00 0.00 WT2 H ATOM 33288 H2 TIP3 6704 11.614 16.558 5.768 1.00 0.00 WT2 H ATOM 33289 OH2 TIP3 6705 -2.057 1.947 2.247 1.00 0.00 WT2 O ATOM 33290 H1 TIP3 6705 -3.309 -1.670 0.369 1.00 0.00 WT2 H ATOM 33291 H2 TIP3 6705 -1.772 7.814 14.289 1.00 0.00 WT2 H ATOM 33292 OH2 TIP3 6706 -3.574 -4.228 -3.874 1.00 0.00 WT2 O ATOM 33293 H1 TIP3 6706 0.802 26.513 0.585 1.00 0.00 WT2 H ATOM 33294 H2 TIP3 6706 -0.376 -2.282 -9.848 1.00 0.00 WT2 H ATOM 33295 OH2 TIP3 6721 -5.414 1.525 2.292 1.00 0.00 WT2 O ATOM 33296 H1 TIP3 6721 10.453 -1.453 7.883 1.00 0.00 WT2 H ATOM 33297 H2 TIP3 6721 -5.170 0.556 -5.338 1.00 0.00 WT2 H ATOM 33298 OH2 TIP3 6722 -0.029 -6.674 0.543 1.00 0.00 WT2 O ATOM 33299 H1 TIP3 6722 -5.743 -8.496 -7.162 1.00 0.00 WT2 H ATOM 33300 H2 TIP3 6722 16.445 2.960 -11.910 1.00 0.00 WT2 H ATOM 33301 OH2 TIP3 6726 -4.257 0.748 -7.117 1.00 0.00 WT2 O ATOM 33302 H1 TIP3 6726 -1.829 -24.842 -9.348 1.00 0.00 WT2 H ATOM 33303 H2 TIP3 6726 -3.575 -34.388 20.127 1.00 0.00 WT2 H ATOM 33304 OH2 TIP3 6727 1.745 -6.646 1.176 1.00 0.00 WT2 O ATOM 33305 H1 TIP3 6727 9.682 -5.935 -1.041 1.00 0.00 WT2 H ATOM 33306 H2 TIP3 6727 7.301 -6.255 -0.161 1.00 0.00 WT2 H ATOM 33307 OH2 TIP3 6730 4.805 -0.230 -6.214 1.00 0.00 WT2 O ATOM 33308 H1 TIP3 6730 10.947 0.294 -9.562 1.00 0.00 WT2 H ATOM 33309 H2 TIP3 6730 -17.247 -3.662 6.654 1.00 0.00 WT2 H ATOM 33310 OH2 TIP3 6731 0.960 -3.990 2.787 1.00 0.00 WT2 O ATOM 33311 H1 TIP3 6731 8.120 -6.652 -0.244 1.00 0.00 WT2 H ATOM 33312 H2 TIP3 6731 -11.052 1.840 0.743 1.00 0.00 WT2 H ATOM 33313 OH2 TIP3 6740 2.641 -0.491 2.771 1.00 0.00 WT2 O ATOM 33314 H1 TIP3 6740 -0.938 1.816 -2.213 1.00 0.00 WT2 H ATOM 33315 H2 TIP3 6740 3.536 -1.069 4.127 1.00 0.00 WT2 H ATOM 33316 OH2 TIP3 6742 1.509 -5.704 -3.837 1.00 0.00 WT2 O ATOM 33317 H1 TIP3 6742 -2.650 -0.612 13.249 1.00 0.00 WT2 H ATOM 33318 H2 TIP3 6742 -8.217 -14.763 -2.550 1.00 0.00 WT2 H ATOM 33319 OH2 TIP3 6743 4.415 -2.349 3.842 1.00 0.00 WT2 O ATOM 33320 H1 TIP3 6743 4.718 -0.154 2.776 1.00 0.00 WT2 H ATOM 33321 H2 TIP3 6743 -1.134 -7.661 -2.176 1.00 0.00 WT2 H ATOM 33322 OH2 TIP3 6745 -4.624 -0.653 -2.903 1.00 0.00 WT2 O ATOM 33323 H1 TIP3 6745 -8.232 -0.826 -2.246 1.00 0.00 WT2 H ATOM 33324 H2 TIP3 6745 4.250 1.472 -7.224 1.00 0.00 WT2 H ATOM 33325 OH2 TIP3 6748 -0.715 -6.023 2.395 1.00 0.00 WT2 O ATOM 33326 H1 TIP3 6748 -17.148 -11.666 -9.726 1.00 0.00 WT2 H ATOM 33327 H2 TIP3 6748 12.589 0.853 8.153 1.00 0.00 WT2 H ATOM 33328 OH2 TIP3 6750 -0.167 1.448 -2.856 1.00 0.00 WT2 O ATOM 33329 H1 TIP3 6750 16.823 -7.885 20.619 1.00 0.00 WT2 H ATOM 33330 H2 TIP3 6750 3.502 15.119 -17.355 1.00 0.00 WT2 H ATOM 33331 OH2 TIP3 6762 -8.684 0.298 7.587 1.00 0.00 WT2 O ATOM 33332 H1 TIP3 6762 -10.977 4.183 4.387 1.00 0.00 WT2 H ATOM 33333 H2 TIP3 6762 -7.946 -4.109 4.430 1.00 0.00 WT2 H ATOM 33334 OH2 TIP3 6763 -1.149 6.025 5.442 1.00 0.00 WT2 O ATOM 33335 H1 TIP3 6763 -48.035 -3.936 -0.211 1.00 0.00 WT2 H ATOM 33336 H2 TIP3 6763 9.601 0.369 -3.169 1.00 0.00 WT2 H ATOM 33337 OH2 TIP3 6765 0.539 1.043 -6.132 1.00 0.00 WT2 O ATOM 33338 H1 TIP3 6765 -0.927 15.660 2.491 1.00 0.00 WT2 H ATOM 33339 H2 TIP3 6765 13.987 -4.564 -3.467 1.00 0.00 WT2 H ATOM 33340 OH2 TIP3 6767 2.630 -5.093 -2.982 1.00 0.00 WT2 O ATOM 33341 H1 TIP3 6767 19.258 2.133 -5.652 1.00 0.00 WT2 H ATOM 33342 H2 TIP3 6767 -8.033 -3.248 -2.974 1.00 0.00 WT2 H ATOM 33343 OH2 TIP3 6768 1.212 3.910 -2.233 1.00 0.00 WT2 O ATOM 33344 H1 TIP3 6768 -4.676 -8.572 1.311 1.00 0.00 WT2 H ATOM 33345 H2 TIP3 6768 17.116 26.936 -9.841 1.00 0.00 WT2 H ATOM 33346 OH2 TIP3 6769 1.456 -2.785 0.616 1.00 0.00 WT2 O ATOM 33347 H1 TIP3 6769 -8.058 2.472 -9.062 1.00 0.00 WT2 H ATOM 33348 H2 TIP3 6769 11.446 -18.715 1.828 1.00 0.00 WT2 H ATOM 33349 OH2 TIP3 6770 -4.208 2.907 4.177 1.00 0.00 WT2 O ATOM 33350 H1 TIP3 6770 11.287 -12.041 -3.298 1.00 0.00 WT2 H ATOM 33351 H2 TIP3 6770 -13.627 23.589 -9.361 1.00 0.00 WT2 H ATOM 33352 OH2 TIP3 6771 1.713 0.988 -1.092 1.00 0.00 WT2 O ATOM 33353 H1 TIP3 6771 25.307 1.435 -2.798 1.00 0.00 WT2 H ATOM 33354 H2 TIP3 6771 -11.230 -8.399 29.424 1.00 0.00 WT2 H ATOM 33355 OH2 TIP3 6786 -4.774 5.809 6.688 1.00 0.00 WT2 O ATOM 33356 H1 TIP3 6786 -4.278 17.370 6.167 1.00 0.00 WT2 H ATOM 33357 H2 TIP3 6786 -12.318 1.999 -1.360 1.00 0.00 WT2 H ATOM 33358 OH2 TIP3 6788 0.423 -2.428 2.235 1.00 0.00 WT2 O ATOM 33359 H1 TIP3 6788 -4.815 -19.969 4.643 1.00 0.00 WT2 H ATOM 33360 H2 TIP3 6788 6.546 4.217 25.458 1.00 0.00 WT2 H ATOM 33361 OH2 TIP3 6790 4.184 3.020 -4.698 1.00 0.00 WT2 O ATOM 33362 H1 TIP3 6790 -25.422 -5.060 -8.437 1.00 0.00 WT2 H ATOM 33363 H2 TIP3 6790 -1.657 5.168 -9.272 1.00 0.00 WT2 H ATOM 33364 OH2 TIP3 6791 -0.339 0.966 1.290 1.00 0.00 WT2 O ATOM 33365 H1 TIP3 6791 28.565 -4.841 -17.084 1.00 0.00 WT2 H ATOM 33366 H2 TIP3 6791 -11.077 4.441 -0.979 1.00 0.00 WT2 H ATOM 33367 OH2 TIP3 6792 -10.693 -3.163 2.820 1.00 0.00 WT2 O ATOM 33368 H1 TIP3 6792 -10.842 26.622 -4.038 1.00 0.00 WT2 H ATOM 33369 H2 TIP3 6792 -8.374 -12.398 -2.728 1.00 0.00 WT2 H ATOM 33370 OH2 TIP3 6803 5.116 3.482 -2.676 1.00 0.00 WT2 O ATOM 33371 H1 TIP3 6803 8.049 1.492 -4.231 1.00 0.00 WT2 H ATOM 33372 H2 TIP3 6803 -0.189 9.098 1.633 1.00 0.00 WT2 H ATOM 33373 OH2 TIP3 6807 0.380 3.217 0.119 1.00 0.00 WT2 O ATOM 33374 H1 TIP3 6807 4.613 14.158 -3.275 1.00 0.00 WT2 H ATOM 33375 H2 TIP3 6807 3.415 14.877 4.510 1.00 0.00 WT2 H ATOM 33376 OH2 TIP3 6810 -5.448 -2.656 -7.036 1.00 0.00 WT2 O ATOM 33377 H1 TIP3 6810 -7.623 -2.320 -4.852 1.00 0.00 WT2 H ATOM 33378 H2 TIP3 6810 10.702 3.984 -22.556 1.00 0.00 WT2 H ATOM 33379 OH2 TIP3 6811 1.133 -2.288 0.927 1.00 0.00 WT2 O ATOM 33380 H1 TIP3 6811 2.092 -4.054 1.564 1.00 0.00 WT2 H ATOM 33381 H2 TIP3 6811 1.142 8.716 -4.844 1.00 0.00 WT2 H ATOM 33382 OH2 TIP3 6813 1.686 -1.273 0.065 1.00 0.00 WT2 O ATOM 33383 H1 TIP3 6813 1.358 7.389 -1.533 1.00 0.00 WT2 H ATOM 33384 H2 TIP3 6813 -2.401 -3.110 4.139 1.00 0.00 WT2 H ATOM 33385 OH2 TIP3 6815 -1.331 2.407 -4.288 1.00 0.00 WT2 O ATOM 33386 H1 TIP3 6815 0.045 -19.818 5.762 1.00 0.00 WT2 H ATOM 33387 H2 TIP3 6815 -13.531 -13.455 -2.471 1.00 0.00 WT2 H ATOM 33388 OH2 TIP3 6825 4.442 -2.914 2.115 1.00 0.00 WT2 O ATOM 33389 H1 TIP3 6825 21.100 -1.456 19.555 1.00 0.00 WT2 H ATOM 33390 H2 TIP3 6825 15.408 -17.688 2.514 1.00 0.00 WT2 H ATOM 33391 OH2 TIP3 6826 -3.535 4.059 2.583 1.00 0.00 WT2 O ATOM 33392 H1 TIP3 6826 -11.003 2.535 3.861 1.00 0.00 WT2 H ATOM 33393 H2 TIP3 6826 6.066 6.786 -0.221 1.00 0.00 WT2 H ATOM 33394 OH2 TIP3 6827 -1.743 2.402 0.978 1.00 0.00 WT2 O ATOM 33395 H1 TIP3 6827 6.458 -1.346 -0.953 1.00 0.00 WT2 H ATOM 33396 H2 TIP3 6827 -10.694 6.630 2.913 1.00 0.00 WT2 H ATOM 33397 OH2 TIP3 6828 -8.120 0.890 4.280 1.00 0.00 WT2 O ATOM 33398 H1 TIP3 6828 -3.840 2.495 4.039 1.00 0.00 WT2 H ATOM 33399 H2 TIP3 6828 -9.277 -0.540 0.532 1.00 0.00 WT2 H ATOM 33400 OH2 TIP3 6831 7.185 -1.560 -0.373 1.00 0.00 WT2 O ATOM 33401 H1 TIP3 6831 2.528 -3.953 5.195 1.00 0.00 WT2 H ATOM 33402 H2 TIP3 6831 1.385 -8.149 -14.401 1.00 0.00 WT2 H ATOM 33403 OH2 TIP3 6834 0.327 0.081 5.279 1.00 0.00 WT2 O ATOM 33404 H1 TIP3 6834 5.469 8.303 6.703 1.00 0.00 WT2 H ATOM 33405 H2 TIP3 6834 -0.995 -11.346 15.773 1.00 0.00 WT2 H ATOM 33406 OH2 TIP3 6836 -0.959 -10.655 6.251 1.00 0.00 WT2 O ATOM 33407 H1 TIP3 6836 4.920 -33.482 7.938 1.00 0.00 WT2 H ATOM 33408 H2 TIP3 6836 -1.122 5.980 1.129 1.00 0.00 WT2 H ATOM 33409 OH2 TIP3 6846 2.485 -5.627 5.934 1.00 0.00 WT2 O ATOM 33410 H1 TIP3 6846 -10.086 20.107 -2.100 1.00 0.00 WT2 H ATOM 33411 H2 TIP3 6846 2.406 -4.207 -16.737 1.00 0.00 WT2 H ATOM 33412 OH2 TIP3 6848 -1.103 0.468 -3.057 1.00 0.00 WT2 O ATOM 33413 H1 TIP3 6848 -21.172 1.081 -3.668 1.00 0.00 WT2 H ATOM 33414 H2 TIP3 6848 -1.841 -1.027 -7.898 1.00 0.00 WT2 H ATOM 33415 OH2 TIP3 6849 5.205 -4.231 -1.998 1.00 0.00 WT2 O ATOM 33416 H1 TIP3 6849 14.789 -2.332 -7.354 1.00 0.00 WT2 H ATOM 33417 H2 TIP3 6849 13.060 -1.521 -7.239 1.00 0.00 WT2 H ATOM 33418 OH2 TIP3 6850 -4.098 2.779 8.965 1.00 0.00 WT2 O ATOM 33419 H1 TIP3 6850 -3.110 -0.135 7.285 1.00 0.00 WT2 H ATOM 33420 H2 TIP3 6850 6.334 -2.845 -11.985 1.00 0.00 WT2 H ATOM 33421 OH2 TIP3 6851 7.291 1.028 -2.739 1.00 0.00 WT2 O ATOM 33422 H1 TIP3 6851 4.260 -4.864 -3.382 1.00 0.00 WT2 H ATOM 33423 H2 TIP3 6851 12.416 -10.422 3.272 1.00 0.00 WT2 H ATOM 33424 OH2 TIP3 6852 5.414 -3.822 -0.073 1.00 0.00 WT2 O ATOM 33425 H1 TIP3 6852 -23.703 15.398 2.934 1.00 0.00 WT2 H ATOM 33426 H2 TIP3 6852 -2.135 3.307 -8.001 1.00 0.00 WT2 H ATOM 33427 OH2 TIP3 6853 -0.278 -3.960 2.486 1.00 0.00 WT2 O ATOM 33428 H1 TIP3 6853 -6.217 -7.524 -14.601 1.00 0.00 WT2 H ATOM 33429 H2 TIP3 6853 36.335 3.909 -12.892 1.00 0.00 WT2 H ATOM 33430 OH2 TIP3 6854 0.443 2.587 -6.207 1.00 0.00 WT2 O ATOM 33431 H1 TIP3 6854 4.176 -7.910 -17.441 1.00 0.00 WT2 H ATOM 33432 H2 TIP3 6854 9.520 11.643 -6.203 1.00 0.00 WT2 H ATOM 33433 OH2 TIP3 6855 0.061 -2.710 -4.772 1.00 0.00 WT2 O ATOM 33434 H1 TIP3 6855 -9.829 11.037 -11.332 1.00 0.00 WT2 H ATOM 33435 H2 TIP3 6855 -3.888 2.866 -8.041 1.00 0.00 WT2 H ATOM 33436 OH2 TIP3 6866 -3.273 -2.026 -4.782 1.00 0.00 WT2 O ATOM 33437 H1 TIP3 6866 -4.894 4.488 6.886 1.00 0.00 WT2 H ATOM 33438 H2 TIP3 6866 1.444 18.536 -14.543 1.00 0.00 WT2 H ATOM 33439 OH2 TIP3 6867 -2.765 0.942 -3.747 1.00 0.00 WT2 O ATOM 33440 H1 TIP3 6867 -6.588 3.813 7.199 1.00 0.00 WT2 H ATOM 33441 H2 TIP3 6867 -20.171 5.855 11.034 1.00 0.00 WT2 H ATOM 33442 OH2 TIP3 6869 2.868 -2.874 2.399 1.00 0.00 WT2 O ATOM 33443 H1 TIP3 6869 7.666 2.700 -0.578 1.00 0.00 WT2 H ATOM 33444 H2 TIP3 6869 -14.342 -16.879 11.107 1.00 0.00 WT2 H ATOM 33445 OH2 TIP3 6870 -0.149 -6.867 2.129 1.00 0.00 WT2 O ATOM 33446 H1 TIP3 6870 12.951 -5.732 3.482 1.00 0.00 WT2 H ATOM 33447 H2 TIP3 6870 7.985 -7.511 8.595 1.00 0.00 WT2 H ATOM 33448 OH2 TIP3 6872 4.522 -3.151 -7.100 1.00 0.00 WT2 O ATOM 33449 H1 TIP3 6872 5.175 -14.824 0.337 1.00 0.00 WT2 H ATOM 33450 H2 TIP3 6872 13.404 -0.016 9.094 1.00 0.00 WT2 H ATOM 33451 OH2 TIP3 6874 -6.010 5.167 -5.851 1.00 0.00 WT2 O ATOM 33452 H1 TIP3 6874 15.669 16.359 -4.435 1.00 0.00 WT2 H ATOM 33453 H2 TIP3 6874 12.751 -6.066 -18.067 1.00 0.00 WT2 H ATOM 33454 OH2 TIP3 6886 6.994 -1.729 0.926 1.00 0.00 WT2 O ATOM 33455 H1 TIP3 6886 -23.642 8.146 12.568 1.00 0.00 WT2 H ATOM 33456 H2 TIP3 6886 -9.151 -23.322 -8.965 1.00 0.00 WT2 H ATOM 33457 OH2 TIP3 6887 1.943 -0.421 0.482 1.00 0.00 WT2 O ATOM 33458 H1 TIP3 6887 -8.288 3.856 24.580 1.00 0.00 WT2 H ATOM 33459 H2 TIP3 6887 4.694 -8.538 -4.404 1.00 0.00 WT2 H ATOM 33460 OH2 TIP3 6889 -1.172 -1.173 -1.324 1.00 0.00 WT2 O ATOM 33461 H1 TIP3 6889 -12.667 -13.547 -5.846 1.00 0.00 WT2 H ATOM 33462 H2 TIP3 6889 -16.163 -8.079 25.832 1.00 0.00 WT2 H ATOM 33463 OH2 TIP3 6890 -0.675 0.825 -0.372 1.00 0.00 WT2 O ATOM 33464 H1 TIP3 6890 -7.310 -12.585 -7.041 1.00 0.00 WT2 H ATOM 33465 H2 TIP3 6890 0.120 16.776 -14.361 1.00 0.00 WT2 H ATOM 33466 OH2 TIP3 6893 9.594 -2.743 -3.144 1.00 0.00 WT2 O ATOM 33467 H1 TIP3 6893 9.965 -7.638 -1.236 1.00 0.00 WT2 H ATOM 33468 H2 TIP3 6893 -2.335 -15.280 -27.258 1.00 0.00 WT2 H ATOM 33469 OH2 TIP3 6896 2.799 1.947 -1.965 1.00 0.00 WT2 O ATOM 33470 H1 TIP3 6896 -9.450 4.444 8.281 1.00 0.00 WT2 H ATOM 33471 H2 TIP3 6896 4.306 -14.985 3.342 1.00 0.00 WT2 H ATOM 33472 OH2 TIP3 6910 -4.071 -5.652 -0.161 1.00 0.00 WT2 O ATOM 33473 H1 TIP3 6910 11.187 -15.669 9.860 1.00 0.00 WT2 H ATOM 33474 H2 TIP3 6910 -8.044 0.480 -5.185 1.00 0.00 WT2 H ATOM 33475 OH2 TIP3 6911 7.292 4.978 -0.748 1.00 0.00 WT2 O ATOM 33476 H1 TIP3 6911 -0.658 9.861 7.743 1.00 0.00 WT2 H ATOM 33477 H2 TIP3 6911 0.947 -6.687 5.847 1.00 0.00 WT2 H ATOM 33478 OH2 TIP3 6913 -0.168 0.808 0.766 1.00 0.00 WT2 O ATOM 33479 H1 TIP3 6913 -5.815 -17.436 -2.783 1.00 0.00 WT2 H ATOM 33480 H2 TIP3 6913 -13.069 5.061 13.739 1.00 0.00 WT2 H ATOM 33481 OH2 TIP3 6914 1.334 2.810 -4.884 1.00 0.00 WT2 O ATOM 33482 H1 TIP3 6914 -7.867 -1.171 -17.868 1.00 0.00 WT2 H ATOM 33483 H2 TIP3 6914 13.717 8.806 25.463 1.00 0.00 WT2 H ATOM 33484 OH2 TIP3 6915 -1.601 6.412 4.604 1.00 0.00 WT2 O ATOM 33485 H1 TIP3 6915 -16.462 -36.968 -18.750 1.00 0.00 WT2 H ATOM 33486 H2 TIP3 6915 13.484 24.892 -40.961 1.00 0.00 WT2 H ATOM 33487 OH2 TIP3 6916 -0.038 -4.303 -1.400 1.00 0.00 WT2 O ATOM 33488 H1 TIP3 6916 1.854 -2.865 -3.003 1.00 0.00 WT2 H ATOM 33489 H2 TIP3 6916 -14.377 17.753 3.731 1.00 0.00 WT2 H ATOM 33490 OH2 TIP3 6919 2.930 -5.181 -0.258 1.00 0.00 WT2 O ATOM 33491 H1 TIP3 6919 27.381 -16.471 8.929 1.00 0.00 WT2 H ATOM 33492 H2 TIP3 6919 10.414 20.212 -9.228 1.00 0.00 WT2 H ATOM 33493 OH2 TIP3 6928 -2.228 0.498 0.106 1.00 0.00 WT2 O ATOM 33494 H1 TIP3 6928 -1.692 -5.335 -3.926 1.00 0.00 WT2 H ATOM 33495 H2 TIP3 6928 -15.608 -9.928 5.124 1.00 0.00 WT2 H ATOM 33496 OH2 TIP3 6932 -4.176 6.546 -0.057 1.00 0.00 WT2 O ATOM 33497 H1 TIP3 6932 -13.789 1.328 8.893 1.00 0.00 WT2 H ATOM 33498 H2 TIP3 6932 -1.301 3.566 -21.663 1.00 0.00 WT2 H ATOM 33499 OH2 TIP3 6933 -6.040 0.609 -3.599 1.00 0.00 WT2 O ATOM 33500 H1 TIP3 6933 -9.075 -0.038 2.366 1.00 0.00 WT2 H ATOM 33501 H2 TIP3 6933 -10.649 0.466 -27.217 1.00 0.00 WT2 H ATOM 33502 OH2 TIP3 6935 0.961 -1.737 0.947 1.00 0.00 WT2 O ATOM 33503 H1 TIP3 6935 -6.669 -5.264 3.931 1.00 0.00 WT2 H ATOM 33504 H2 TIP3 6935 0.588 -9.034 -8.776 1.00 0.00 WT2 H ATOM 33505 OH2 TIP3 6936 -7.330 -1.946 2.661 1.00 0.00 WT2 O ATOM 33506 H1 TIP3 6936 -4.089 2.333 5.635 1.00 0.00 WT2 H ATOM 33507 H2 TIP3 6936 -11.362 -10.881 -4.379 1.00 0.00 WT2 H ATOM 33508 OH2 TIP3 6952 -1.903 -7.571 -3.679 1.00 0.00 WT2 O ATOM 33509 H1 TIP3 6952 -0.458 -16.337 -20.729 1.00 0.00 WT2 H ATOM 33510 H2 TIP3 6952 4.579 9.122 2.143 1.00 0.00 WT2 H ATOM 33511 OH2 TIP3 6953 6.117 0.601 -0.994 1.00 0.00 WT2 O ATOM 33512 H1 TIP3 6953 15.992 -8.511 9.915 1.00 0.00 WT2 H ATOM 33513 H2 TIP3 6953 -3.808 7.587 10.392 1.00 0.00 WT2 H ATOM 33514 OH2 TIP3 6955 1.246 2.911 -4.835 1.00 0.00 WT2 O ATOM 33515 H1 TIP3 6955 5.687 -4.509 2.594 1.00 0.00 WT2 H ATOM 33516 H2 TIP3 6955 -8.280 16.159 7.201 1.00 0.00 WT2 H ATOM 33517 OH2 TIP3 6957 -4.508 1.189 -4.514 1.00 0.00 WT2 O ATOM 33518 H1 TIP3 6957 3.564 1.743 -1.298 1.00 0.00 WT2 H ATOM 33519 H2 TIP3 6957 -13.661 -10.362 -2.639 1.00 0.00 WT2 H ATOM 33520 OH2 TIP3 6959 -2.586 -3.789 0.952 1.00 0.00 WT2 O ATOM 33521 H1 TIP3 6959 11.930 -2.887 -9.414 1.00 0.00 WT2 H ATOM 33522 H2 TIP3 6959 12.736 5.811 2.449 1.00 0.00 WT2 H ATOM 33523 OH2 TIP3 6970 1.269 2.632 -5.623 1.00 0.00 WT2 O ATOM 33524 H1 TIP3 6970 -8.065 1.185 -7.865 1.00 0.00 WT2 H ATOM 33525 H2 TIP3 6970 4.087 6.707 -16.191 1.00 0.00 WT2 H ATOM 33526 OH2 TIP3 6973 -3.893 7.562 3.101 1.00 0.00 WT2 O ATOM 33527 H1 TIP3 6973 -3.088 -2.420 0.604 1.00 0.00 WT2 H ATOM 33528 H2 TIP3 6973 -0.643 1.664 -3.040 1.00 0.00 WT2 H ATOM 33529 OH2 TIP3 6975 2.302 3.989 -4.018 1.00 0.00 WT2 O ATOM 33530 H1 TIP3 6975 -1.933 1.007 -11.698 1.00 0.00 WT2 H ATOM 33531 H2 TIP3 6975 19.468 7.576 9.553 1.00 0.00 WT2 H ATOM 33532 OH2 TIP3 6977 -4.196 -0.944 3.966 1.00 0.00 WT2 O ATOM 33533 H1 TIP3 6977 0.246 -10.020 -15.935 1.00 0.00 WT2 H ATOM 33534 H2 TIP3 6977 -19.856 -16.792 -9.112 1.00 0.00 WT2 H ATOM 33535 OH2 TIP3 6978 5.796 -2.943 7.527 1.00 0.00 WT2 O ATOM 33536 H1 TIP3 6978 3.232 -12.120 -17.101 1.00 0.00 WT2 H ATOM 33537 H2 TIP3 6978 2.987 -1.722 10.152 1.00 0.00 WT2 H ATOM 33538 OH2 TIP3 6980 -4.064 -2.662 -4.158 1.00 0.00 WT2 O ATOM 33539 H1 TIP3 6980 -6.870 11.993 -17.060 1.00 0.00 WT2 H ATOM 33540 H2 TIP3 6980 -14.603 -17.711 -14.414 1.00 0.00 WT2 H ATOM 33541 OH2 TIP3 6993 -4.107 -2.115 -0.458 1.00 0.00 WT2 O ATOM 33542 H1 TIP3 6993 -2.614 8.965 -26.368 1.00 0.00 WT2 H ATOM 33543 H2 TIP3 6993 8.916 3.093 13.830 1.00 0.00 WT2 H ATOM 33544 OH2 TIP3 6995 1.011 -4.341 4.655 1.00 0.00 WT2 O ATOM 33545 H1 TIP3 6995 -18.114 1.275 6.179 1.00 0.00 WT2 H ATOM 33546 H2 TIP3 6995 13.054 11.268 11.513 1.00 0.00 WT2 H ATOM 33547 OH2 TIP3 6997 -1.591 4.231 -6.640 1.00 0.00 WT2 O ATOM 33548 H1 TIP3 6997 14.837 -0.479 3.784 1.00 0.00 WT2 H ATOM 33549 H2 TIP3 6997 -5.462 -12.245 -29.429 1.00 0.00 WT2 H ATOM 33550 OH2 TIP3 6998 7.017 -8.847 -3.531 1.00 0.00 WT2 O ATOM 33551 H1 TIP3 6998 11.029 3.125 -9.627 1.00 0.00 WT2 H ATOM 33552 H2 TIP3 6998 -22.126 -11.909 1.229 1.00 0.00 WT2 H ATOM 33553 OH2 TIP3 6999 -5.066 2.225 -7.340 1.00 0.00 WT2 O ATOM 33554 H1 TIP3 6999 22.604 10.104 -12.232 1.00 0.00 WT2 H ATOM 33555 H2 TIP3 6999 6.710 -10.036 19.345 1.00 0.00 WT2 H ATOM 33556 OH2 TIP3 7000 5.883 -4.243 -3.673 1.00 0.00 WT2 O ATOM 33557 H1 TIP3 7000 -12.489 -10.553 3.998 1.00 0.00 WT2 H ATOM 33558 H2 TIP3 7000 -15.775 -43.834 17.885 1.00 0.00 WT2 H ATOM 33559 OH2 TIP3 7002 2.215 3.198 1.673 1.00 0.00 WT2 O ATOM 33560 H1 TIP3 7002 24.120 17.656 -0.320 1.00 0.00 WT2 H ATOM 33561 H2 TIP3 7002 17.636 2.252 -3.593 1.00 0.00 WT2 H ATOM 33562 OH2 TIP3 7015 -1.621 -4.353 2.743 1.00 0.00 WT2 O ATOM 33563 H1 TIP3 7015 -0.108 26.883 7.068 1.00 0.00 WT2 H ATOM 33564 H2 TIP3 7015 -13.145 -14.768 -2.617 1.00 0.00 WT2 H ATOM 33565 OH2 TIP3 7017 -1.134 6.957 5.765 1.00 0.00 WT2 O ATOM 33566 H1 TIP3 7017 -2.469 8.658 1.418 1.00 0.00 WT2 H ATOM 33567 H2 TIP3 7017 -6.358 8.193 -4.101 1.00 0.00 WT2 H ATOM 33568 OH2 TIP3 7018 -2.934 -5.561 1.244 1.00 0.00 WT2 O ATOM 33569 H1 TIP3 7018 -5.897 -19.749 1.160 1.00 0.00 WT2 H ATOM 33570 H2 TIP3 7018 -5.542 -22.316 0.092 1.00 0.00 WT2 H ATOM 33571 OH2 TIP3 7019 -1.514 -0.138 1.549 1.00 0.00 WT2 O ATOM 33572 H1 TIP3 7019 7.862 9.163 -15.457 1.00 0.00 WT2 H ATOM 33573 H2 TIP3 7019 6.140 11.089 17.262 1.00 0.00 WT2 H ATOM 33574 OH2 TIP3 7020 -2.337 2.565 -0.142 1.00 0.00 WT2 O ATOM 33575 H1 TIP3 7020 -18.042 1.445 -3.409 1.00 0.00 WT2 H ATOM 33576 H2 TIP3 7020 -13.377 -0.395 -11.377 1.00 0.00 WT2 H ATOM 33577 OH2 TIP3 7021 4.964 -5.586 5.575 1.00 0.00 WT2 O ATOM 33578 H1 TIP3 7021 -15.000 -5.217 9.200 1.00 0.00 WT2 H ATOM 33579 H2 TIP3 7021 6.226 -2.361 -6.133 1.00 0.00 WT2 H ATOM 33580 OH2 TIP3 7023 -0.458 2.795 -3.229 1.00 0.00 WT2 O ATOM 33581 H1 TIP3 7023 2.497 21.866 -12.449 1.00 0.00 WT2 H ATOM 33582 H2 TIP3 7023 1.471 13.383 -8.791 1.00 0.00 WT2 H ATOM 33583 OH2 TIP3 7024 -3.023 -0.417 1.094 1.00 0.00 WT2 O ATOM 33584 H1 TIP3 7024 15.479 10.906 7.610 1.00 0.00 WT2 H ATOM 33585 H2 TIP3 7024 6.055 5.237 8.960 1.00 0.00 WT2 H ATOM 33586 OH2 TIP3 7035 -4.160 0.404 6.967 1.00 0.00 WT2 O ATOM 33587 H1 TIP3 7035 -1.671 -17.522 -1.692 1.00 0.00 WT2 H ATOM 33588 H2 TIP3 7035 -5.644 -3.474 27.152 1.00 0.00 WT2 H ATOM 33589 OH2 TIP3 7038 -3.986 0.597 2.168 1.00 0.00 WT2 O ATOM 33590 H1 TIP3 7038 -0.675 -5.211 2.073 1.00 0.00 WT2 H ATOM 33591 H2 TIP3 7038 3.561 -15.896 -3.939 1.00 0.00 WT2 H ATOM 33592 OH2 TIP3 7040 -4.674 0.809 0.052 1.00 0.00 WT2 O ATOM 33593 H1 TIP3 7040 24.588 6.306 21.086 1.00 0.00 WT2 H ATOM 33594 H2 TIP3 7040 -7.376 20.439 -8.369 1.00 0.00 WT2 H ATOM 33595 OH2 TIP3 7041 -2.414 -0.133 -1.166 1.00 0.00 WT2 O ATOM 33596 H1 TIP3 7041 -1.922 -0.678 -18.687 1.00 0.00 WT2 H ATOM 33597 H2 TIP3 7041 15.680 -2.088 4.069 1.00 0.00 WT2 H ATOM 33598 OH2 TIP3 7042 2.994 2.302 0.022 1.00 0.00 WT2 O ATOM 33599 H1 TIP3 7042 6.052 -2.334 1.842 1.00 0.00 WT2 H ATOM 33600 H2 TIP3 7042 4.899 -1.409 -1.251 1.00 0.00 WT2 H ATOM 33601 OH2 TIP3 7043 1.882 -2.075 3.669 1.00 0.00 WT2 O ATOM 33602 H1 TIP3 7043 -6.998 -13.665 12.159 1.00 0.00 WT2 H ATOM 33603 H2 TIP3 7043 3.894 -0.229 4.984 1.00 0.00 WT2 H ATOM 33604 OH2 TIP3 7044 2.304 -1.703 -7.966 1.00 0.00 WT2 O ATOM 33605 H1 TIP3 7044 -2.953 2.455 -10.168 1.00 0.00 WT2 H ATOM 33606 H2 TIP3 7044 -9.074 -9.734 -7.724 1.00 0.00 WT2 H ATOM 33607 OH2 TIP3 7052 -4.724 2.782 4.886 1.00 0.00 WT2 O ATOM 33608 H1 TIP3 7052 18.229 -12.922 -15.233 1.00 0.00 WT2 H ATOM 33609 H2 TIP3 7052 -0.365 -6.689 -4.544 1.00 0.00 WT2 H ATOM 33610 OH2 TIP3 7058 -1.868 -2.068 -3.105 1.00 0.00 WT2 O ATOM 33611 H1 TIP3 7058 -11.256 10.657 0.798 1.00 0.00 WT2 H ATOM 33612 H2 TIP3 7058 -4.388 4.797 -4.575 1.00 0.00 WT2 H ATOM 33613 OH2 TIP3 7059 2.959 -1.085 -0.652 1.00 0.00 WT2 O ATOM 33614 H1 TIP3 7059 0.008 -1.920 0.376 1.00 0.00 WT2 H ATOM 33615 H2 TIP3 7059 -12.284 -5.898 -4.822 1.00 0.00 WT2 H ATOM 33616 OH2 TIP3 7061 -4.784 -1.953 -2.252 1.00 0.00 WT2 O ATOM 33617 H1 TIP3 7061 -5.157 -4.384 -9.821 1.00 0.00 WT2 H ATOM 33618 H2 TIP3 7061 -7.926 7.056 8.473 1.00 0.00 WT2 H ATOM 33619 OH2 TIP3 7062 -2.277 -0.978 0.572 1.00 0.00 WT2 O ATOM 33620 H1 TIP3 7062 7.042 -13.272 15.537 1.00 0.00 WT2 H ATOM 33621 H2 TIP3 7062 -4.028 -12.787 24.549 1.00 0.00 WT2 H ATOM 33622 OH2 TIP3 7063 1.272 9.132 -8.634 1.00 0.00 WT2 O ATOM 33623 H1 TIP3 7063 23.840 4.134 5.846 1.00 0.00 WT2 H ATOM 33624 H2 TIP3 7063 -4.176 36.055 2.482 1.00 0.00 WT2 H ATOM 33625 OH2 TIP3 7064 1.702 2.127 1.084 1.00 0.00 WT2 O ATOM 33626 H1 TIP3 7064 -3.965 2.754 -6.485 1.00 0.00 WT2 H ATOM 33627 H2 TIP3 7064 1.122 -16.629 -4.126 1.00 0.00 WT2 H ATOM 33628 OH2 TIP3 7065 -2.333 2.089 -0.718 1.00 0.00 WT2 O ATOM 33629 H1 TIP3 7065 -15.250 -10.932 -27.591 1.00 0.00 WT2 H ATOM 33630 H2 TIP3 7065 1.966 5.609 7.214 1.00 0.00 WT2 H ATOM 33631 OH2 TIP3 7066 -1.478 -0.622 -1.886 1.00 0.00 WT2 O ATOM 33632 H1 TIP3 7066 11.342 -7.145 -6.736 1.00 0.00 WT2 H ATOM 33633 H2 TIP3 7066 -3.438 -8.453 8.418 1.00 0.00 WT2 H ATOM 33634 OH2 TIP3 7076 -4.465 3.366 -2.066 1.00 0.00 WT2 O ATOM 33635 H1 TIP3 7076 -1.037 -23.645 11.004 1.00 0.00 WT2 H ATOM 33636 H2 TIP3 7076 -1.971 16.464 2.789 1.00 0.00 WT2 H ATOM 33637 OH2 TIP3 7078 -5.523 3.510 -2.636 1.00 0.00 WT2 O ATOM 33638 H1 TIP3 7078 -1.292 2.682 6.419 1.00 0.00 WT2 H ATOM 33639 H2 TIP3 7078 5.550 -6.074 8.470 1.00 0.00 WT2 H ATOM 33640 OH2 TIP3 7081 -6.582 -3.477 1.162 1.00 0.00 WT2 O ATOM 33641 H1 TIP3 7081 -2.689 1.634 11.772 1.00 0.00 WT2 H ATOM 33642 H2 TIP3 7081 2.703 3.218 11.819 1.00 0.00 WT2 H ATOM 33643 OH2 TIP3 7100 3.806 0.482 -4.749 1.00 0.00 WT2 O ATOM 33644 H1 TIP3 7100 -7.260 -21.559 3.623 1.00 0.00 WT2 H ATOM 33645 H2 TIP3 7100 -5.802 -19.310 2.735 1.00 0.00 WT2 H ATOM 33646 OH2 TIP3 7101 3.833 3.146 2.182 1.00 0.00 WT2 O ATOM 33647 H1 TIP3 7101 -0.894 4.936 19.998 1.00 0.00 WT2 H ATOM 33648 H2 TIP3 7101 8.358 4.913 5.398 1.00 0.00 WT2 H ATOM 33649 OH2 TIP3 7102 -0.682 7.809 -1.934 1.00 0.00 WT2 O ATOM 33650 H1 TIP3 7102 -4.090 20.492 -15.112 1.00 0.00 WT2 H ATOM 33651 H2 TIP3 7102 -24.140 0.414 -20.021 1.00 0.00 WT2 H ATOM 33652 OH2 TIP3 7104 4.808 2.177 -1.484 1.00 0.00 WT2 O ATOM 33653 H1 TIP3 7104 4.926 15.754 -13.711 1.00 0.00 WT2 H ATOM 33654 H2 TIP3 7104 16.695 6.531 -2.565 1.00 0.00 WT2 H ATOM 33655 OH2 TIP3 7107 4.107 3.547 -2.728 1.00 0.00 WT2 O ATOM 33656 H1 TIP3 7107 -3.479 -9.652 11.606 1.00 0.00 WT2 H ATOM 33657 H2 TIP3 7107 -4.918 -11.854 -12.880 1.00 0.00 WT2 H ATOM 33658 OH2 TIP3 7120 -2.954 -1.418 -1.980 1.00 0.00 WT2 O ATOM 33659 H1 TIP3 7120 -10.429 -7.993 -0.618 1.00 0.00 WT2 H ATOM 33660 H2 TIP3 7120 3.970 5.100 2.826 1.00 0.00 WT2 H ATOM 33661 OH2 TIP3 7121 2.579 -3.408 9.173 1.00 0.00 WT2 O ATOM 33662 H1 TIP3 7121 -12.239 17.343 1.411 1.00 0.00 WT2 H ATOM 33663 H2 TIP3 7121 -7.322 -20.562 -1.665 1.00 0.00 WT2 H ATOM 33664 OH2 TIP3 7122 0.911 -0.104 -1.940 1.00 0.00 WT2 O ATOM 33665 H1 TIP3 7122 -7.894 -8.431 13.201 1.00 0.00 WT2 H ATOM 33666 H2 TIP3 7122 -14.662 -3.410 -11.110 1.00 0.00 WT2 H ATOM 33667 OH2 TIP3 7123 -1.623 0.087 -0.417 1.00 0.00 WT2 O ATOM 33668 H1 TIP3 7123 -6.456 -6.722 3.357 1.00 0.00 WT2 H ATOM 33669 H2 TIP3 7123 -0.697 0.801 -5.391 1.00 0.00 WT2 H ATOM 33670 OH2 TIP3 7124 -0.383 -3.154 -5.803 1.00 0.00 WT2 O ATOM 33671 H1 TIP3 7124 -0.597 3.151 -1.750 1.00 0.00 WT2 H ATOM 33672 H2 TIP3 7124 -5.909 -6.283 12.983 1.00 0.00 WT2 H ATOM 33673 OH2 TIP3 7125 3.305 4.381 -8.348 1.00 0.00 WT2 O ATOM 33674 H1 TIP3 7125 3.906 4.629 -5.944 1.00 0.00 WT2 H ATOM 33675 H2 TIP3 7125 4.307 3.404 -2.641 1.00 0.00 WT2 H ATOM 33676 OH2 TIP3 7128 3.936 -5.943 -3.934 1.00 0.00 WT2 O ATOM 33677 H1 TIP3 7128 7.786 18.025 -1.428 1.00 0.00 WT2 H ATOM 33678 H2 TIP3 7128 8.948 21.863 -1.064 1.00 0.00 WT2 H ATOM 33679 OH2 TIP3 7141 0.598 -6.378 -4.537 1.00 0.00 WT2 O ATOM 33680 H1 TIP3 7141 -20.514 -4.330 -2.378 1.00 0.00 WT2 H ATOM 33681 H2 TIP3 7141 8.080 22.199 -8.813 1.00 0.00 WT2 H ATOM 33682 OH2 TIP3 7142 1.276 4.678 -3.716 1.00 0.00 WT2 O ATOM 33683 H1 TIP3 7142 -7.029 2.325 5.507 1.00 0.00 WT2 H ATOM 33684 H2 TIP3 7142 -18.027 -6.501 -12.913 1.00 0.00 WT2 H ATOM 33685 OH2 TIP3 7143 -0.892 -5.252 0.146 1.00 0.00 WT2 O ATOM 33686 H1 TIP3 7143 3.530 -5.760 -9.962 1.00 0.00 WT2 H ATOM 33687 H2 TIP3 7143 -10.860 -9.662 -0.617 1.00 0.00 WT2 H ATOM 33688 OH2 TIP3 7144 -10.114 5.317 -0.300 1.00 0.00 WT2 O ATOM 33689 H1 TIP3 7144 -6.423 -13.791 -3.110 1.00 0.00 WT2 H ATOM 33690 H2 TIP3 7144 -3.451 7.201 16.873 1.00 0.00 WT2 H ATOM 33691 OH2 TIP3 7145 0.014 -0.708 6.087 1.00 0.00 WT2 O ATOM 33692 H1 TIP3 7145 -1.147 0.004 4.688 1.00 0.00 WT2 H ATOM 33693 H2 TIP3 7145 -3.506 -8.161 10.645 1.00 0.00 WT2 H ATOM 33694 OH2 TIP3 7146 -2.238 -1.215 9.965 1.00 0.00 WT2 O ATOM 33695 H1 TIP3 7146 5.676 15.458 2.200 1.00 0.00 WT2 H ATOM 33696 H2 TIP3 7146 26.399 12.051 -4.387 1.00 0.00 WT2 H ATOM 33697 OH2 TIP3 7147 1.033 -4.393 2.566 1.00 0.00 WT2 O ATOM 33698 H1 TIP3 7147 -3.958 -5.087 34.559 1.00 0.00 WT2 H ATOM 33699 H2 TIP3 7147 3.415 27.611 -4.541 1.00 0.00 WT2 H ATOM 33700 OH2 TIP3 7148 2.079 3.581 2.484 1.00 0.00 WT2 O ATOM 33701 H1 TIP3 7148 10.338 9.936 -16.480 1.00 0.00 WT2 H ATOM 33702 H2 TIP3 7148 -0.053 14.174 4.468 1.00 0.00 WT2 H ATOM 33703 OH2 TIP3 7161 1.800 5.082 -2.448 1.00 0.00 WT2 O ATOM 33704 H1 TIP3 7161 -30.713 11.991 9.154 1.00 0.00 WT2 H ATOM 33705 H2 TIP3 7161 -12.103 -8.515 6.768 1.00 0.00 WT2 H ATOM 33706 OH2 TIP3 7166 0.439 -1.507 1.207 1.00 0.00 WT2 O ATOM 33707 H1 TIP3 7166 13.219 8.805 -15.709 1.00 0.00 WT2 H ATOM 33708 H2 TIP3 7166 -10.902 -5.499 -18.260 1.00 0.00 WT2 H ATOM 33709 OH2 TIP3 7179 1.234 1.152 -0.664 1.00 0.00 WT2 O ATOM 33710 H1 TIP3 7179 -3.606 -5.703 -3.606 1.00 0.00 WT2 H ATOM 33711 H2 TIP3 7179 -6.390 -3.807 -11.508 1.00 0.00 WT2 H ATOM 33712 OH2 TIP3 7181 -4.542 5.233 0.887 1.00 0.00 WT2 O ATOM 33713 H1 TIP3 7181 13.727 8.436 -15.143 1.00 0.00 WT2 H ATOM 33714 H2 TIP3 7181 -10.921 -13.045 -3.337 1.00 0.00 WT2 H ATOM 33715 OH2 TIP3 7182 2.564 -1.892 -5.189 1.00 0.00 WT2 O ATOM 33716 H1 TIP3 7182 -19.123 -12.749 -1.447 1.00 0.00 WT2 H ATOM 33717 H2 TIP3 7182 15.243 2.934 -7.994 1.00 0.00 WT2 H ATOM 33718 OH2 TIP3 7183 5.459 0.028 2.684 1.00 0.00 WT2 O ATOM 33719 H1 TIP3 7183 -11.780 13.688 3.269 1.00 0.00 WT2 H ATOM 33720 H2 TIP3 7183 17.097 -9.920 10.685 1.00 0.00 WT2 H ATOM 33721 OH2 TIP3 7184 -4.496 6.018 -3.122 1.00 0.00 WT2 O ATOM 33722 H1 TIP3 7184 -7.322 -15.294 -19.244 1.00 0.00 WT2 H ATOM 33723 H2 TIP3 7184 -23.268 14.081 -25.676 1.00 0.00 WT2 H ATOM 33724 OH2 TIP3 7185 5.019 -3.321 -0.516 1.00 0.00 WT2 O ATOM 33725 H1 TIP3 7185 5.620 -0.285 0.731 1.00 0.00 WT2 H ATOM 33726 H2 TIP3 7185 6.030 -11.266 -6.956 1.00 0.00 WT2 H ATOM 33727 OH2 TIP3 7186 -9.512 -5.882 -0.900 1.00 0.00 WT2 O ATOM 33728 H1 TIP3 7186 -12.334 -17.421 1.362 1.00 0.00 WT2 H ATOM 33729 H2 TIP3 7186 -1.888 -4.311 -8.613 1.00 0.00 WT2 H ATOM 33730 OH2 TIP3 7187 -0.916 1.824 3.407 1.00 0.00 WT2 O ATOM 33731 H1 TIP3 7187 25.337 5.159 -9.309 1.00 0.00 WT2 H ATOM 33732 H2 TIP3 7187 -6.717 -19.538 16.783 1.00 0.00 WT2 H ATOM 33733 OH2 TIP3 7188 1.972 -3.551 -0.436 1.00 0.00 WT2 O ATOM 33734 H1 TIP3 7188 35.100 1.605 -7.854 1.00 0.00 WT2 H ATOM 33735 H2 TIP3 7188 16.080 -2.952 -4.350 1.00 0.00 WT2 H ATOM 33736 OH2 TIP3 7189 -2.174 -7.651 -7.967 1.00 0.00 WT2 O ATOM 33737 H1 TIP3 7189 11.190 -0.364 -1.420 1.00 0.00 WT2 H ATOM 33738 H2 TIP3 7189 7.450 4.528 5.600 1.00 0.00 WT2 H ATOM 33739 OH2 TIP3 7200 -0.185 -2.119 -1.964 1.00 0.00 WT2 O ATOM 33740 H1 TIP3 7200 -0.919 -2.469 21.189 1.00 0.00 WT2 H ATOM 33741 H2 TIP3 7200 20.703 -36.591 -31.133 1.00 0.00 WT2 H ATOM 33742 OH2 TIP3 7203 3.590 -3.106 5.574 1.00 0.00 WT2 O ATOM 33743 H1 TIP3 7203 -7.760 -16.581 -4.054 1.00 0.00 WT2 H ATOM 33744 H2 TIP3 7203 -3.298 15.304 -0.199 1.00 0.00 WT2 H ATOM 33745 OH2 TIP3 7206 -0.346 0.547 2.630 1.00 0.00 WT2 O ATOM 33746 H1 TIP3 7206 -7.517 -3.772 -5.249 1.00 0.00 WT2 H ATOM 33747 H2 TIP3 7206 7.032 3.354 21.486 1.00 0.00 WT2 H ATOM 33748 OH2 TIP3 7207 -1.620 4.996 2.115 1.00 0.00 WT2 O ATOM 33749 H1 TIP3 7207 -3.193 -12.051 13.531 1.00 0.00 WT2 H ATOM 33750 H2 TIP3 7207 3.909 14.532 -4.209 1.00 0.00 WT2 H ATOM 33751 OH2 TIP3 7210 -5.978 2.361 -2.807 1.00 0.00 WT2 O ATOM 33752 H1 TIP3 7210 -21.066 3.661 -2.701 1.00 0.00 WT2 H ATOM 33753 H2 TIP3 7210 4.321 0.321 -21.507 1.00 0.00 WT2 H ATOM 33754 OH2 TIP3 7211 -7.546 0.599 -5.418 1.00 0.00 WT2 O ATOM 33755 H1 TIP3 7211 5.857 -10.205 -3.599 1.00 0.00 WT2 H ATOM 33756 H2 TIP3 7211 -9.800 11.444 5.837 1.00 0.00 WT2 H ATOM 33757 OH2 TIP3 7212 -11.145 -3.692 -1.466 1.00 0.00 WT2 O ATOM 33758 H1 TIP3 7212 -12.134 -7.151 -1.879 1.00 0.00 WT2 H ATOM 33759 H2 TIP3 7212 -10.756 -10.258 10.599 1.00 0.00 WT2 H ATOM 33760 OH2 TIP3 7213 1.421 4.257 -3.801 1.00 0.00 WT2 O ATOM 33761 H1 TIP3 7213 2.834 -3.396 -1.705 1.00 0.00 WT2 H ATOM 33762 H2 TIP3 7213 7.687 -2.713 -14.373 1.00 0.00 WT2 H ATOM 33763 OH2 TIP3 7222 -0.005 -1.129 -1.135 1.00 0.00 WT2 O ATOM 33764 H1 TIP3 7222 7.125 -26.260 8.935 1.00 0.00 WT2 H ATOM 33765 H2 TIP3 7222 -5.573 4.383 -1.371 1.00 0.00 WT2 H ATOM 33766 OH2 TIP3 7226 -5.194 3.202 -5.677 1.00 0.00 WT2 O ATOM 33767 H1 TIP3 7226 -12.181 -2.867 17.125 1.00 0.00 WT2 H ATOM 33768 H2 TIP3 7226 -8.982 -5.159 6.695 1.00 0.00 WT2 H ATOM 33769 OH2 TIP3 7227 7.080 2.954 -0.696 1.00 0.00 WT2 O ATOM 33770 H1 TIP3 7227 4.426 -20.871 10.883 1.00 0.00 WT2 H ATOM 33771 H2 TIP3 7227 3.870 -14.054 21.373 1.00 0.00 WT2 H ATOM 33772 OH2 TIP3 7228 1.947 4.819 6.156 1.00 0.00 WT2 O ATOM 33773 H1 TIP3 7228 -11.453 -6.931 0.394 1.00 0.00 WT2 H ATOM 33774 H2 TIP3 7228 -2.087 6.782 15.333 1.00 0.00 WT2 H ATOM 33775 OH2 TIP3 7229 2.461 -2.401 -5.480 1.00 0.00 WT2 O ATOM 33776 H1 TIP3 7229 14.534 9.770 -3.563 1.00 0.00 WT2 H ATOM 33777 H2 TIP3 7229 1.023 -0.529 -22.886 1.00 0.00 WT2 H ATOM 33778 OH2 TIP3 7230 3.034 11.686 -6.829 1.00 0.00 WT2 O ATOM 33779 H1 TIP3 7230 6.412 21.424 -10.414 1.00 0.00 WT2 H ATOM 33780 H2 TIP3 7230 20.003 -8.249 -19.264 1.00 0.00 WT2 H ATOM 33781 OH2 TIP3 7246 -2.947 2.738 3.114 1.00 0.00 WT2 O ATOM 33782 H1 TIP3 7246 6.152 -2.152 18.882 1.00 0.00 WT2 H ATOM 33783 H2 TIP3 7246 0.507 -2.280 15.886 1.00 0.00 WT2 H ATOM 33784 OH2 TIP3 7247 -0.308 -6.285 5.537 1.00 0.00 WT2 O ATOM 33785 H1 TIP3 7247 6.212 10.162 6.305 1.00 0.00 WT2 H ATOM 33786 H2 TIP3 7247 5.986 -15.660 -9.557 1.00 0.00 WT2 H ATOM 33787 OH2 TIP3 7248 -1.152 -7.598 -2.750 1.00 0.00 WT2 O ATOM 33788 H1 TIP3 7248 -11.911 -28.077 5.650 1.00 0.00 WT2 H ATOM 33789 H2 TIP3 7248 -11.452 -27.186 5.194 1.00 0.00 WT2 H ATOM 33790 OH2 TIP3 7249 -2.037 0.894 4.105 1.00 0.00 WT2 O ATOM 33791 H1 TIP3 7249 20.477 4.623 10.396 1.00 0.00 WT2 H ATOM 33792 H2 TIP3 7249 6.461 6.502 -11.803 1.00 0.00 WT2 H ATOM 33793 OH2 TIP3 7250 -2.247 -2.678 0.998 1.00 0.00 WT2 O ATOM 33794 H1 TIP3 7250 -13.289 11.606 -1.540 1.00 0.00 WT2 H ATOM 33795 H2 TIP3 7250 16.059 -0.583 10.013 1.00 0.00 WT2 H ATOM 33796 OH2 TIP3 7251 1.936 -4.073 -2.916 1.00 0.00 WT2 O ATOM 33797 H1 TIP3 7251 4.072 1.517 -8.807 1.00 0.00 WT2 H ATOM 33798 H2 TIP3 7251 -2.434 -6.414 -7.127 1.00 0.00 WT2 H ATOM 33799 OH2 TIP3 7253 0.968 4.693 -3.047 1.00 0.00 WT2 O ATOM 33800 H1 TIP3 7253 5.811 11.481 5.765 1.00 0.00 WT2 H ATOM 33801 H2 TIP3 7253 -2.233 -3.929 10.407 1.00 0.00 WT2 H ATOM 33802 OH2 TIP3 7254 -3.583 -0.653 1.293 1.00 0.00 WT2 O ATOM 33803 H1 TIP3 7254 3.365 -18.505 -18.912 1.00 0.00 WT2 H ATOM 33804 H2 TIP3 7254 23.665 -8.116 -15.174 1.00 0.00 WT2 H ATOM 33805 OH2 TIP3 7264 -5.351 6.285 -2.466 1.00 0.00 WT2 O ATOM 33806 H1 TIP3 7264 3.338 18.184 2.836 1.00 0.00 WT2 H ATOM 33807 H2 TIP3 7264 6.256 17.536 0.635 1.00 0.00 WT2 H ATOM 33808 OH2 TIP3 7267 -0.709 -2.011 11.014 1.00 0.00 WT2 O ATOM 33809 H1 TIP3 7267 29.655 2.889 6.598 1.00 0.00 WT2 H ATOM 33810 H2 TIP3 7267 -11.548 -12.143 -16.802 1.00 0.00 WT2 H ATOM 33811 OH2 TIP3 7268 -0.024 -0.711 1.101 1.00 0.00 WT2 O ATOM 33812 H1 TIP3 7268 16.296 10.162 4.877 1.00 0.00 WT2 H ATOM 33813 H2 TIP3 7268 -5.594 16.601 -7.482 1.00 0.00 WT2 H ATOM 33814 OH2 TIP3 7269 -2.198 6.884 -1.262 1.00 0.00 WT2 O ATOM 33815 H1 TIP3 7269 6.073 -3.467 19.046 1.00 0.00 WT2 H ATOM 33816 H2 TIP3 7269 -22.394 -4.223 -0.351 1.00 0.00 WT2 H ATOM 33817 OH2 TIP3 7270 -0.500 5.405 3.892 1.00 0.00 WT2 O ATOM 33818 H1 TIP3 7270 -18.170 3.217 19.444 1.00 0.00 WT2 H ATOM 33819 H2 TIP3 7270 -2.086 -1.914 -1.559 1.00 0.00 WT2 H ATOM 33820 OH2 TIP3 7271 2.674 -6.096 1.765 1.00 0.00 WT2 O ATOM 33821 H1 TIP3 7271 -14.664 -20.225 -10.385 1.00 0.00 WT2 H ATOM 33822 H2 TIP3 7271 -7.484 15.721 -3.417 1.00 0.00 WT2 H ATOM 33823 OH2 TIP3 7272 -0.909 2.360 1.035 1.00 0.00 WT2 O ATOM 33824 H1 TIP3 7272 9.093 -2.551 -5.692 1.00 0.00 WT2 H ATOM 33825 H2 TIP3 7272 5.235 -12.300 10.115 1.00 0.00 WT2 H ATOM 33826 OH2 TIP3 7273 0.629 -1.757 -6.390 1.00 0.00 WT2 O ATOM 33827 H1 TIP3 7273 7.010 6.093 3.983 1.00 0.00 WT2 H ATOM 33828 H2 TIP3 7273 -1.938 -3.219 -16.937 1.00 0.00 WT2 H ATOM 33829 OH2 TIP3 7276 -0.222 -2.954 -2.436 1.00 0.00 WT2 O ATOM 33830 H1 TIP3 7276 -5.932 -23.398 -1.038 1.00 0.00 WT2 H ATOM 33831 H2 TIP3 7276 8.203 12.656 -19.331 1.00 0.00 WT2 H ATOM 33832 OH2 TIP3 7287 -3.847 -2.599 1.641 1.00 0.00 WT2 O ATOM 33833 H1 TIP3 7287 -2.283 -18.742 -0.136 1.00 0.00 WT2 H ATOM 33834 H2 TIP3 7287 34.228 4.515 0.716 1.00 0.00 WT2 H ATOM 33835 OH2 TIP3 7291 8.015 -4.082 -7.279 1.00 0.00 WT2 O ATOM 33836 H1 TIP3 7291 -12.327 -11.191 -9.692 1.00 0.00 WT2 H ATOM 33837 H2 TIP3 7291 8.540 -15.173 0.297 1.00 0.00 WT2 H ATOM 33838 OH2 TIP3 7293 -9.470 2.405 -1.810 1.00 0.00 WT2 O ATOM 33839 H1 TIP3 7293 12.870 13.133 31.529 1.00 0.00 WT2 H ATOM 33840 H2 TIP3 7293 -6.593 -6.303 -4.989 1.00 0.00 WT2 H ATOM 33841 OH2 TIP3 7294 -0.601 -0.484 -0.342 1.00 0.00 WT2 O ATOM 33842 H1 TIP3 7294 -32.477 1.084 -5.955 1.00 0.00 WT2 H ATOM 33843 H2 TIP3 7294 9.329 -7.313 4.932 1.00 0.00 WT2 H ATOM 33844 OH2 TIP3 7297 -1.122 -1.847 -1.312 1.00 0.00 WT2 O ATOM 33845 H1 TIP3 7297 -10.830 -2.137 -14.143 1.00 0.00 WT2 H ATOM 33846 H2 TIP3 7297 13.859 13.662 13.051 1.00 0.00 WT2 H ATOM 33847 OH2 TIP3 7307 0.437 -0.323 -0.316 1.00 0.00 WT2 O ATOM 33848 H1 TIP3 7307 -9.436 4.714 8.374 1.00 0.00 WT2 H ATOM 33849 H2 TIP3 7307 17.833 7.506 3.617 1.00 0.00 WT2 H ATOM 33850 OH2 TIP3 7310 3.182 2.962 -1.620 1.00 0.00 WT2 O ATOM 33851 H1 TIP3 7310 -5.147 14.000 -5.689 1.00 0.00 WT2 H ATOM 33852 H2 TIP3 7310 0.480 3.919 -22.766 1.00 0.00 WT2 H ATOM 33853 OH2 TIP3 7311 8.329 5.999 -1.315 1.00 0.00 WT2 O ATOM 33854 H1 TIP3 7311 8.213 3.358 -7.510 1.00 0.00 WT2 H ATOM 33855 H2 TIP3 7311 -1.110 10.682 4.811 1.00 0.00 WT2 H ATOM 33856 OH2 TIP3 7312 11.267 1.677 -2.821 1.00 0.00 WT2 O ATOM 33857 H1 TIP3 7312 -11.534 -0.702 -2.955 1.00 0.00 WT2 H ATOM 33858 H2 TIP3 7312 12.354 1.803 -6.136 1.00 0.00 WT2 H ATOM 33859 OH2 TIP3 7313 5.961 -1.966 -1.465 1.00 0.00 WT2 O ATOM 33860 H1 TIP3 7313 5.628 -19.408 16.628 1.00 0.00 WT2 H ATOM 33861 H2 TIP3 7313 -12.601 19.923 -3.988 1.00 0.00 WT2 H ATOM 33862 OH2 TIP3 7314 4.022 0.151 -7.855 1.00 0.00 WT2 O ATOM 33863 H1 TIP3 7314 5.817 0.988 -3.077 1.00 0.00 WT2 H ATOM 33864 H2 TIP3 7314 3.093 -0.924 -8.708 1.00 0.00 WT2 H ATOM 33865 OH2 TIP3 7315 0.916 2.581 -2.491 1.00 0.00 WT2 O ATOM 33866 H1 TIP3 7315 1.705 -4.985 12.844 1.00 0.00 WT2 H ATOM 33867 H2 TIP3 7315 -13.970 -5.446 -15.056 1.00 0.00 WT2 H ATOM 33868 OH2 TIP3 7328 -5.875 -0.530 -2.547 1.00 0.00 WT2 O ATOM 33869 H1 TIP3 7328 0.083 9.347 -5.505 1.00 0.00 WT2 H ATOM 33870 H2 TIP3 7328 -23.753 -4.018 -19.475 1.00 0.00 WT2 H ATOM 33871 OH2 TIP3 7331 2.135 -0.970 -4.009 1.00 0.00 WT2 O ATOM 33872 H1 TIP3 7331 4.229 4.771 3.226 1.00 0.00 WT2 H ATOM 33873 H2 TIP3 7331 5.975 1.472 -0.933 1.00 0.00 WT2 H ATOM 33874 OH2 TIP3 7333 -1.350 4.785 0.361 1.00 0.00 WT2 O ATOM 33875 H1 TIP3 7333 -2.832 -9.391 -8.078 1.00 0.00 WT2 H ATOM 33876 H2 TIP3 7333 -4.640 13.027 -8.268 1.00 0.00 WT2 H ATOM 33877 OH2 TIP3 7334 -4.919 -1.974 4.344 1.00 0.00 WT2 O ATOM 33878 H1 TIP3 7334 6.767 1.663 -15.102 1.00 0.00 WT2 H ATOM 33879 H2 TIP3 7334 -28.419 -3.333 -0.918 1.00 0.00 WT2 H ATOM 33880 OH2 TIP3 7335 1.499 -0.078 2.180 1.00 0.00 WT2 O ATOM 33881 H1 TIP3 7335 1.745 -3.920 2.497 1.00 0.00 WT2 H ATOM 33882 H2 TIP3 7335 4.382 -13.245 -6.001 1.00 0.00 WT2 H ATOM 33883 OH2 TIP3 7336 10.620 -0.541 4.766 1.00 0.00 WT2 O ATOM 33884 H1 TIP3 7336 16.540 -1.206 15.094 1.00 0.00 WT2 H ATOM 33885 H2 TIP3 7336 -4.145 12.782 -23.631 1.00 0.00 WT2 H ATOM 33886 OH2 TIP3 7339 5.362 0.249 -5.625 1.00 0.00 WT2 O ATOM 33887 H1 TIP3 7339 4.494 5.691 -9.831 1.00 0.00 WT2 H ATOM 33888 H2 TIP3 7339 1.922 0.756 -7.280 1.00 0.00 WT2 H ATOM 33889 OH2 TIP3 7351 2.091 -7.371 -1.624 1.00 0.00 WT2 O ATOM 33890 H1 TIP3 7351 6.434 -3.456 2.041 1.00 0.00 WT2 H ATOM 33891 H2 TIP3 7351 -21.963 -30.060 -16.442 1.00 0.00 WT2 H ATOM 33892 OH2 TIP3 7352 -0.377 -1.076 2.177 1.00 0.00 WT2 O ATOM 33893 H1 TIP3 7352 -23.635 -9.519 -11.935 1.00 0.00 WT2 H ATOM 33894 H2 TIP3 7352 20.429 10.738 6.308 1.00 0.00 WT2 H ATOM 33895 OH2 TIP3 7353 -4.820 0.645 -4.740 1.00 0.00 WT2 O ATOM 33896 H1 TIP3 7353 0.735 -10.931 3.078 1.00 0.00 WT2 H ATOM 33897 H2 TIP3 7353 -7.439 -7.991 -7.492 1.00 0.00 WT2 H ATOM 33898 OH2 TIP3 7354 3.516 -4.239 -0.633 1.00 0.00 WT2 O ATOM 33899 H1 TIP3 7354 -5.410 -9.872 -1.387 1.00 0.00 WT2 H ATOM 33900 H2 TIP3 7354 4.752 2.221 -10.019 1.00 0.00 WT2 H ATOM 33901 OH2 TIP3 7355 -0.832 -1.273 3.633 1.00 0.00 WT2 O ATOM 33902 H1 TIP3 7355 0.837 -22.128 -7.739 1.00 0.00 WT2 H ATOM 33903 H2 TIP3 7355 19.086 -0.157 12.159 1.00 0.00 WT2 H ATOM 33904 OH2 TIP3 7356 -3.915 -2.712 -4.148 1.00 0.00 WT2 O ATOM 33905 H1 TIP3 7356 -3.311 -31.860 16.346 1.00 0.00 WT2 H ATOM 33906 H2 TIP3 7356 -6.646 15.691 -14.149 1.00 0.00 WT2 H ATOM 33907 OH2 TIP3 7357 -1.806 1.556 1.559 1.00 0.00 WT2 O ATOM 33908 H1 TIP3 7357 -2.922 0.659 2.639 1.00 0.00 WT2 H ATOM 33909 H2 TIP3 7357 1.701 2.591 -19.908 1.00 0.00 WT2 H ATOM 33910 OH2 TIP3 7359 -4.652 7.489 -1.403 1.00 0.00 WT2 O ATOM 33911 H1 TIP3 7359 0.486 3.253 0.122 1.00 0.00 WT2 H ATOM 33912 H2 TIP3 7359 -8.512 -10.244 -3.151 1.00 0.00 WT2 H ATOM 33913 OH2 TIP3 7370 4.890 9.938 -1.846 1.00 0.00 WT2 O ATOM 33914 H1 TIP3 7370 5.864 12.360 -0.628 1.00 0.00 WT2 H ATOM 33915 H2 TIP3 7370 3.846 4.049 -3.082 1.00 0.00 WT2 H ATOM 33916 OH2 TIP3 7371 -1.553 -3.378 -0.247 1.00 0.00 WT2 O ATOM 33917 H1 TIP3 7371 14.457 -8.820 17.484 1.00 0.00 WT2 H ATOM 33918 H2 TIP3 7371 7.752 5.706 -9.279 1.00 0.00 WT2 H ATOM 33919 OH2 TIP3 7374 -3.205 3.445 3.358 1.00 0.00 WT2 O ATOM 33920 H1 TIP3 7374 1.497 -10.175 -7.660 1.00 0.00 WT2 H ATOM 33921 H2 TIP3 7374 -3.576 -3.035 10.370 1.00 0.00 WT2 H ATOM 33922 OH2 TIP3 7376 -1.006 -3.356 2.425 1.00 0.00 WT2 O ATOM 33923 H1 TIP3 7376 0.466 -10.766 -8.974 1.00 0.00 WT2 H ATOM 33924 H2 TIP3 7376 -1.739 -15.373 40.786 1.00 0.00 WT2 H ATOM 33925 OH2 TIP3 7378 -0.283 -1.509 7.326 1.00 0.00 WT2 O ATOM 33926 H1 TIP3 7378 6.277 0.688 15.737 1.00 0.00 WT2 H ATOM 33927 H2 TIP3 7378 -3.025 -8.325 6.104 1.00 0.00 WT2 H ATOM 33928 OH2 TIP3 7379 -2.676 3.127 1.495 1.00 0.00 WT2 O ATOM 33929 H1 TIP3 7379 -1.701 -1.428 1.578 1.00 0.00 WT2 H ATOM 33930 H2 TIP3 7379 2.467 5.266 -1.604 1.00 0.00 WT2 H ATOM 33931 OH2 TIP3 7380 2.244 1.676 -0.030 1.00 0.00 WT2 O ATOM 33932 H1 TIP3 7380 2.473 3.351 -0.137 1.00 0.00 WT2 H ATOM 33933 H2 TIP3 7380 2.308 3.150 2.890 1.00 0.00 WT2 H ATOM 33934 OH2 TIP3 7382 -1.587 3.225 2.166 1.00 0.00 WT2 O ATOM 33935 H1 TIP3 7382 -14.654 -15.870 -1.589 1.00 0.00 WT2 H ATOM 33936 H2 TIP3 7382 -7.912 4.954 -5.887 1.00 0.00 WT2 H ATOM 33937 OH2 TIP3 7393 4.651 -1.112 3.755 1.00 0.00 WT2 O ATOM 33938 H1 TIP3 7393 7.375 -9.824 -1.983 1.00 0.00 WT2 H ATOM 33939 H2 TIP3 7393 -3.456 0.771 2.911 1.00 0.00 WT2 H ATOM 33940 OH2 TIP3 7394 4.747 -1.186 -5.747 1.00 0.00 WT2 O ATOM 33941 H1 TIP3 7394 1.993 0.375 -12.205 1.00 0.00 WT2 H ATOM 33942 H2 TIP3 7394 2.303 -0.544 -13.799 1.00 0.00 WT2 H ATOM 33943 OH2 TIP3 7395 1.427 -4.502 2.416 1.00 0.00 WT2 O ATOM 33944 H1 TIP3 7395 7.743 17.843 11.247 1.00 0.00 WT2 H ATOM 33945 H2 TIP3 7395 1.469 -7.381 -6.461 1.00 0.00 WT2 H ATOM 33946 OH2 TIP3 7396 -4.694 1.900 -3.224 1.00 0.00 WT2 O ATOM 33947 H1 TIP3 7396 -5.501 -2.947 -1.061 1.00 0.00 WT2 H ATOM 33948 H2 TIP3 7396 -2.679 13.415 -6.982 1.00 0.00 WT2 H ATOM 33949 OH2 TIP3 7397 1.662 -1.313 -0.924 1.00 0.00 WT2 O ATOM 33950 H1 TIP3 7397 -0.910 0.266 -7.126 1.00 0.00 WT2 H ATOM 33951 H2 TIP3 7397 1.311 -6.150 0.160 1.00 0.00 WT2 H ATOM 33952 OH2 TIP3 7398 4.431 -3.101 -1.250 1.00 0.00 WT2 O ATOM 33953 H1 TIP3 7398 -21.540 16.515 -5.036 1.00 0.00 WT2 H ATOM 33954 H2 TIP3 7398 25.430 -17.306 -4.287 1.00 0.00 WT2 H ATOM 33955 OH2 TIP3 7399 0.994 -1.297 6.013 1.00 0.00 WT2 O ATOM 33956 H1 TIP3 7399 4.576 6.337 6.295 1.00 0.00 WT2 H ATOM 33957 H2 TIP3 7399 -7.615 13.012 9.227 1.00 0.00 WT2 H ATOM 33958 OH2 TIP3 7400 -4.743 0.564 2.191 1.00 0.00 WT2 O ATOM 33959 H1 TIP3 7400 -10.700 6.262 -16.828 1.00 0.00 WT2 H ATOM 33960 H2 TIP3 7400 -12.569 3.166 -15.387 1.00 0.00 WT2 H ATOM 33961 OH2 TIP3 7415 -1.822 -2.984 1.057 1.00 0.00 WT2 O ATOM 33962 H1 TIP3 7415 2.856 5.240 6.193 1.00 0.00 WT2 H ATOM 33963 H2 TIP3 7415 16.892 2.627 1.191 1.00 0.00 WT2 H ATOM 33964 OH2 TIP3 7416 -5.754 -5.292 0.452 1.00 0.00 WT2 O ATOM 33965 H1 TIP3 7416 -20.811 -4.879 3.417 1.00 0.00 WT2 H ATOM 33966 H2 TIP3 7416 -2.517 -15.400 -7.882 1.00 0.00 WT2 H ATOM 33967 OH2 TIP3 7418 -4.250 3.649 -1.288 1.00 0.00 WT2 O ATOM 33968 H1 TIP3 7418 1.141 1.250 9.809 1.00 0.00 WT2 H ATOM 33969 H2 TIP3 7418 -7.496 14.575 0.510 1.00 0.00 WT2 H ATOM 33970 OH2 TIP3 7419 1.264 2.314 0.034 1.00 0.00 WT2 O ATOM 33971 H1 TIP3 7419 -0.850 -11.290 8.162 1.00 0.00 WT2 H ATOM 33972 H2 TIP3 7419 3.810 -13.471 3.884 1.00 0.00 WT2 H ATOM 33973 OH2 TIP3 7420 -5.702 -0.620 0.497 1.00 0.00 WT2 O ATOM 33974 H1 TIP3 7420 -2.984 4.331 0.207 1.00 0.00 WT2 H ATOM 33975 H2 TIP3 7420 -12.100 -4.874 -0.430 1.00 0.00 WT2 H ATOM 33976 OH2 TIP3 7421 -2.756 -8.592 5.525 1.00 0.00 WT2 O ATOM 33977 H1 TIP3 7421 9.852 -3.455 -10.491 1.00 0.00 WT2 H ATOM 33978 H2 TIP3 7421 -8.532 -7.446 30.447 1.00 0.00 WT2 H ATOM 33979 OH2 TIP3 7422 3.224 0.854 2.878 1.00 0.00 WT2 O ATOM 33980 H1 TIP3 7422 13.407 10.648 17.858 1.00 0.00 WT2 H ATOM 33981 H2 TIP3 7422 32.423 -11.536 -12.748 1.00 0.00 WT2 H ATOM 33982 OH2 TIP3 7434 2.395 -9.485 -1.339 1.00 0.00 WT2 O ATOM 33983 H1 TIP3 7434 -3.209 -0.187 2.730 1.00 0.00 WT2 H ATOM 33984 H2 TIP3 7434 8.514 -7.726 -2.319 1.00 0.00 WT2 H ATOM 33985 OH2 TIP3 7435 3.807 -2.183 -3.296 1.00 0.00 WT2 O ATOM 33986 H1 TIP3 7435 0.302 13.458 -3.329 1.00 0.00 WT2 H ATOM 33987 H2 TIP3 7435 12.163 -5.137 -17.103 1.00 0.00 WT2 H ATOM 33988 OH2 TIP3 7437 1.523 1.499 5.347 1.00 0.00 WT2 O ATOM 33989 H1 TIP3 7437 25.370 -19.159 7.065 1.00 0.00 WT2 H ATOM 33990 H2 TIP3 7437 -23.073 4.402 -12.170 1.00 0.00 WT2 H ATOM 33991 OH2 TIP3 7438 1.585 -5.985 -1.522 1.00 0.00 WT2 O ATOM 33992 H1 TIP3 7438 10.624 6.547 -15.120 1.00 0.00 WT2 H ATOM 33993 H2 TIP3 7438 5.323 -6.059 -2.166 1.00 0.00 WT2 H ATOM 33994 OH2 TIP3 7439 7.884 2.464 -5.219 1.00 0.00 WT2 O ATOM 33995 H1 TIP3 7439 5.322 -4.142 -1.332 1.00 0.00 WT2 H ATOM 33996 H2 TIP3 7439 -21.281 -30.932 1.454 1.00 0.00 WT2 H ATOM 33997 OH2 TIP3 7440 -4.716 5.135 -0.604 1.00 0.00 WT2 O ATOM 33998 H1 TIP3 7440 0.085 11.759 -13.261 1.00 0.00 WT2 H ATOM 33999 H2 TIP3 7440 -24.046 -12.559 15.118 1.00 0.00 WT2 H ATOM 34000 OH2 TIP3 7441 1.196 0.596 1.117 1.00 0.00 WT2 O ATOM 34001 H1 TIP3 7441 5.825 -1.032 -0.828 1.00 0.00 WT2 H ATOM 34002 H2 TIP3 7441 0.474 0.308 1.901 1.00 0.00 WT2 H ATOM 34003 OH2 TIP3 7443 7.326 3.479 -7.962 1.00 0.00 WT2 O ATOM 34004 H1 TIP3 7443 4.897 9.575 -14.975 1.00 0.00 WT2 H ATOM 34005 H2 TIP3 7443 17.667 5.863 -10.110 1.00 0.00 WT2 H ATOM 34006 OH2 TIP3 7454 8.228 1.855 0.067 1.00 0.00 WT2 O ATOM 34007 H1 TIP3 7454 -0.927 -0.837 6.598 1.00 0.00 WT2 H ATOM 34008 H2 TIP3 7454 -1.006 17.715 -3.887 1.00 0.00 WT2 H ATOM 34009 OH2 TIP3 7455 7.152 -6.018 4.117 1.00 0.00 WT2 O ATOM 34010 H1 TIP3 7455 0.625 -19.021 -13.964 1.00 0.00 WT2 H ATOM 34011 H2 TIP3 7455 25.180 -6.817 6.211 1.00 0.00 WT2 H ATOM 34012 OH2 TIP3 7457 4.852 -1.318 0.050 1.00 0.00 WT2 O ATOM 34013 H1 TIP3 7457 -4.802 -7.113 6.894 1.00 0.00 WT2 H ATOM 34014 H2 TIP3 7457 -0.793 11.299 -1.705 1.00 0.00 WT2 H ATOM 34015 OH2 TIP3 7461 5.295 1.454 -5.750 1.00 0.00 WT2 O ATOM 34016 H1 TIP3 7461 -4.339 -6.931 -8.920 1.00 0.00 WT2 H ATOM 34017 H2 TIP3 7461 -5.395 -2.587 -14.098 1.00 0.00 WT2 H ATOM 34018 OH2 TIP3 7463 -3.674 1.828 -0.354 1.00 0.00 WT2 O ATOM 34019 H1 TIP3 7463 -7.084 -2.801 1.718 1.00 0.00 WT2 H ATOM 34020 H2 TIP3 7463 -5.738 4.813 -4.535 1.00 0.00 WT2 H ATOM 34021 OH2 TIP3 7475 -2.331 -5.572 -0.500 1.00 0.00 WT2 O ATOM 34022 H1 TIP3 7475 -1.556 -2.772 -2.688 1.00 0.00 WT2 H ATOM 34023 H2 TIP3 7475 3.042 1.766 -0.012 1.00 0.00 WT2 H ATOM 34024 OH2 TIP3 7477 0.683 -7.397 5.563 1.00 0.00 WT2 O ATOM 34025 H1 TIP3 7477 -5.307 -17.019 -15.157 1.00 0.00 WT2 H ATOM 34026 H2 TIP3 7477 19.698 -8.998 -0.983 1.00 0.00 WT2 H ATOM 34027 OH2 TIP3 7479 3.393 1.235 5.691 1.00 0.00 WT2 O ATOM 34028 H1 TIP3 7479 -8.767 15.581 2.034 1.00 0.00 WT2 H ATOM 34029 H2 TIP3 7479 -13.472 -15.720 -2.169 1.00 0.00 WT2 H ATOM 34030 OH2 TIP3 7480 -0.108 2.317 -0.140 1.00 0.00 WT2 O ATOM 34031 H1 TIP3 7480 -0.810 1.436 2.555 1.00 0.00 WT2 H ATOM 34032 H2 TIP3 7480 -2.758 5.049 3.376 1.00 0.00 WT2 H ATOM 34033 OH2 TIP3 7481 2.948 1.632 2.392 1.00 0.00 WT2 O ATOM 34034 H1 TIP3 7481 7.058 -3.515 6.030 1.00 0.00 WT2 H ATOM 34035 H2 TIP3 7481 -0.541 10.616 17.655 1.00 0.00 WT2 H ATOM 34036 OH2 TIP3 7489 -6.918 -4.396 -0.828 1.00 0.00 WT2 O ATOM 34037 H1 TIP3 7489 -9.888 24.018 19.595 1.00 0.00 WT2 H ATOM 34038 H2 TIP3 7489 9.735 -21.338 -7.702 1.00 0.00 WT2 H ATOM 34039 OH2 TIP3 7493 -4.075 3.206 -7.433 1.00 0.00 WT2 O ATOM 34040 H1 TIP3 7493 -13.386 12.405 -0.498 1.00 0.00 WT2 H ATOM 34041 H2 TIP3 7493 13.367 -0.702 4.734 1.00 0.00 WT2 H ATOM 34042 OH2 TIP3 7496 -0.808 4.824 -2.137 1.00 0.00 WT2 O ATOM 34043 H1 TIP3 7496 6.366 9.299 8.731 1.00 0.00 WT2 H ATOM 34044 H2 TIP3 7496 1.773 6.893 1.595 1.00 0.00 WT2 H ATOM 34045 OH2 TIP3 7498 -1.325 -3.437 -3.830 1.00 0.00 WT2 O ATOM 34046 H1 TIP3 7498 -24.584 -6.572 -2.569 1.00 0.00 WT2 H ATOM 34047 H2 TIP3 7498 13.871 -17.672 30.967 1.00 0.00 WT2 H ATOM 34048 OH2 TIP3 7499 7.310 7.895 3.176 1.00 0.00 WT2 O ATOM 34049 H1 TIP3 7499 16.162 12.166 -6.029 1.00 0.00 WT2 H ATOM 34050 H2 TIP3 7499 -17.058 7.031 -9.933 1.00 0.00 WT2 H ATOM 34051 OH2 TIP3 7500 -2.733 -3.600 2.196 1.00 0.00 WT2 O ATOM 34052 H1 TIP3 7500 -8.479 -2.404 -0.864 1.00 0.00 WT2 H ATOM 34053 H2 TIP3 7500 -5.953 4.172 -1.629 1.00 0.00 WT2 H ATOM 34054 OH2 TIP3 7501 -0.573 5.815 -2.568 1.00 0.00 WT2 O ATOM 34055 H1 TIP3 7501 7.312 -17.268 28.680 1.00 0.00 WT2 H ATOM 34056 H2 TIP3 7501 -3.341 17.446 -16.273 1.00 0.00 WT2 H ATOM 34057 OH2 TIP3 7502 -2.303 -0.965 -0.738 1.00 0.00 WT2 O ATOM 34058 H1 TIP3 7502 -8.892 -9.240 13.463 1.00 0.00 WT2 H ATOM 34059 H2 TIP3 7502 16.846 -0.793 -3.454 1.00 0.00 WT2 H ATOM 34060 OH2 TIP3 7503 -4.605 2.481 4.202 1.00 0.00 WT2 O ATOM 34061 H1 TIP3 7503 10.514 19.137 15.208 1.00 0.00 WT2 H ATOM 34062 H2 TIP3 7503 12.352 27.153 11.570 1.00 0.00 WT2 H ATOM 34063 OH2 TIP3 7504 -4.106 -1.486 1.672 1.00 0.00 WT2 O ATOM 34064 H1 TIP3 7504 -6.985 -5.187 7.798 1.00 0.00 WT2 H ATOM 34065 H2 TIP3 7504 -2.556 -11.210 -6.296 1.00 0.00 WT2 H ATOM 34066 OH2 TIP3 7510 6.572 -1.943 -0.059 1.00 0.00 WT2 O ATOM 34067 H1 TIP3 7510 -3.970 0.312 6.786 1.00 0.00 WT2 H ATOM 34068 H2 TIP3 7510 -16.793 -32.246 16.786 1.00 0.00 WT2 H ATOM 34069 OH2 TIP3 7515 5.183 1.905 -3.934 1.00 0.00 WT2 O ATOM 34070 H1 TIP3 7515 26.318 9.448 -20.124 1.00 0.00 WT2 H ATOM 34071 H2 TIP3 7515 -8.666 -2.775 7.844 1.00 0.00 WT2 H ATOM 34072 OH2 TIP3 7518 -0.746 -2.217 -3.652 1.00 0.00 WT2 O ATOM 34073 H1 TIP3 7518 7.400 -11.763 16.042 1.00 0.00 WT2 H ATOM 34074 H2 TIP3 7518 -17.317 5.308 5.351 1.00 0.00 WT2 H ATOM 34075 OH2 TIP3 7519 8.808 -7.012 -2.309 1.00 0.00 WT2 O ATOM 34076 H1 TIP3 7519 9.973 -17.553 -3.425 1.00 0.00 WT2 H ATOM 34077 H2 TIP3 7519 19.328 -6.921 3.603 1.00 0.00 WT2 H ATOM 34078 OH2 TIP3 7521 -3.289 -6.402 -2.969 1.00 0.00 WT2 O ATOM 34079 H1 TIP3 7521 19.068 -4.754 11.691 1.00 0.00 WT2 H ATOM 34080 H2 TIP3 7521 -25.244 -27.180 -2.249 1.00 0.00 WT2 H ATOM 34081 OH2 TIP3 7522 -5.532 1.766 -1.644 1.00 0.00 WT2 O ATOM 34082 H1 TIP3 7522 -5.071 5.124 -4.585 1.00 0.00 WT2 H ATOM 34083 H2 TIP3 7522 2.370 8.989 0.331 1.00 0.00 WT2 H ATOM 34084 OH2 TIP3 7523 -4.568 -2.557 -2.074 1.00 0.00 WT2 O ATOM 34085 H1 TIP3 7523 11.620 14.561 1.181 1.00 0.00 WT2 H ATOM 34086 H2 TIP3 7523 -2.080 -16.203 5.336 1.00 0.00 WT2 H ATOM 34087 OH2 TIP3 7525 -0.267 -3.823 0.039 1.00 0.00 WT2 O ATOM 34088 H1 TIP3 7525 6.176 -7.494 5.282 1.00 0.00 WT2 H ATOM 34089 H2 TIP3 7525 -7.343 -5.664 0.441 1.00 0.00 WT2 H ATOM 34090 OH2 TIP3 7526 1.296 -1.726 -3.555 1.00 0.00 WT2 O ATOM 34091 H1 TIP3 7526 -1.976 -2.123 -13.814 1.00 0.00 WT2 H ATOM 34092 H2 TIP3 7526 10.942 -6.418 -3.813 1.00 0.00 WT2 H ATOM 34093 OH2 TIP3 7541 -5.280 -4.591 4.651 1.00 0.00 WT2 O ATOM 34094 H1 TIP3 7541 -1.026 15.589 2.451 1.00 0.00 WT2 H ATOM 34095 H2 TIP3 7541 -5.837 0.046 -8.723 1.00 0.00 WT2 H ATOM 34096 OH2 TIP3 7543 -2.487 -4.955 2.570 1.00 0.00 WT2 O ATOM 34097 H1 TIP3 7543 2.144 8.363 13.265 1.00 0.00 WT2 H ATOM 34098 H2 TIP3 7543 4.493 -19.256 -2.984 1.00 0.00 WT2 H ATOM 34099 OH2 TIP3 7544 5.475 7.402 -3.731 1.00 0.00 WT2 O ATOM 34100 H1 TIP3 7544 9.436 5.048 0.272 1.00 0.00 WT2 H ATOM 34101 H2 TIP3 7544 33.004 19.528 -1.730 1.00 0.00 WT2 H ATOM 34102 OH2 TIP3 7545 -1.592 -0.167 -2.910 1.00 0.00 WT2 O ATOM 34103 H1 TIP3 7545 -14.082 -17.262 -7.923 1.00 0.00 WT2 H ATOM 34104 H2 TIP3 7545 -16.261 -14.837 16.667 1.00 0.00 WT2 H ATOM 34105 OH2 TIP3 7549 5.563 -3.987 -0.294 1.00 0.00 WT2 O ATOM 34106 H1 TIP3 7549 3.312 -11.393 1.636 1.00 0.00 WT2 H ATOM 34107 H2 TIP3 7549 18.722 21.319 5.763 1.00 0.00 WT2 H ATOM 34108 OH2 TIP3 7559 -1.944 -2.745 -3.007 1.00 0.00 WT2 O ATOM 34109 H1 TIP3 7559 7.525 0.096 37.499 1.00 0.00 WT2 H ATOM 34110 H2 TIP3 7559 19.232 17.952 -23.352 1.00 0.00 WT2 H ATOM 34111 OH2 TIP3 7561 -2.003 7.361 0.387 1.00 0.00 WT2 O ATOM 34112 H1 TIP3 7561 -4.597 -9.772 11.376 1.00 0.00 WT2 H ATOM 34113 H2 TIP3 7561 -10.768 17.941 9.408 1.00 0.00 WT2 H ATOM 34114 OH2 TIP3 7563 8.846 2.810 4.503 1.00 0.00 WT2 O ATOM 34115 H1 TIP3 7563 -1.797 14.851 0.680 1.00 0.00 WT2 H ATOM 34116 H2 TIP3 7563 1.418 -2.460 6.302 1.00 0.00 WT2 H ATOM 34117 OH2 TIP3 7564 7.313 -7.588 -0.480 1.00 0.00 WT2 O ATOM 34118 H1 TIP3 7564 7.423 -0.558 20.716 1.00 0.00 WT2 H ATOM 34119 H2 TIP3 7564 13.585 5.127 8.739 1.00 0.00 WT2 H ATOM 34120 OH2 TIP3 7565 1.791 3.317 1.548 1.00 0.00 WT2 O ATOM 34121 H1 TIP3 7565 1.159 5.833 3.981 1.00 0.00 WT2 H ATOM 34122 H2 TIP3 7565 5.022 4.150 -2.473 1.00 0.00 WT2 H ATOM 34123 OH2 TIP3 7566 4.982 2.249 0.215 1.00 0.00 WT2 O ATOM 34124 H1 TIP3 7566 0.535 4.311 -13.336 1.00 0.00 WT2 H ATOM 34125 H2 TIP3 7566 8.226 7.136 -7.895 1.00 0.00 WT2 H ATOM 34126 OH2 TIP3 7567 2.096 -0.769 0.616 1.00 0.00 WT2 O ATOM 34127 H1 TIP3 7567 1.858 2.599 -5.995 1.00 0.00 WT2 H ATOM 34128 H2 TIP3 7567 0.728 -14.576 10.788 1.00 0.00 WT2 H ATOM 34129 OH2 TIP3 7582 3.637 1.314 -1.326 1.00 0.00 WT2 O ATOM 34130 H1 TIP3 7582 -24.196 -3.769 -14.213 1.00 0.00 WT2 H ATOM 34131 H2 TIP3 7582 16.147 1.294 1.441 1.00 0.00 WT2 H ATOM 34132 OH2 TIP3 7584 3.625 -4.573 -1.910 1.00 0.00 WT2 O ATOM 34133 H1 TIP3 7584 -16.628 8.909 -14.873 1.00 0.00 WT2 H ATOM 34134 H2 TIP3 7584 16.630 -4.388 -22.977 1.00 0.00 WT2 H ATOM 34135 OH2 TIP3 7586 8.067 0.062 -1.428 1.00 0.00 WT2 O ATOM 34136 H1 TIP3 7586 3.352 -4.901 3.592 1.00 0.00 WT2 H ATOM 34137 H2 TIP3 7586 2.722 0.366 -7.647 1.00 0.00 WT2 H ATOM 34138 OH2 TIP3 7587 -0.442 2.413 -5.064 1.00 0.00 WT2 O ATOM 34139 H1 TIP3 7587 25.706 2.787 7.354 1.00 0.00 WT2 H ATOM 34140 H2 TIP3 7587 -24.929 -18.912 -6.072 1.00 0.00 WT2 H ATOM 34141 OH2 TIP3 7594 3.662 0.200 -1.558 1.00 0.00 WT2 O ATOM 34142 H1 TIP3 7594 -4.501 -5.026 -3.821 1.00 0.00 WT2 H ATOM 34143 H2 TIP3 7594 24.559 -20.410 -6.613 1.00 0.00 WT2 H ATOM 34144 OH2 TIP3 7602 -0.233 -0.340 -4.232 1.00 0.00 WT2 O ATOM 34145 H1 TIP3 7602 -32.142 10.283 3.949 1.00 0.00 WT2 H ATOM 34146 H2 TIP3 7602 15.223 22.968 4.187 1.00 0.00 WT2 H ATOM 34147 OH2 TIP3 7603 4.528 0.496 2.908 1.00 0.00 WT2 O ATOM 34148 H1 TIP3 7603 6.976 -2.340 3.822 1.00 0.00 WT2 H ATOM 34149 H2 TIP3 7603 5.972 3.702 3.492 1.00 0.00 WT2 H ATOM 34150 OH2 TIP3 7605 -1.787 -2.426 -2.813 1.00 0.00 WT2 O ATOM 34151 H1 TIP3 7605 7.320 -13.995 -32.804 1.00 0.00 WT2 H ATOM 34152 H2 TIP3 7605 -0.414 -1.305 7.499 1.00 0.00 WT2 H ATOM 34153 OH2 TIP3 7608 4.333 0.836 3.586 1.00 0.00 WT2 O ATOM 34154 H1 TIP3 7608 4.402 17.171 5.131 1.00 0.00 WT2 H ATOM 34155 H2 TIP3 7608 -9.290 -0.868 -5.376 1.00 0.00 WT2 H ATOM 34156 OH2 TIP3 7612 0.175 2.598 0.863 1.00 0.00 WT2 O ATOM 34157 H1 TIP3 7612 4.447 2.487 14.820 1.00 0.00 WT2 H ATOM 34158 H2 TIP3 7612 3.376 21.824 -15.553 1.00 0.00 WT2 H ATOM 34159 OH2 TIP3 7625 2.580 -0.352 1.850 1.00 0.00 WT2 O ATOM 34160 H1 TIP3 7625 -32.872 -9.635 -7.167 1.00 0.00 WT2 H ATOM 34161 H2 TIP3 7625 -1.043 6.453 19.511 1.00 0.00 WT2 H ATOM 34162 OH2 TIP3 7626 -4.222 -6.630 0.264 1.00 0.00 WT2 O ATOM 34163 H1 TIP3 7626 8.526 -1.231 5.385 1.00 0.00 WT2 H ATOM 34164 H2 TIP3 7626 -2.383 2.658 -0.202 1.00 0.00 WT2 H ATOM 34165 OH2 TIP3 7628 -3.489 -2.417 1.247 1.00 0.00 WT2 O ATOM 34166 H1 TIP3 7628 -0.876 -17.862 -13.417 1.00 0.00 WT2 H ATOM 34167 H2 TIP3 7628 4.398 -2.513 16.601 1.00 0.00 WT2 H ATOM 34168 OH2 TIP3 7630 0.890 -3.881 3.233 1.00 0.00 WT2 O ATOM 34169 H1 TIP3 7630 -17.637 0.957 -14.481 1.00 0.00 WT2 H ATOM 34170 H2 TIP3 7630 8.320 -3.290 13.792 1.00 0.00 WT2 H ATOM 34171 OH2 TIP3 7631 0.039 3.002 -0.812 1.00 0.00 WT2 O ATOM 34172 H1 TIP3 7631 -11.024 -0.420 11.239 1.00 0.00 WT2 H ATOM 34173 H2 TIP3 7631 -2.039 21.648 -3.805 1.00 0.00 WT2 H ATOM 34174 OH2 TIP3 7643 3.091 1.762 4.246 1.00 0.00 WT2 O ATOM 34175 H1 TIP3 7643 10.848 12.024 -10.940 1.00 0.00 WT2 H ATOM 34176 H2 TIP3 7643 6.029 0.652 10.293 1.00 0.00 WT2 H ATOM 34177 OH2 TIP3 7644 2.664 -3.789 7.225 1.00 0.00 WT2 O ATOM 34178 H1 TIP3 7644 -5.340 -8.001 6.468 1.00 0.00 WT2 H ATOM 34179 H2 TIP3 7644 6.909 -16.433 -3.314 1.00 0.00 WT2 H ATOM 34180 OH2 TIP3 7645 0.018 5.174 -3.888 1.00 0.00 WT2 O ATOM 34181 H1 TIP3 7645 0.597 1.237 -3.065 1.00 0.00 WT2 H ATOM 34182 H2 TIP3 7645 -1.471 -2.789 16.266 1.00 0.00 WT2 H ATOM 34183 OH2 TIP3 7646 -2.500 -5.218 5.321 1.00 0.00 WT2 O ATOM 34184 H1 TIP3 7646 -22.425 0.882 -9.398 1.00 0.00 WT2 H ATOM 34185 H2 TIP3 7646 17.263 -10.026 17.896 1.00 0.00 WT2 H ATOM 34186 OH2 TIP3 7647 0.011 0.426 -1.561 1.00 0.00 WT2 O ATOM 34187 H1 TIP3 7647 2.040 7.377 11.026 1.00 0.00 WT2 H ATOM 34188 H2 TIP3 7647 -11.266 -13.218 -20.535 1.00 0.00 WT2 H ATOM 34189 OH2 TIP3 7648 4.235 -8.075 -1.404 1.00 0.00 WT2 O ATOM 34190 H1 TIP3 7648 11.719 24.297 3.595 1.00 0.00 WT2 H ATOM 34191 H2 TIP3 7648 4.296 -9.499 -2.767 1.00 0.00 WT2 H ATOM 34192 OH2 TIP3 7649 -2.494 -0.176 3.504 1.00 0.00 WT2 O ATOM 34193 H1 TIP3 7649 4.128 11.058 23.887 1.00 0.00 WT2 H ATOM 34194 H2 TIP3 7649 -2.043 -2.150 4.277 1.00 0.00 WT2 H ATOM 34195 OH2 TIP3 7650 -1.139 -0.320 2.573 1.00 0.00 WT2 O ATOM 34196 H1 TIP3 7650 -3.403 12.163 -2.320 1.00 0.00 WT2 H ATOM 34197 H2 TIP3 7650 4.725 -27.404 -4.919 1.00 0.00 WT2 H ATOM 34198 OH2 TIP3 7652 4.435 1.532 -2.659 1.00 0.00 WT2 O ATOM 34199 H1 TIP3 7652 15.852 9.149 10.395 1.00 0.00 WT2 H ATOM 34200 H2 TIP3 7652 2.026 11.829 -16.920 1.00 0.00 WT2 H ATOM 34201 OH2 TIP3 7653 7.488 3.567 -2.390 1.00 0.00 WT2 O ATOM 34202 H1 TIP3 7653 9.740 -3.354 2.474 1.00 0.00 WT2 H ATOM 34203 H2 TIP3 7653 5.550 8.522 -3.028 1.00 0.00 WT2 H ATOM 34204 OH2 TIP3 7663 3.197 7.387 -7.124 1.00 0.00 WT2 O ATOM 34205 H1 TIP3 7663 -12.686 13.528 -16.596 1.00 0.00 WT2 H ATOM 34206 H2 TIP3 7663 2.812 7.120 -6.261 1.00 0.00 WT2 H ATOM 34207 OH2 TIP3 7668 -0.482 -10.042 2.627 1.00 0.00 WT2 O ATOM 34208 H1 TIP3 7668 1.668 -11.852 2.745 1.00 0.00 WT2 H ATOM 34209 H2 TIP3 7668 4.019 -20.599 2.668 1.00 0.00 WT2 H ATOM 34210 OH2 TIP3 7669 0.101 -2.770 -2.850 1.00 0.00 WT2 O ATOM 34211 H1 TIP3 7669 10.677 -12.950 -14.311 1.00 0.00 WT2 H ATOM 34212 H2 TIP3 7669 -10.621 -10.189 -4.148 1.00 0.00 WT2 H ATOM 34213 OH2 TIP3 7670 -3.238 0.455 5.208 1.00 0.00 WT2 O ATOM 34214 H1 TIP3 7670 -6.470 -1.272 4.107 1.00 0.00 WT2 H ATOM 34215 H2 TIP3 7670 -2.508 -9.902 3.266 1.00 0.00 WT2 H ATOM 34216 OH2 TIP3 7673 0.071 -0.434 -1.597 1.00 0.00 WT2 O ATOM 34217 H1 TIP3 7673 1.828 -1.993 -4.586 1.00 0.00 WT2 H ATOM 34218 H2 TIP3 7673 -0.742 -6.045 -0.084 1.00 0.00 WT2 H ATOM 34219 OH2 TIP3 7686 -1.747 2.135 0.240 1.00 0.00 WT2 O ATOM 34220 H1 TIP3 7686 -0.270 8.991 -5.031 1.00 0.00 WT2 H ATOM 34221 H2 TIP3 7686 1.551 1.093 2.620 1.00 0.00 WT2 H ATOM 34222 OH2 TIP3 7688 -0.364 -1.787 2.383 1.00 0.00 WT2 O ATOM 34223 H1 TIP3 7688 2.229 -4.744 -1.324 1.00 0.00 WT2 H ATOM 34224 H2 TIP3 7688 -5.234 3.910 10.933 1.00 0.00 WT2 H ATOM 34225 OH2 TIP3 7689 0.540 4.698 2.382 1.00 0.00 WT2 O ATOM 34226 H1 TIP3 7689 -2.416 -1.796 5.908 1.00 0.00 WT2 H ATOM 34227 H2 TIP3 7689 3.957 9.004 7.725 1.00 0.00 WT2 H ATOM 34228 OH2 TIP3 7690 0.679 0.882 3.506 1.00 0.00 WT2 O ATOM 34229 H1 TIP3 7690 3.904 5.039 0.878 1.00 0.00 WT2 H ATOM 34230 H2 TIP3 7690 -13.325 -4.477 -7.052 1.00 0.00 WT2 H ATOM 34231 OH2 TIP3 7691 3.149 -4.828 5.875 1.00 0.00 WT2 O ATOM 34232 H1 TIP3 7691 14.823 6.347 7.714 1.00 0.00 WT2 H ATOM 34233 H2 TIP3 7691 -13.615 5.758 -12.868 1.00 0.00 WT2 H ATOM 34234 OH2 TIP3 7692 -6.071 -0.030 6.162 1.00 0.00 WT2 O ATOM 34235 H1 TIP3 7692 1.712 -15.752 10.522 1.00 0.00 WT2 H ATOM 34236 H2 TIP3 7692 -1.964 -3.298 20.513 1.00 0.00 WT2 H ATOM 34237 OH2 TIP3 7694 1.885 -1.526 -3.124 1.00 0.00 WT2 O ATOM 34238 H1 TIP3 7694 3.642 -6.751 -16.212 1.00 0.00 WT2 H ATOM 34239 H2 TIP3 7694 14.188 5.390 -0.912 1.00 0.00 WT2 H ATOM 34240 OH2 TIP3 7695 -0.939 -0.326 4.636 1.00 0.00 WT2 O ATOM 34241 H1 TIP3 7695 -26.973 -10.306 18.264 1.00 0.00 WT2 H ATOM 34242 H2 TIP3 7695 -1.404 24.340 15.922 1.00 0.00 WT2 H ATOM 34243 OH2 TIP3 7696 1.670 3.640 -4.567 1.00 0.00 WT2 O ATOM 34244 H1 TIP3 7696 2.312 6.039 -6.787 1.00 0.00 WT2 H ATOM 34245 H2 TIP3 7696 2.993 1.579 -4.731 1.00 0.00 WT2 H ATOM 34246 OH2 TIP3 7698 9.484 -0.682 -3.269 1.00 0.00 WT2 O ATOM 34247 H1 TIP3 7698 -22.117 17.124 0.419 1.00 0.00 WT2 H ATOM 34248 H2 TIP3 7698 32.967 24.850 -13.546 1.00 0.00 WT2 H ATOM 34249 OH2 TIP3 7705 3.978 -4.485 1.109 1.00 0.00 WT2 O ATOM 34250 H1 TIP3 7705 1.726 -1.329 1.662 1.00 0.00 WT2 H ATOM 34251 H2 TIP3 7705 2.492 42.147 -4.180 1.00 0.00 WT2 H ATOM 34252 OH2 TIP3 7707 3.639 -0.236 -0.346 1.00 0.00 WT2 O ATOM 34253 H1 TIP3 7707 -0.205 0.873 -20.245 1.00 0.00 WT2 H ATOM 34254 H2 TIP3 7707 4.871 -1.763 15.057 1.00 0.00 WT2 H ATOM 34255 OH2 TIP3 7708 -5.282 5.455 -2.694 1.00 0.00 WT2 O ATOM 34256 H1 TIP3 7708 1.376 2.598 4.017 1.00 0.00 WT2 H ATOM 34257 H2 TIP3 7708 -9.937 0.597 -0.436 1.00 0.00 WT2 H ATOM 34258 OH2 TIP3 7710 -2.585 3.197 -3.677 1.00 0.00 WT2 O ATOM 34259 H1 TIP3 7710 9.724 14.826 5.573 1.00 0.00 WT2 H ATOM 34260 H2 TIP3 7710 4.592 -16.909 1.333 1.00 0.00 WT2 H ATOM 34261 OH2 TIP3 7711 -1.152 -1.231 6.685 1.00 0.00 WT2 O ATOM 34262 H1 TIP3 7711 2.151 -2.483 12.358 1.00 0.00 WT2 H ATOM 34263 H2 TIP3 7711 4.332 7.018 2.317 1.00 0.00 WT2 H ATOM 34264 OH2 TIP3 7712 -0.353 -5.917 -1.554 1.00 0.00 WT2 O ATOM 34265 H1 TIP3 7712 6.912 -6.671 14.115 1.00 0.00 WT2 H ATOM 34266 H2 TIP3 7712 13.699 -15.273 5.699 1.00 0.00 WT2 H ATOM 34267 OH2 TIP3 7713 -4.464 3.910 -2.372 1.00 0.00 WT2 O ATOM 34268 H1 TIP3 7713 -4.950 -4.865 -6.929 1.00 0.00 WT2 H ATOM 34269 H2 TIP3 7713 -0.556 14.066 6.998 1.00 0.00 WT2 H ATOM 34270 OH2 TIP3 7716 1.525 -0.742 -10.557 1.00 0.00 WT2 O ATOM 34271 H1 TIP3 7716 -2.814 4.374 4.054 1.00 0.00 WT2 H ATOM 34272 H2 TIP3 7716 6.878 -18.194 -9.809 1.00 0.00 WT2 H ATOM 34273 OH2 TIP3 7718 1.816 3.972 -2.040 1.00 0.00 WT2 O ATOM 34274 H1 TIP3 7718 -11.658 -9.645 -4.649 1.00 0.00 WT2 H ATOM 34275 H2 TIP3 7718 11.020 -6.753 -8.134 1.00 0.00 WT2 H ATOM 34276 OH2 TIP3 7730 -2.375 2.182 -5.622 1.00 0.00 WT2 O ATOM 34277 H1 TIP3 7730 -11.020 7.449 -18.288 1.00 0.00 WT2 H ATOM 34278 H2 TIP3 7730 -16.948 7.560 -16.452 1.00 0.00 WT2 H ATOM 34279 OH2 TIP3 7731 -2.020 0.705 2.880 1.00 0.00 WT2 O ATOM 34280 H1 TIP3 7731 9.841 -10.722 22.092 1.00 0.00 WT2 H ATOM 34281 H2 TIP3 7731 21.349 16.820 12.949 1.00 0.00 WT2 H ATOM 34282 OH2 TIP3 7734 2.466 0.922 -1.762 1.00 0.00 WT2 O ATOM 34283 H1 TIP3 7734 -10.115 4.688 11.358 1.00 0.00 WT2 H ATOM 34284 H2 TIP3 7734 -13.804 6.620 12.894 1.00 0.00 WT2 H ATOM 34285 OH2 TIP3 7735 -2.929 1.416 7.230 1.00 0.00 WT2 O ATOM 34286 H1 TIP3 7735 18.918 -7.182 -4.184 1.00 0.00 WT2 H ATOM 34287 H2 TIP3 7735 3.382 -28.821 -12.036 1.00 0.00 WT2 H ATOM 34288 OH2 TIP3 7736 -0.542 -4.076 1.992 1.00 0.00 WT2 O ATOM 34289 H1 TIP3 7736 0.887 -8.610 -0.293 1.00 0.00 WT2 H ATOM 34290 H2 TIP3 7736 -1.023 -1.406 -3.819 1.00 0.00 WT2 H ATOM 34291 OH2 TIP3 7737 -3.596 -6.274 1.712 1.00 0.00 WT2 O ATOM 34292 H1 TIP3 7737 0.398 -14.280 -1.063 1.00 0.00 WT2 H ATOM 34293 H2 TIP3 7737 2.715 -0.970 0.013 1.00 0.00 WT2 H ATOM 34294 OH2 TIP3 7748 -4.686 -7.408 -1.029 1.00 0.00 WT2 O ATOM 34295 H1 TIP3 7748 10.408 16.905 -0.700 1.00 0.00 WT2 H ATOM 34296 H2 TIP3 7748 4.483 24.385 32.544 1.00 0.00 WT2 H ATOM 34297 OH2 TIP3 7750 -3.822 11.358 -0.890 1.00 0.00 WT2 O ATOM 34298 H1 TIP3 7750 6.712 12.966 25.108 1.00 0.00 WT2 H ATOM 34299 H2 TIP3 7750 -26.284 27.483 -0.712 1.00 0.00 WT2 H ATOM 34300 OH2 TIP3 7751 1.871 -1.784 -5.596 1.00 0.00 WT2 O ATOM 34301 H1 TIP3 7751 9.552 49.736 -8.650 1.00 0.00 WT2 H ATOM 34302 H2 TIP3 7751 -12.702 -10.809 19.830 1.00 0.00 WT2 H ATOM 34303 OH2 TIP3 7752 0.236 1.089 -0.473 1.00 0.00 WT2 O ATOM 34304 H1 TIP3 7752 -7.959 -1.549 -8.653 1.00 0.00 WT2 H ATOM 34305 H2 TIP3 7752 9.480 12.353 3.826 1.00 0.00 WT2 H ATOM 34306 OH2 TIP3 7753 -3.691 -3.776 2.685 1.00 0.00 WT2 O ATOM 34307 H1 TIP3 7753 22.642 0.369 -16.410 1.00 0.00 WT2 H ATOM 34308 H2 TIP3 7753 -6.443 -8.621 -2.872 1.00 0.00 WT2 H ATOM 34309 OH2 TIP3 7754 1.551 -1.693 0.191 1.00 0.00 WT2 O ATOM 34310 H1 TIP3 7754 10.189 -5.162 -9.263 1.00 0.00 WT2 H ATOM 34311 H2 TIP3 7754 -8.365 -0.956 22.846 1.00 0.00 WT2 H ATOM 34312 OH2 TIP3 7755 -3.079 4.927 -3.376 1.00 0.00 WT2 O ATOM 34313 H1 TIP3 7755 17.064 16.645 -5.204 1.00 0.00 WT2 H ATOM 34314 H2 TIP3 7755 -6.625 3.842 3.674 1.00 0.00 WT2 H ATOM 34315 OH2 TIP3 7757 1.255 2.042 7.655 1.00 0.00 WT2 O ATOM 34316 H1 TIP3 7757 -0.020 3.714 0.956 1.00 0.00 WT2 H ATOM 34317 H2 TIP3 7757 0.615 4.758 -7.490 1.00 0.00 WT2 H ATOM 34318 OH2 TIP3 7772 5.766 -2.102 -3.871 1.00 0.00 WT2 O ATOM 34319 H1 TIP3 7772 11.037 -3.684 11.056 1.00 0.00 WT2 H ATOM 34320 H2 TIP3 7772 15.920 -8.313 -12.049 1.00 0.00 WT2 H ATOM 34321 OH2 TIP3 7773 3.763 -0.813 1.706 1.00 0.00 WT2 O ATOM 34322 H1 TIP3 7773 -8.489 -0.749 -0.270 1.00 0.00 WT2 H ATOM 34323 H2 TIP3 7773 6.726 8.959 10.757 1.00 0.00 WT2 H ATOM 34324 OH2 TIP3 7774 1.368 0.082 -0.383 1.00 0.00 WT2 O ATOM 34325 H1 TIP3 7774 -4.879 -30.776 -0.052 1.00 0.00 WT2 H ATOM 34326 H2 TIP3 7774 -2.178 -22.770 1.923 1.00 0.00 WT2 H ATOM 34327 OH2 TIP3 7776 -1.035 -1.180 -3.921 1.00 0.00 WT2 O ATOM 34328 H1 TIP3 7776 7.039 4.136 -10.136 1.00 0.00 WT2 H ATOM 34329 H2 TIP3 7776 8.508 0.894 -10.355 1.00 0.00 WT2 H ATOM 34330 OH2 TIP3 7780 -5.113 1.411 0.541 1.00 0.00 WT2 O ATOM 34331 H1 TIP3 7780 -0.154 10.818 -23.488 1.00 0.00 WT2 H ATOM 34332 H2 TIP3 7780 -3.959 -20.032 -0.591 1.00 0.00 WT2 H ATOM 34333 OH2 TIP3 7791 -6.806 -1.369 0.954 1.00 0.00 WT2 O ATOM 34334 H1 TIP3 7791 1.570 2.443 4.385 1.00 0.00 WT2 H ATOM 34335 H2 TIP3 7791 -18.323 2.202 12.960 1.00 0.00 WT2 H ATOM 34336 OH2 TIP3 7793 4.536 -2.465 0.629 1.00 0.00 WT2 O ATOM 34337 H1 TIP3 7793 -10.015 -2.706 14.213 1.00 0.00 WT2 H ATOM 34338 H2 TIP3 7793 16.496 4.445 -27.258 1.00 0.00 WT2 H ATOM 34339 OH2 TIP3 7795 2.597 4.820 3.829 1.00 0.00 WT2 O ATOM 34340 H1 TIP3 7795 -10.377 -10.151 -13.050 1.00 0.00 WT2 H ATOM 34341 H2 TIP3 7795 2.559 25.112 -12.639 1.00 0.00 WT2 H ATOM 34342 OH2 TIP3 7796 -3.143 -3.132 -1.794 1.00 0.00 WT2 O ATOM 34343 H1 TIP3 7796 -18.833 33.276 9.163 1.00 0.00 WT2 H ATOM 34344 H2 TIP3 7796 0.071 29.069 11.672 1.00 0.00 WT2 H ATOM 34345 OH2 TIP3 7797 -0.659 -1.140 4.812 1.00 0.00 WT2 O ATOM 34346 H1 TIP3 7797 -8.981 -23.629 -16.716 1.00 0.00 WT2 H ATOM 34347 H2 TIP3 7797 21.400 -11.545 21.598 1.00 0.00 WT2 H ATOM 34348 OH2 TIP3 7798 -2.873 1.018 2.270 1.00 0.00 WT2 O ATOM 34349 H1 TIP3 7798 5.242 6.741 -9.268 1.00 0.00 WT2 H ATOM 34350 H2 TIP3 7798 -1.282 7.649 -2.283 1.00 0.00 WT2 H ATOM 34351 OH2 TIP3 7799 1.947 5.836 -0.011 1.00 0.00 WT2 O ATOM 34352 H1 TIP3 7799 11.023 -4.900 13.550 1.00 0.00 WT2 H ATOM 34353 H2 TIP3 7799 -14.885 -3.844 5.288 1.00 0.00 WT2 H ATOM 34354 OH2 TIP3 7806 0.674 1.815 8.263 1.00 0.00 WT2 O ATOM 34355 H1 TIP3 7806 12.383 -2.392 31.806 1.00 0.00 WT2 H ATOM 34356 H2 TIP3 7806 -11.741 10.673 2.010 1.00 0.00 WT2 H ATOM 34357 OH2 TIP3 7811 9.708 -2.820 3.584 1.00 0.00 WT2 O ATOM 34358 H1 TIP3 7811 -17.367 2.374 -11.464 1.00 0.00 WT2 H ATOM 34359 H2 TIP3 7811 -3.646 16.001 -0.139 1.00 0.00 WT2 H ATOM 34360 OH2 TIP3 7813 4.687 -4.332 4.828 1.00 0.00 WT2 O ATOM 34361 H1 TIP3 7813 -5.402 8.054 -9.221 1.00 0.00 WT2 H ATOM 34362 H2 TIP3 7813 6.360 -5.367 6.469 1.00 0.00 WT2 H ATOM 34363 OH2 TIP3 7815 0.899 -2.609 -2.302 1.00 0.00 WT2 O ATOM 34364 H1 TIP3 7815 0.596 -2.752 -4.155 1.00 0.00 WT2 H ATOM 34365 H2 TIP3 7815 -14.046 -14.704 -3.849 1.00 0.00 WT2 H ATOM 34366 OH2 TIP3 7816 1.318 -2.167 3.919 1.00 0.00 WT2 O ATOM 34367 H1 TIP3 7816 -18.165 -12.561 1.521 1.00 0.00 WT2 H ATOM 34368 H2 TIP3 7816 5.773 1.672 8.746 1.00 0.00 WT2 H ATOM 34369 OH2 TIP3 7817 -4.443 -3.398 -2.745 1.00 0.00 WT2 O ATOM 34370 H1 TIP3 7817 0.546 -0.498 8.954 1.00 0.00 WT2 H ATOM 34371 H2 TIP3 7817 4.044 -16.887 6.027 1.00 0.00 WT2 H ATOM 34372 OH2 TIP3 7818 2.541 -3.642 -7.205 1.00 0.00 WT2 O ATOM 34373 H1 TIP3 7818 -6.049 -7.625 -3.997 1.00 0.00 WT2 H ATOM 34374 H2 TIP3 7818 2.813 -8.671 -17.789 1.00 0.00 WT2 H ATOM 34375 OH2 TIP3 7820 -4.640 -2.245 -0.270 1.00 0.00 WT2 O ATOM 34376 H1 TIP3 7820 33.716 22.604 -12.109 1.00 0.00 WT2 H ATOM 34377 H2 TIP3 7820 -13.600 -7.860 4.014 1.00 0.00 WT2 H ATOM 34378 OH2 TIP3 7833 1.609 -2.160 -2.757 1.00 0.00 WT2 O ATOM 34379 H1 TIP3 7833 -16.500 -18.546 2.618 1.00 0.00 WT2 H ATOM 34380 H2 TIP3 7833 -5.468 32.997 -4.981 1.00 0.00 WT2 H ATOM 34381 OH2 TIP3 7835 2.952 3.816 3.290 1.00 0.00 WT2 O ATOM 34382 H1 TIP3 7835 -19.429 15.184 -29.128 1.00 0.00 WT2 H ATOM 34383 H2 TIP3 7835 -8.648 5.343 -22.270 1.00 0.00 WT2 H ATOM 34384 OH2 TIP3 7836 5.229 4.236 -3.463 1.00 0.00 WT2 O ATOM 34385 H1 TIP3 7836 6.554 -5.385 -4.420 1.00 0.00 WT2 H ATOM 34386 H2 TIP3 7836 6.018 -5.597 -4.573 1.00 0.00 WT2 H ATOM 34387 OH2 TIP3 7837 -3.427 10.385 0.813 1.00 0.00 WT2 O ATOM 34388 H1 TIP3 7837 8.604 4.500 6.058 1.00 0.00 WT2 H ATOM 34389 H2 TIP3 7837 -5.089 2.826 -11.763 1.00 0.00 WT2 H ATOM 34390 OH2 TIP3 7838 3.027 4.435 -4.516 1.00 0.00 WT2 O ATOM 34391 H1 TIP3 7838 -15.500 -6.397 -9.083 1.00 0.00 WT2 H ATOM 34392 H2 TIP3 7838 -4.625 -10.962 -15.943 1.00 0.00 WT2 H ATOM 34393 OH2 TIP3 7839 0.109 0.386 -2.103 1.00 0.00 WT2 O ATOM 34394 H1 TIP3 7839 -3.942 9.819 -5.126 1.00 0.00 WT2 H ATOM 34395 H2 TIP3 7839 -10.682 28.468 -0.818 1.00 0.00 WT2 H ATOM 34396 OH2 TIP3 7840 -0.340 -1.128 0.063 1.00 0.00 WT2 O ATOM 34397 H1 TIP3 7840 -0.523 -11.749 19.116 1.00 0.00 WT2 H ATOM 34398 H2 TIP3 7840 4.685 -3.039 20.233 1.00 0.00 WT2 H ATOM 34399 OH2 TIP3 7842 1.818 -2.453 -0.232 1.00 0.00 WT2 O ATOM 34400 H1 TIP3 7842 6.174 5.217 -4.939 1.00 0.00 WT2 H ATOM 34401 H2 TIP3 7842 8.786 -8.309 3.924 1.00 0.00 WT2 H ATOM 34402 OH2 TIP3 7853 0.328 2.995 3.352 1.00 0.00 WT2 O ATOM 34403 H1 TIP3 7853 14.199 22.202 -5.393 1.00 0.00 WT2 H ATOM 34404 H2 TIP3 7853 -12.008 1.131 -8.194 1.00 0.00 WT2 H ATOM 34405 OH2 TIP3 7854 -2.966 -0.933 -3.278 1.00 0.00 WT2 O ATOM 34406 H1 TIP3 7854 -14.573 -21.875 -6.214 1.00 0.00 WT2 H ATOM 34407 H2 TIP3 7854 -5.267 1.346 17.609 1.00 0.00 WT2 H ATOM 34408 OH2 TIP3 7856 1.722 -0.366 -1.668 1.00 0.00 WT2 O ATOM 34409 H1 TIP3 7856 -12.994 3.999 -9.192 1.00 0.00 WT2 H ATOM 34410 H2 TIP3 7856 11.632 12.783 -4.106 1.00 0.00 WT2 H ATOM 34411 OH2 TIP3 7858 -8.691 4.829 8.516 1.00 0.00 WT2 O ATOM 34412 H1 TIP3 7858 -33.141 4.498 -24.126 1.00 0.00 WT2 H ATOM 34413 H2 TIP3 7858 31.743 -6.032 -7.256 1.00 0.00 WT2 H ATOM 34414 OH2 TIP3 7859 2.496 -0.225 3.441 1.00 0.00 WT2 O ATOM 34415 H1 TIP3 7859 -1.485 -4.462 8.487 1.00 0.00 WT2 H ATOM 34416 H2 TIP3 7859 -13.685 -12.685 18.633 1.00 0.00 WT2 H ATOM 34417 OH2 TIP3 7861 3.643 -1.516 4.884 1.00 0.00 WT2 O ATOM 34418 H1 TIP3 7861 5.344 -12.276 16.155 1.00 0.00 WT2 H ATOM 34419 H2 TIP3 7861 -9.727 -1.553 -6.611 1.00 0.00 WT2 H ATOM 34420 OH2 TIP3 7864 0.788 -1.175 6.369 1.00 0.00 WT2 O ATOM 34421 H1 TIP3 7864 -14.316 15.653 26.188 1.00 0.00 WT2 H ATOM 34422 H2 TIP3 7864 17.080 10.773 11.811 1.00 0.00 WT2 H ATOM 34423 OH2 TIP3 7865 -3.672 5.519 2.074 1.00 0.00 WT2 O ATOM 34424 H1 TIP3 7865 2.112 -35.720 11.664 1.00 0.00 WT2 H ATOM 34425 H2 TIP3 7865 21.919 -10.554 5.842 1.00 0.00 WT2 H ATOM 34426 OH2 TIP3 7872 -3.858 0.662 0.159 1.00 0.00 WT2 O ATOM 34427 H1 TIP3 7872 11.504 6.688 5.671 1.00 0.00 WT2 H ATOM 34428 H2 TIP3 7872 -7.339 11.839 -16.009 1.00 0.00 WT2 H ATOM 34429 OH2 TIP3 7875 6.988 1.815 -5.132 1.00 0.00 WT2 O ATOM 34430 H1 TIP3 7875 -19.722 -4.766 -19.090 1.00 0.00 WT2 H ATOM 34431 H2 TIP3 7875 14.161 -0.944 -14.150 1.00 0.00 WT2 H ATOM 34432 OH2 TIP3 7878 -2.193 -1.818 9.963 1.00 0.00 WT2 O ATOM 34433 H1 TIP3 7878 5.202 -4.367 -4.678 1.00 0.00 WT2 H ATOM 34434 H2 TIP3 7878 -14.097 14.157 7.462 1.00 0.00 WT2 H ATOM 34435 OH2 TIP3 7880 2.354 -3.464 -3.158 1.00 0.00 WT2 O ATOM 34436 H1 TIP3 7880 3.405 -2.279 -3.269 1.00 0.00 WT2 H ATOM 34437 H2 TIP3 7880 -5.093 -22.621 4.483 1.00 0.00 WT2 H ATOM 34438 OH2 TIP3 7882 -3.082 11.319 -0.970 1.00 0.00 WT2 O ATOM 34439 H1 TIP3 7882 -11.427 8.365 6.256 1.00 0.00 WT2 H ATOM 34440 H2 TIP3 7882 2.732 8.671 -2.492 1.00 0.00 WT2 H ATOM 34441 OH2 TIP3 7884 -11.047 -2.727 3.096 1.00 0.00 WT2 O ATOM 34442 H1 TIP3 7884 -7.006 24.060 10.388 1.00 0.00 WT2 H ATOM 34443 H2 TIP3 7884 15.816 -14.623 -14.583 1.00 0.00 WT2 H ATOM 34444 OH2 TIP3 7895 3.721 1.254 0.527 1.00 0.00 WT2 O ATOM 34445 H1 TIP3 7895 -1.437 0.148 12.937 1.00 0.00 WT2 H ATOM 34446 H2 TIP3 7895 -1.301 -2.432 10.342 1.00 0.00 WT2 H ATOM 34447 OH2 TIP3 7899 -0.155 -1.651 3.094 1.00 0.00 WT2 O ATOM 34448 H1 TIP3 7899 -17.080 -6.799 5.463 1.00 0.00 WT2 H ATOM 34449 H2 TIP3 7899 13.665 -8.567 5.564 1.00 0.00 WT2 H ATOM 34450 OH2 TIP3 7900 -0.526 -2.323 -5.037 1.00 0.00 WT2 O ATOM 34451 H1 TIP3 7900 -10.454 8.855 -19.092 1.00 0.00 WT2 H ATOM 34452 H2 TIP3 7900 -2.953 7.586 13.973 1.00 0.00 WT2 H ATOM 34453 OH2 TIP3 7905 -3.780 -2.512 -3.026 1.00 0.00 WT2 O ATOM 34454 H1 TIP3 7905 7.253 23.288 1.641 1.00 0.00 WT2 H ATOM 34455 H2 TIP3 7905 7.973 3.541 -5.128 1.00 0.00 WT2 H ATOM 34456 OH2 TIP3 7919 2.963 -5.482 -5.897 1.00 0.00 WT2 O ATOM 34457 H1 TIP3 7919 3.584 -26.823 -11.616 1.00 0.00 WT2 H ATOM 34458 H2 TIP3 7919 2.509 -21.666 -17.332 1.00 0.00 WT2 H ATOM 34459 OH2 TIP3 7920 7.219 -6.884 -4.473 1.00 0.00 WT2 O ATOM 34460 H1 TIP3 7920 -0.547 -6.447 1.907 1.00 0.00 WT2 H ATOM 34461 H2 TIP3 7920 10.535 12.919 10.434 1.00 0.00 WT2 H ATOM 34462 OH2 TIP3 7921 3.718 -0.861 0.472 1.00 0.00 WT2 O ATOM 34463 H1 TIP3 7921 7.317 -8.606 27.429 1.00 0.00 WT2 H ATOM 34464 H2 TIP3 7921 -21.468 5.685 -15.140 1.00 0.00 WT2 H ATOM 34465 OH2 TIP3 7922 4.071 -1.492 -4.267 1.00 0.00 WT2 O ATOM 34466 H1 TIP3 7922 -2.099 -10.413 -23.607 1.00 0.00 WT2 H ATOM 34467 H2 TIP3 7922 10.052 10.590 25.555 1.00 0.00 WT2 H ATOM 34468 OH2 TIP3 7933 -0.986 5.583 -8.213 1.00 0.00 WT2 O ATOM 34469 H1 TIP3 7933 11.185 -13.860 -4.393 1.00 0.00 WT2 H ATOM 34470 H2 TIP3 7933 5.877 -4.117 -2.872 1.00 0.00 WT2 H ATOM 34471 OH2 TIP3 7938 4.418 0.152 4.250 1.00 0.00 WT2 O ATOM 34472 H1 TIP3 7938 -7.137 -22.329 9.377 1.00 0.00 WT2 H ATOM 34473 H2 TIP3 7938 -3.750 17.954 -8.840 1.00 0.00 WT2 H ATOM 34474 OH2 TIP3 7939 3.742 4.364 8.450 1.00 0.00 WT2 O ATOM 34475 H1 TIP3 7939 -8.343 -1.408 30.348 1.00 0.00 WT2 H ATOM 34476 H2 TIP3 7939 14.274 -1.187 -7.320 1.00 0.00 WT2 H ATOM 34477 OH2 TIP3 7940 2.839 1.844 -1.720 1.00 0.00 WT2 O ATOM 34478 H1 TIP3 7940 15.040 42.719 -2.229 1.00 0.00 WT2 H ATOM 34479 H2 TIP3 7940 3.176 11.319 -10.008 1.00 0.00 WT2 H ATOM 34480 OH2 TIP3 7941 -1.377 -2.795 -6.442 1.00 0.00 WT2 O ATOM 34481 H1 TIP3 7941 -8.745 -5.928 2.233 1.00 0.00 WT2 H ATOM 34482 H2 TIP3 7941 38.466 13.395 -12.415 1.00 0.00 WT2 H ATOM 34483 OH2 TIP3 7942 2.827 10.854 -6.339 1.00 0.00 WT2 O ATOM 34484 H1 TIP3 7942 2.994 7.497 -1.772 1.00 0.00 WT2 H ATOM 34485 H2 TIP3 7942 -10.709 15.213 -3.137 1.00 0.00 WT2 H ATOM 34486 OH2 TIP3 7944 -1.057 -2.313 -0.625 1.00 0.00 WT2 O ATOM 34487 H1 TIP3 7944 13.587 -10.029 1.845 1.00 0.00 WT2 H ATOM 34488 H2 TIP3 7944 -7.687 1.322 -1.730 1.00 0.00 WT2 H ATOM 34489 OH2 TIP3 7946 -0.034 5.269 0.627 1.00 0.00 WT2 O ATOM 34490 H1 TIP3 7946 14.939 -19.595 -13.606 1.00 0.00 WT2 H ATOM 34491 H2 TIP3 7946 -4.873 0.662 -5.741 1.00 0.00 WT2 H ATOM 34492 OH2 TIP3 7947 4.330 -4.600 -0.614 1.00 0.00 WT2 O ATOM 34493 H1 TIP3 7947 -18.222 -11.695 4.606 1.00 0.00 WT2 H ATOM 34494 H2 TIP3 7947 24.317 -7.306 19.755 1.00 0.00 WT2 H ATOM 34495 OH2 TIP3 7949 4.662 2.593 2.975 1.00 0.00 WT2 O ATOM 34496 H1 TIP3 7949 12.356 -12.749 -13.120 1.00 0.00 WT2 H ATOM 34497 H2 TIP3 7949 -15.447 3.998 -6.309 1.00 0.00 WT2 H ATOM 34498 OH2 TIP3 7959 5.727 -2.448 -3.033 1.00 0.00 WT2 O ATOM 34499 H1 TIP3 7959 -8.576 6.943 -4.659 1.00 0.00 WT2 H ATOM 34500 H2 TIP3 7959 14.908 -7.287 7.797 1.00 0.00 WT2 H ATOM 34501 OH2 TIP3 7962 2.738 0.132 -9.859 1.00 0.00 WT2 O ATOM 34502 H1 TIP3 7962 0.676 3.045 -20.135 1.00 0.00 WT2 H ATOM 34503 H2 TIP3 7962 0.311 -28.303 -1.386 1.00 0.00 WT2 H ATOM 34504 OH2 TIP3 7963 -3.430 5.842 0.339 1.00 0.00 WT2 O ATOM 34505 H1 TIP3 7963 2.584 -9.180 10.546 1.00 0.00 WT2 H ATOM 34506 H2 TIP3 7963 -10.272 2.795 -5.725 1.00 0.00 WT2 H ATOM 34507 OH2 TIP3 7964 -0.028 -0.418 -2.196 1.00 0.00 WT2 O ATOM 34508 H1 TIP3 7964 17.914 -0.025 -3.997 1.00 0.00 WT2 H ATOM 34509 H2 TIP3 7964 -19.286 14.729 11.421 1.00 0.00 WT2 H ATOM 34510 OH2 TIP3 7965 6.870 -0.849 2.665 1.00 0.00 WT2 O ATOM 34511 H1 TIP3 7965 0.177 3.253 -0.407 1.00 0.00 WT2 H ATOM 34512 H2 TIP3 7965 14.404 -4.841 3.234 1.00 0.00 WT2 H ATOM 34513 OH2 TIP3 7967 0.965 -1.945 3.052 1.00 0.00 WT2 O ATOM 34514 H1 TIP3 7967 -6.434 5.064 3.223 1.00 0.00 WT2 H ATOM 34515 H2 TIP3 7967 4.299 -1.054 -2.107 1.00 0.00 WT2 H ATOM 34516 OH2 TIP3 7969 1.161 -3.861 -4.711 1.00 0.00 WT2 O ATOM 34517 H1 TIP3 7969 7.178 17.409 -1.477 1.00 0.00 WT2 H ATOM 34518 H2 TIP3 7969 -16.187 -6.999 8.472 1.00 0.00 WT2 H ATOM 34519 OH2 TIP3 7972 -2.443 -0.107 -2.585 1.00 0.00 WT2 O ATOM 34520 H1 TIP3 7972 12.703 19.731 -15.079 1.00 0.00 WT2 H ATOM 34521 H2 TIP3 7972 -7.993 -9.091 3.392 1.00 0.00 WT2 H ATOM 34522 OH2 TIP3 7979 1.330 0.103 -2.526 1.00 0.00 WT2 O ATOM 34523 H1 TIP3 7979 0.905 2.844 10.434 1.00 0.00 WT2 H ATOM 34524 H2 TIP3 7979 -0.976 -12.657 -4.361 1.00 0.00 WT2 H ATOM 34525 OH2 TIP3 7981 0.926 -7.182 -7.688 1.00 0.00 WT2 O ATOM 34526 H1 TIP3 7981 -1.424 -2.637 15.065 1.00 0.00 WT2 H ATOM 34527 H2 TIP3 7981 19.068 -0.362 -19.644 1.00 0.00 WT2 H ATOM 34528 OH2 TIP3 7983 -2.859 0.394 -3.419 1.00 0.00 WT2 O ATOM 34529 H1 TIP3 7983 -10.165 4.786 -6.508 1.00 0.00 WT2 H ATOM 34530 H2 TIP3 7983 -10.489 -0.801 -26.436 1.00 0.00 WT2 H ATOM 34531 OH2 TIP3 7984 -1.179 -2.144 -0.690 1.00 0.00 WT2 O ATOM 34532 H1 TIP3 7984 -2.705 -5.663 -8.384 1.00 0.00 WT2 H ATOM 34533 H2 TIP3 7984 3.626 -0.430 -1.271 1.00 0.00 WT2 H ATOM 34534 OH2 TIP3 7985 -1.594 1.172 0.130 1.00 0.00 WT2 O ATOM 34535 H1 TIP3 7985 8.249 -24.169 -4.447 1.00 0.00 WT2 H ATOM 34536 H2 TIP3 7985 -4.867 10.150 2.579 1.00 0.00 WT2 H ATOM 34537 OH2 TIP3 7986 1.472 -5.150 -1.403 1.00 0.00 WT2 O ATOM 34538 H1 TIP3 7986 -9.678 -13.328 -2.375 1.00 0.00 WT2 H ATOM 34539 H2 TIP3 7986 4.635 -8.276 -2.524 1.00 0.00 WT2 H ATOM 34540 OH2 TIP3 7987 4.381 -10.537 -1.363 1.00 0.00 WT2 O ATOM 34541 H1 TIP3 7987 -5.185 5.220 19.233 1.00 0.00 WT2 H ATOM 34542 H2 TIP3 7987 7.438 -17.766 -9.329 1.00 0.00 WT2 H ATOM 34543 OH2 TIP3 8003 0.326 -4.300 -1.963 1.00 0.00 WT2 O ATOM 34544 H1 TIP3 8003 0.800 0.372 9.319 1.00 0.00 WT2 H ATOM 34545 H2 TIP3 8003 -9.655 -11.200 -3.451 1.00 0.00 WT2 H ATOM 34546 OH2 TIP3 8004 -3.127 -4.054 0.030 1.00 0.00 WT2 O ATOM 34547 H1 TIP3 8004 -3.888 11.722 8.900 1.00 0.00 WT2 H ATOM 34548 H2 TIP3 8004 3.918 -3.449 -6.770 1.00 0.00 WT2 H ATOM 34549 OH2 TIP3 8005 7.176 2.527 3.444 1.00 0.00 WT2 O ATOM 34550 H1 TIP3 8005 13.423 -6.120 3.847 1.00 0.00 WT2 H ATOM 34551 H2 TIP3 8005 6.505 4.345 3.633 1.00 0.00 WT2 H ATOM 34552 OH2 TIP3 8007 6.505 0.637 -2.030 1.00 0.00 WT2 O ATOM 34553 H1 TIP3 8007 5.673 25.738 8.086 1.00 0.00 WT2 H ATOM 34554 H2 TIP3 8007 31.636 1.686 3.401 1.00 0.00 WT2 H ATOM 34555 OH2 TIP3 8012 -5.912 0.630 -0.177 1.00 0.00 WT2 O ATOM 34556 H1 TIP3 8012 35.307 -6.928 5.372 1.00 0.00 WT2 H ATOM 34557 H2 TIP3 8012 -2.242 -12.492 -17.810 1.00 0.00 WT2 H ATOM 34558 OH2 TIP3 8020 2.879 -5.485 1.917 1.00 0.00 WT2 O ATOM 34559 H1 TIP3 8020 -5.006 14.671 -8.534 1.00 0.00 WT2 H ATOM 34560 H2 TIP3 8020 10.828 10.632 23.607 1.00 0.00 WT2 H ATOM 34561 OH2 TIP3 8022 -2.615 4.036 -6.300 1.00 0.00 WT2 O ATOM 34562 H1 TIP3 8022 -0.285 4.020 -6.809 1.00 0.00 WT2 H ATOM 34563 H2 TIP3 8022 1.262 3.320 -10.848 1.00 0.00 WT2 H ATOM 34564 OH2 TIP3 8023 3.863 3.498 1.114 1.00 0.00 WT2 O ATOM 34565 H1 TIP3 8023 -2.893 4.636 -6.770 1.00 0.00 WT2 H ATOM 34566 H2 TIP3 8023 0.408 -0.256 -1.695 1.00 0.00 WT2 H ATOM 34567 OH2 TIP3 8024 6.121 -2.045 -1.606 1.00 0.00 WT2 O ATOM 34568 H1 TIP3 8024 -8.700 5.309 -0.191 1.00 0.00 WT2 H ATOM 34569 H2 TIP3 8024 32.817 -3.949 -22.908 1.00 0.00 WT2 H ATOM 34570 OH2 TIP3 8027 2.525 4.436 2.638 1.00 0.00 WT2 O ATOM 34571 H1 TIP3 8027 0.928 6.089 -4.121 1.00 0.00 WT2 H ATOM 34572 H2 TIP3 8027 -7.840 7.997 -15.043 1.00 0.00 WT2 H ATOM 34573 OH2 TIP3 8029 -0.165 -2.161 -0.320 1.00 0.00 WT2 O ATOM 34574 H1 TIP3 8029 2.525 -7.754 -8.843 1.00 0.00 WT2 H ATOM 34575 H2 TIP3 8029 -3.832 -16.232 -0.733 1.00 0.00 WT2 H ATOM 34576 OH2 TIP3 8030 -5.991 5.130 -2.709 1.00 0.00 WT2 O ATOM 34577 H1 TIP3 8030 -14.998 -16.437 15.235 1.00 0.00 WT2 H ATOM 34578 H2 TIP3 8030 -5.721 5.035 -2.473 1.00 0.00 WT2 H ATOM 34579 OH2 TIP3 8040 -1.615 -3.056 3.021 1.00 0.00 WT2 O ATOM 34580 H1 TIP3 8040 -15.254 7.308 1.643 1.00 0.00 WT2 H ATOM 34581 H2 TIP3 8040 3.418 -3.948 3.319 1.00 0.00 WT2 H ATOM 34582 OH2 TIP3 8041 3.339 7.702 -0.065 1.00 0.00 WT2 O ATOM 34583 H1 TIP3 8041 -19.004 -5.584 -22.378 1.00 0.00 WT2 H ATOM 34584 H2 TIP3 8041 7.105 12.805 14.400 1.00 0.00 WT2 H ATOM 34585 OH2 TIP3 8045 4.536 2.334 -0.145 1.00 0.00 WT2 O ATOM 34586 H1 TIP3 8045 -0.232 -1.349 -11.233 1.00 0.00 WT2 H ATOM 34587 H2 TIP3 8045 10.906 4.574 13.767 1.00 0.00 WT2 H ATOM 34588 OH2 TIP3 8046 -1.839 -5.718 -0.860 1.00 0.00 WT2 O ATOM 34589 H1 TIP3 8046 6.493 -7.499 -3.834 1.00 0.00 WT2 H ATOM 34590 H2 TIP3 8046 -9.355 -9.362 2.751 1.00 0.00 WT2 H ATOM 34591 OH2 TIP3 8047 -1.065 10.299 -4.032 1.00 0.00 WT2 O ATOM 34592 H1 TIP3 8047 24.738 7.661 -0.373 1.00 0.00 WT2 H ATOM 34593 H2 TIP3 8047 -5.251 9.835 -3.900 1.00 0.00 WT2 H ATOM 34594 OH2 TIP3 8050 0.232 7.408 5.967 1.00 0.00 WT2 O ATOM 34595 H1 TIP3 8050 3.031 13.350 2.082 1.00 0.00 WT2 H ATOM 34596 H2 TIP3 8050 14.759 17.185 17.473 1.00 0.00 WT2 H ATOM 34597 OH2 TIP3 8052 2.003 0.543 -2.689 1.00 0.00 WT2 O ATOM 34598 H1 TIP3 8052 -2.095 7.812 -29.495 1.00 0.00 WT2 H ATOM 34599 H2 TIP3 8052 7.383 13.649 -4.747 1.00 0.00 WT2 H ATOM 34600 OH2 TIP3 8063 3.745 -2.920 2.654 1.00 0.00 WT2 O ATOM 34601 H1 TIP3 8063 3.929 -5.595 0.810 1.00 0.00 WT2 H ATOM 34602 H2 TIP3 8063 -0.306 -10.318 -3.956 1.00 0.00 WT2 H ATOM 34603 OH2 TIP3 8064 -2.761 -0.997 -4.178 1.00 0.00 WT2 O ATOM 34604 H1 TIP3 8064 -3.055 14.435 -1.689 1.00 0.00 WT2 H ATOM 34605 H2 TIP3 8064 -3.238 36.576 16.464 1.00 0.00 WT2 H ATOM 34606 OH2 TIP3 8067 -4.457 5.878 7.220 1.00 0.00 WT2 O ATOM 34607 H1 TIP3 8067 23.243 1.991 5.045 1.00 0.00 WT2 H ATOM 34608 H2 TIP3 8067 -16.883 2.670 -13.825 1.00 0.00 WT2 H ATOM 34609 OH2 TIP3 8068 -1.000 -2.895 -6.476 1.00 0.00 WT2 O ATOM 34610 H1 TIP3 8068 -3.639 -2.929 -7.539 1.00 0.00 WT2 H ATOM 34611 H2 TIP3 8068 5.996 -8.169 -31.082 1.00 0.00 WT2 H ATOM 34612 OH2 TIP3 8069 -4.290 -4.820 4.901 1.00 0.00 WT2 O ATOM 34613 H1 TIP3 8069 -11.850 2.219 24.855 1.00 0.00 WT2 H ATOM 34614 H2 TIP3 8069 -21.380 -3.699 8.882 1.00 0.00 WT2 H ATOM 34615 OH2 TIP3 8070 1.101 -0.438 1.021 1.00 0.00 WT2 O ATOM 34616 H1 TIP3 8070 -15.984 -7.468 2.812 1.00 0.00 WT2 H ATOM 34617 H2 TIP3 8070 -6.626 -2.559 -2.074 1.00 0.00 WT2 H ATOM 34618 OH2 TIP3 8071 3.828 2.975 2.571 1.00 0.00 WT2 O ATOM 34619 H1 TIP3 8071 5.605 -0.509 1.086 1.00 0.00 WT2 H ATOM 34620 H2 TIP3 8071 7.727 0.818 2.198 1.00 0.00 WT2 H ATOM 34621 OH2 TIP3 8075 0.113 -3.506 -0.547 1.00 0.00 WT2 O ATOM 34622 H1 TIP3 8075 -0.178 3.229 -5.010 1.00 0.00 WT2 H ATOM 34623 H2 TIP3 8075 -2.350 6.991 15.731 1.00 0.00 WT2 H ATOM 34624 OH2 TIP3 8084 -0.209 0.538 6.730 1.00 0.00 WT2 O ATOM 34625 H1 TIP3 8084 7.464 3.841 4.954 1.00 0.00 WT2 H ATOM 34626 H2 TIP3 8084 -2.909 -0.448 7.035 1.00 0.00 WT2 H ATOM 34627 OH2 TIP3 8085 -2.859 1.772 -3.497 1.00 0.00 WT2 O ATOM 34628 H1 TIP3 8085 -33.191 -14.443 -2.347 1.00 0.00 WT2 H ATOM 34629 H2 TIP3 8085 21.082 14.513 -11.347 1.00 0.00 WT2 H ATOM 34630 OH2 TIP3 8087 1.135 0.912 -0.214 1.00 0.00 WT2 O ATOM 34631 H1 TIP3 8087 12.186 -0.606 -35.326 1.00 0.00 WT2 H ATOM 34632 H2 TIP3 8087 -0.140 0.860 2.729 1.00 0.00 WT2 H ATOM 34633 OH2 TIP3 8088 -7.791 4.535 0.202 1.00 0.00 WT2 O ATOM 34634 H1 TIP3 8088 12.318 14.652 4.100 1.00 0.00 WT2 H ATOM 34635 H2 TIP3 8088 0.174 -18.780 -19.055 1.00 0.00 WT2 H ATOM 34636 OH2 TIP3 8089 3.340 -2.322 0.605 1.00 0.00 WT2 O ATOM 34637 H1 TIP3 8089 -9.028 -13.383 0.625 1.00 0.00 WT2 H ATOM 34638 H2 TIP3 8089 8.882 6.968 6.512 1.00 0.00 WT2 H ATOM 34639 OH2 TIP3 8091 3.099 -2.897 -4.832 1.00 0.00 WT2 O ATOM 34640 H1 TIP3 8091 17.785 5.113 3.904 1.00 0.00 WT2 H ATOM 34641 H2 TIP3 8091 -10.783 2.050 2.134 1.00 0.00 WT2 H ATOM 34642 OH2 TIP3 8092 -2.660 -4.671 -5.248 1.00 0.00 WT2 O ATOM 34643 H1 TIP3 8092 -8.752 3.114 1.806 1.00 0.00 WT2 H ATOM 34644 H2 TIP3 8092 -3.204 -19.504 -3.847 1.00 0.00 WT2 H ATOM 34645 OH2 TIP3 8093 0.177 7.480 0.279 1.00 0.00 WT2 O ATOM 34646 H1 TIP3 8093 -29.204 1.728 -6.480 1.00 0.00 WT2 H ATOM 34647 H2 TIP3 8093 -5.125 3.631 -18.733 1.00 0.00 WT2 H ATOM 34648 OH2 TIP3 8095 4.293 0.631 -0.576 1.00 0.00 WT2 O ATOM 34649 H1 TIP3 8095 5.650 -1.081 3.884 1.00 0.00 WT2 H ATOM 34650 H2 TIP3 8095 -10.455 5.566 1.634 1.00 0.00 WT2 H ATOM 34651 OH2 TIP3 8096 -4.844 5.390 3.814 1.00 0.00 WT2 O ATOM 34652 H1 TIP3 8096 -5.278 2.728 -5.014 1.00 0.00 WT2 H ATOM 34653 H2 TIP3 8096 0.947 9.995 12.565 1.00 0.00 WT2 H ATOM 34654 OH2 TIP3 8104 1.756 -5.335 0.408 1.00 0.00 WT2 O ATOM 34655 H1 TIP3 8104 -6.380 -23.013 5.152 1.00 0.00 WT2 H ATOM 34656 H2 TIP3 8104 6.106 -9.118 -5.252 1.00 0.00 WT2 H ATOM 34657 OH2 TIP3 8106 -2.622 -0.440 -4.225 1.00 0.00 WT2 O ATOM 34658 H1 TIP3 8106 -14.265 -6.059 2.441 1.00 0.00 WT2 H ATOM 34659 H2 TIP3 8106 22.513 13.841 -6.194 1.00 0.00 WT2 H ATOM 34660 OH2 TIP3 8107 0.033 -3.519 0.790 1.00 0.00 WT2 O ATOM 34661 H1 TIP3 8107 12.814 13.096 -3.388 1.00 0.00 WT2 H ATOM 34662 H2 TIP3 8107 -11.504 1.302 2.020 1.00 0.00 WT2 H ATOM 34663 OH2 TIP3 8109 5.811 -6.333 -1.192 1.00 0.00 WT2 O ATOM 34664 H1 TIP3 8109 17.355 29.788 0.406 1.00 0.00 WT2 H ATOM 34665 H2 TIP3 8109 15.925 21.072 -1.122 1.00 0.00 WT2 H ATOM 34666 OH2 TIP3 8110 -6.561 2.406 5.839 1.00 0.00 WT2 O ATOM 34667 H1 TIP3 8110 -10.364 15.724 -7.843 1.00 0.00 WT2 H ATOM 34668 H2 TIP3 8110 -4.534 -3.546 -4.401 1.00 0.00 WT2 H ATOM 34669 OH2 TIP3 8111 -5.690 -4.498 -3.996 1.00 0.00 WT2 O ATOM 34670 H1 TIP3 8111 5.574 18.262 -5.204 1.00 0.00 WT2 H ATOM 34671 H2 TIP3 8111 6.373 -11.504 -9.739 1.00 0.00 WT2 H ATOM 34672 OH2 TIP3 8112 -0.852 1.122 -3.948 1.00 0.00 WT2 O ATOM 34673 H1 TIP3 8112 10.187 9.449 -0.682 1.00 0.00 WT2 H ATOM 34674 H2 TIP3 8112 -17.551 -31.964 0.124 1.00 0.00 WT2 H ATOM 34675 OH2 TIP3 8113 4.637 2.299 -1.677 1.00 0.00 WT2 O ATOM 34676 H1 TIP3 8113 4.897 -7.661 -9.727 1.00 0.00 WT2 H ATOM 34677 H2 TIP3 8113 -1.222 -1.202 8.685 1.00 0.00 WT2 H ATOM 34678 OH2 TIP3 8114 1.310 0.081 10.680 1.00 0.00 WT2 O ATOM 34679 H1 TIP3 8114 6.680 3.251 5.609 1.00 0.00 WT2 H ATOM 34680 H2 TIP3 8114 -21.780 8.503 -16.075 1.00 0.00 WT2 H ATOM 34681 OH2 TIP3 8126 -3.422 -2.451 0.700 1.00 0.00 WT2 O ATOM 34682 H1 TIP3 8126 0.398 4.560 0.260 1.00 0.00 WT2 H ATOM 34683 H2 TIP3 8126 10.989 18.782 -20.881 1.00 0.00 WT2 H ATOM 34684 OH2 TIP3 8129 -1.842 2.574 -3.962 1.00 0.00 WT2 O ATOM 34685 H1 TIP3 8129 3.091 -2.971 6.020 1.00 0.00 WT2 H ATOM 34686 H2 TIP3 8129 -8.737 -2.201 8.237 1.00 0.00 WT2 H ATOM 34687 OH2 TIP3 8131 -0.662 -5.992 -9.321 1.00 0.00 WT2 O ATOM 34688 H1 TIP3 8131 7.574 -2.725 -17.611 1.00 0.00 WT2 H ATOM 34689 H2 TIP3 8131 -2.327 3.176 1.285 1.00 0.00 WT2 H ATOM 34690 OH2 TIP3 8135 2.441 4.732 -6.090 1.00 0.00 WT2 O ATOM 34691 H1 TIP3 8135 6.068 17.341 -7.565 1.00 0.00 WT2 H ATOM 34692 H2 TIP3 8135 11.301 -6.801 3.512 1.00 0.00 WT2 H ATOM 34693 OH2 TIP3 8136 1.495 -6.163 -7.811 1.00 0.00 WT2 O ATOM 34694 H1 TIP3 8136 -11.575 -17.969 -16.667 1.00 0.00 WT2 H ATOM 34695 H2 TIP3 8136 -1.887 -1.486 13.031 1.00 0.00 WT2 H ATOM 34696 OH2 TIP3 8150 -1.786 -4.446 -0.326 1.00 0.00 WT2 O ATOM 34697 H1 TIP3 8150 1.634 -3.838 -5.793 1.00 0.00 WT2 H ATOM 34698 H2 TIP3 8150 0.106 0.331 0.403 1.00 0.00 WT2 H ATOM 34699 OH2 TIP3 8152 -2.116 -2.680 0.909 1.00 0.00 WT2 O ATOM 34700 H1 TIP3 8152 13.381 -1.819 -7.063 1.00 0.00 WT2 H ATOM 34701 H2 TIP3 8152 -8.042 -8.685 -0.955 1.00 0.00 WT2 H ATOM 34702 OH2 TIP3 8154 -9.769 0.766 -4.262 1.00 0.00 WT2 O ATOM 34703 H1 TIP3 8154 -8.130 2.248 5.778 1.00 0.00 WT2 H ATOM 34704 H2 TIP3 8154 -1.256 5.526 -6.741 1.00 0.00 WT2 H ATOM 34705 OH2 TIP3 8155 2.199 -1.761 3.629 1.00 0.00 WT2 O ATOM 34706 H1 TIP3 8155 -12.008 -13.893 20.038 1.00 0.00 WT2 H ATOM 34707 H2 TIP3 8155 19.425 4.218 2.017 1.00 0.00 WT2 H ATOM 34708 OH2 TIP3 8157 0.210 5.695 3.670 1.00 0.00 WT2 O ATOM 34709 H1 TIP3 8157 0.856 -12.846 10.797 1.00 0.00 WT2 H ATOM 34710 H2 TIP3 8157 12.814 7.232 -0.665 1.00 0.00 WT2 H ATOM 34711 OH2 TIP3 8159 -0.727 -4.305 -0.524 1.00 0.00 WT2 O ATOM 34712 H1 TIP3 8159 14.245 -5.626 9.602 1.00 0.00 WT2 H ATOM 34713 H2 TIP3 8159 -15.542 12.571 5.942 1.00 0.00 WT2 H ATOM 34714 OH2 TIP3 8169 1.838 1.228 4.678 1.00 0.00 WT2 O ATOM 34715 H1 TIP3 8169 2.275 -2.270 8.956 1.00 0.00 WT2 H ATOM 34716 H2 TIP3 8169 0.699 -3.629 -7.341 1.00 0.00 WT2 H ATOM 34717 OH2 TIP3 8171 6.275 8.161 -1.719 1.00 0.00 WT2 O ATOM 34718 H1 TIP3 8171 -19.029 38.693 -21.035 1.00 0.00 WT2 H ATOM 34719 H2 TIP3 8171 2.546 6.592 -8.207 1.00 0.00 WT2 H ATOM 34720 OH2 TIP3 8173 4.797 0.568 0.238 1.00 0.00 WT2 O ATOM 34721 H1 TIP3 8173 -0.144 -10.380 4.926 1.00 0.00 WT2 H ATOM 34722 H2 TIP3 8173 10.697 3.759 -9.980 1.00 0.00 WT2 H ATOM 34723 OH2 TIP3 8174 -0.162 -1.950 -0.463 1.00 0.00 WT2 O ATOM 34724 H1 TIP3 8174 -5.112 2.663 -13.363 1.00 0.00 WT2 H ATOM 34725 H2 TIP3 8174 -1.486 1.632 1.059 1.00 0.00 WT2 H ATOM 34726 OH2 TIP3 8178 -2.409 -3.401 3.387 1.00 0.00 WT2 O ATOM 34727 H1 TIP3 8178 2.278 6.558 -0.174 1.00 0.00 WT2 H ATOM 34728 H2 TIP3 8178 -7.163 -9.710 5.278 1.00 0.00 WT2 H ATOM 34729 OH2 TIP3 8181 -2.523 1.216 -3.717 1.00 0.00 WT2 O ATOM 34730 H1 TIP3 8181 11.977 -6.405 17.899 1.00 0.00 WT2 H ATOM 34731 H2 TIP3 8181 14.991 19.765 -6.362 1.00 0.00 WT2 H ATOM 34732 OH2 TIP3 8192 -5.914 -2.697 2.278 1.00 0.00 WT2 O ATOM 34733 H1 TIP3 8192 -10.554 13.984 4.733 1.00 0.00 WT2 H ATOM 34734 H2 TIP3 8192 -1.523 3.694 15.455 1.00 0.00 WT2 H ATOM 34735 OH2 TIP3 8193 6.030 -0.571 -1.297 1.00 0.00 WT2 O ATOM 34736 H1 TIP3 8193 13.624 0.978 3.995 1.00 0.00 WT2 H ATOM 34737 H2 TIP3 8193 -1.613 -0.298 2.648 1.00 0.00 WT2 H ATOM 34738 OH2 TIP3 8194 -2.008 -0.432 -0.280 1.00 0.00 WT2 O ATOM 34739 H1 TIP3 8194 -4.155 2.707 2.154 1.00 0.00 WT2 H ATOM 34740 H2 TIP3 8194 0.954 -2.141 1.579 1.00 0.00 WT2 H ATOM 34741 OH2 TIP3 8196 -1.602 5.860 -0.044 1.00 0.00 WT2 O ATOM 34742 H1 TIP3 8196 7.327 15.117 -7.576 1.00 0.00 WT2 H ATOM 34743 H2 TIP3 8196 -6.556 -1.823 -11.373 1.00 0.00 WT2 H ATOM 34744 OH2 TIP3 8198 4.186 -2.624 -3.025 1.00 0.00 WT2 O ATOM 34745 H1 TIP3 8198 3.770 -7.499 -11.250 1.00 0.00 WT2 H ATOM 34746 H2 TIP3 8198 12.018 0.833 -0.533 1.00 0.00 WT2 H ATOM 34747 OH2 TIP3 8200 -1.686 -1.507 -5.180 1.00 0.00 WT2 O ATOM 34748 H1 TIP3 8200 0.391 -15.453 -5.047 1.00 0.00 WT2 H ATOM 34749 H2 TIP3 8200 -0.421 -15.644 -4.640 1.00 0.00 WT2 H ATOM 34750 OH2 TIP3 8211 2.630 -0.314 6.654 1.00 0.00 WT2 O ATOM 34751 H1 TIP3 8211 -6.204 1.039 13.277 1.00 0.00 WT2 H ATOM 34752 H2 TIP3 8211 -2.032 3.137 9.673 1.00 0.00 WT2 H ATOM 34753 OH2 TIP3 8212 -2.018 0.235 -2.814 1.00 0.00 WT2 O ATOM 34754 H1 TIP3 8212 0.651 -13.186 -6.096 1.00 0.00 WT2 H ATOM 34755 H2 TIP3 8212 4.077 21.681 6.373 1.00 0.00 WT2 H ATOM 34756 OH2 TIP3 8215 -2.737 0.658 2.580 1.00 0.00 WT2 O ATOM 34757 H1 TIP3 8215 11.841 -12.449 6.383 1.00 0.00 WT2 H ATOM 34758 H2 TIP3 8215 -1.909 -11.904 -9.810 1.00 0.00 WT2 H ATOM 34759 OH2 TIP3 8216 -3.075 4.404 7.927 1.00 0.00 WT2 O ATOM 34760 H1 TIP3 8216 10.794 -1.436 14.831 1.00 0.00 WT2 H ATOM 34761 H2 TIP3 8216 -11.493 5.592 20.666 1.00 0.00 WT2 H ATOM 34762 OH2 TIP3 8218 -1.524 2.808 -2.558 1.00 0.00 WT2 O ATOM 34763 H1 TIP3 8218 -0.246 5.854 -10.181 1.00 0.00 WT2 H ATOM 34764 H2 TIP3 8218 -0.267 6.099 12.506 1.00 0.00 WT2 H ATOM 34765 OH2 TIP3 8219 3.975 -1.114 4.879 1.00 0.00 WT2 O ATOM 34766 H1 TIP3 8219 -15.801 16.191 2.052 1.00 0.00 WT2 H ATOM 34767 H2 TIP3 8219 26.579 0.468 2.057 1.00 0.00 WT2 H ATOM 34768 OH2 TIP3 8231 -5.191 1.780 0.821 1.00 0.00 WT2 O ATOM 34769 H1 TIP3 8231 2.943 5.775 -6.673 1.00 0.00 WT2 H ATOM 34770 H2 TIP3 8231 -5.436 -6.934 6.686 1.00 0.00 WT2 H ATOM 34771 OH2 TIP3 8233 2.106 5.349 3.354 1.00 0.00 WT2 O ATOM 34772 H1 TIP3 8233 -21.097 -5.076 -4.934 1.00 0.00 WT2 H ATOM 34773 H2 TIP3 8233 -12.320 2.193 14.661 1.00 0.00 WT2 H ATOM 34774 OH2 TIP3 8234 2.049 -2.081 1.313 1.00 0.00 WT2 O ATOM 34775 H1 TIP3 8234 -9.334 -1.701 -16.780 1.00 0.00 WT2 H ATOM 34776 H2 TIP3 8234 9.744 -14.539 15.748 1.00 0.00 WT2 H ATOM 34777 OH2 TIP3 8235 12.647 -1.334 0.472 1.00 0.00 WT2 O ATOM 34778 H1 TIP3 8235 12.392 -11.389 6.926 1.00 0.00 WT2 H ATOM 34779 H2 TIP3 8235 4.238 3.211 -4.612 1.00 0.00 WT2 H ATOM 34780 OH2 TIP3 8239 -3.896 1.373 -3.151 1.00 0.00 WT2 O ATOM 34781 H1 TIP3 8239 5.569 -0.356 3.065 1.00 0.00 WT2 H ATOM 34782 H2 TIP3 8239 -4.283 16.879 -10.513 1.00 0.00 WT2 H ATOM 34783 OH2 TIP3 8240 6.045 -0.486 0.417 1.00 0.00 WT2 O ATOM 34784 H1 TIP3 8240 3.130 2.919 12.044 1.00 0.00 WT2 H ATOM 34785 H2 TIP3 8240 -10.228 -0.018 -4.895 1.00 0.00 WT2 H ATOM 34786 OH2 TIP3 8242 0.026 1.049 0.643 1.00 0.00 WT2 O ATOM 34787 H1 TIP3 8242 1.342 11.351 -5.179 1.00 0.00 WT2 H ATOM 34788 H2 TIP3 8242 0.488 3.440 12.129 1.00 0.00 WT2 H ATOM 34789 OH2 TIP3 8256 5.668 -8.029 1.353 1.00 0.00 WT2 O ATOM 34790 H1 TIP3 8256 1.130 -21.810 -1.451 1.00 0.00 WT2 H ATOM 34791 H2 TIP3 8256 32.949 17.191 3.191 1.00 0.00 WT2 H ATOM 34792 OH2 TIP3 8257 -3.537 -4.280 1.211 1.00 0.00 WT2 O ATOM 34793 H1 TIP3 8257 6.198 -3.049 6.183 1.00 0.00 WT2 H ATOM 34794 H2 TIP3 8257 -9.584 13.495 -8.779 1.00 0.00 WT2 H ATOM 34795 OH2 TIP3 8258 -0.113 -0.962 -3.919 1.00 0.00 WT2 O ATOM 34796 H1 TIP3 8258 27.047 10.605 -10.213 1.00 0.00 WT2 H ATOM 34797 H2 TIP3 8258 -28.384 -12.974 5.708 1.00 0.00 WT2 H ATOM 34798 OH2 TIP3 8259 4.619 -7.086 4.490 1.00 0.00 WT2 O ATOM 34799 H1 TIP3 8259 -1.079 -7.438 -1.929 1.00 0.00 WT2 H ATOM 34800 H2 TIP3 8259 23.810 -3.776 1.406 1.00 0.00 WT2 H ATOM 34801 OH2 TIP3 8260 0.921 -0.145 1.536 1.00 0.00 WT2 O ATOM 34802 H1 TIP3 8260 3.722 9.213 15.352 1.00 0.00 WT2 H ATOM 34803 H2 TIP3 8260 -21.298 8.463 24.849 1.00 0.00 WT2 H ATOM 34804 OH2 TIP3 8276 -3.147 2.503 -5.772 1.00 0.00 WT2 O ATOM 34805 H1 TIP3 8276 -13.688 8.117 6.920 1.00 0.00 WT2 H ATOM 34806 H2 TIP3 8276 5.864 -3.020 4.363 1.00 0.00 WT2 H ATOM 34807 OH2 TIP3 8277 -5.299 3.271 8.573 1.00 0.00 WT2 O ATOM 34808 H1 TIP3 8277 -23.211 -2.444 -17.712 1.00 0.00 WT2 H ATOM 34809 H2 TIP3 8277 -9.232 -27.299 6.728 1.00 0.00 WT2 H ATOM 34810 OH2 TIP3 8278 0.632 8.174 -3.753 1.00 0.00 WT2 O ATOM 34811 H1 TIP3 8278 -7.709 10.558 11.299 1.00 0.00 WT2 H ATOM 34812 H2 TIP3 8278 24.546 11.033 -6.434 1.00 0.00 WT2 H ATOM 34813 OH2 TIP3 8279 -4.238 8.840 -6.218 1.00 0.00 WT2 O ATOM 34814 H1 TIP3 8279 -5.502 5.894 -5.919 1.00 0.00 WT2 H ATOM 34815 H2 TIP3 8279 -4.956 8.549 -2.498 1.00 0.00 WT2 H ATOM 34816 OH2 TIP3 8280 -6.828 -1.849 -1.248 1.00 0.00 WT2 O ATOM 34817 H1 TIP3 8280 10.324 9.940 -17.141 1.00 0.00 WT2 H ATOM 34818 H2 TIP3 8280 -0.471 -3.767 -3.958 1.00 0.00 WT2 H ATOM 34819 OH2 TIP3 8281 2.710 -4.595 -2.257 1.00 0.00 WT2 O ATOM 34820 H1 TIP3 8281 31.505 -12.362 -13.257 1.00 0.00 WT2 H ATOM 34821 H2 TIP3 8281 -26.516 2.669 -39.606 1.00 0.00 WT2 H ATOM 34822 OH2 TIP3 8297 -8.595 -0.494 -7.393 1.00 0.00 WT2 O ATOM 34823 H1 TIP3 8297 15.617 -27.153 -1.544 1.00 0.00 WT2 H ATOM 34824 H2 TIP3 8297 -9.301 2.642 -14.728 1.00 0.00 WT2 H ATOM 34825 OH2 TIP3 8300 0.302 0.829 -1.561 1.00 0.00 WT2 O ATOM 34826 H1 TIP3 8300 9.192 -10.990 13.665 1.00 0.00 WT2 H ATOM 34827 H2 TIP3 8300 -23.086 -4.386 16.330 1.00 0.00 WT2 H ATOM 34828 OH2 TIP3 8301 2.007 -2.748 -1.836 1.00 0.00 WT2 O ATOM 34829 H1 TIP3 8301 0.569 15.449 -24.125 1.00 0.00 WT2 H ATOM 34830 H2 TIP3 8301 0.651 -4.810 0.452 1.00 0.00 WT2 H ATOM 34831 OH2 TIP3 8302 7.786 1.282 1.479 1.00 0.00 WT2 O ATOM 34832 H1 TIP3 8302 21.289 -31.858 14.866 1.00 0.00 WT2 H ATOM 34833 H2 TIP3 8302 2.135 22.694 -4.640 1.00 0.00 WT2 H ATOM 34834 OH2 TIP3 8305 -0.426 0.288 -7.753 1.00 0.00 WT2 O ATOM 34835 H1 TIP3 8305 7.247 -2.932 13.650 1.00 0.00 WT2 H ATOM 34836 H2 TIP3 8305 -3.965 18.184 -17.645 1.00 0.00 WT2 H ATOM 34837 OH2 TIP3 8315 1.024 -1.015 0.668 1.00 0.00 WT2 O ATOM 34838 H1 TIP3 8315 9.814 -4.085 -1.024 1.00 0.00 WT2 H ATOM 34839 H2 TIP3 8315 19.244 -7.437 -2.582 1.00 0.00 WT2 H ATOM 34840 OH2 TIP3 8317 -5.744 -0.179 -0.925 1.00 0.00 WT2 O ATOM 34841 H1 TIP3 8317 -7.557 3.389 -5.433 1.00 0.00 WT2 H ATOM 34842 H2 TIP3 8317 -2.216 -6.337 5.663 1.00 0.00 WT2 H ATOM 34843 OH2 TIP3 8319 6.392 -1.266 1.311 1.00 0.00 WT2 O ATOM 34844 H1 TIP3 8319 -12.842 7.103 14.316 1.00 0.00 WT2 H ATOM 34845 H2 TIP3 8319 -8.160 -19.437 -19.324 1.00 0.00 WT2 H ATOM 34846 OH2 TIP3 8322 1.034 3.549 0.266 1.00 0.00 WT2 O ATOM 34847 H1 TIP3 8322 -9.716 -19.259 9.144 1.00 0.00 WT2 H ATOM 34848 H2 TIP3 8322 -2.081 -4.211 3.474 1.00 0.00 WT2 H ATOM 34849 OH2 TIP3 8323 -5.544 2.291 -5.340 1.00 0.00 WT2 O ATOM 34850 H1 TIP3 8323 2.103 -11.611 -6.059 1.00 0.00 WT2 H ATOM 34851 H2 TIP3 8323 -0.363 -10.483 -3.345 1.00 0.00 WT2 H ATOM 34852 OH2 TIP3 8324 -4.582 -5.109 -0.192 1.00 0.00 WT2 O ATOM 34853 H1 TIP3 8324 -10.560 -8.332 -9.005 1.00 0.00 WT2 H ATOM 34854 H2 TIP3 8324 -0.052 7.531 14.764 1.00 0.00 WT2 H ATOM 34855 OH2 TIP3 8325 3.991 -0.248 4.635 1.00 0.00 WT2 O ATOM 34856 H1 TIP3 8325 7.154 -3.700 -22.978 1.00 0.00 WT2 H ATOM 34857 H2 TIP3 8325 11.927 8.784 5.151 1.00 0.00 WT2 H ATOM 34858 OH2 TIP3 8338 -6.699 8.741 -0.516 1.00 0.00 WT2 O ATOM 34859 H1 TIP3 8338 -8.782 -8.203 13.428 1.00 0.00 WT2 H ATOM 34860 H2 TIP3 8338 8.248 -14.103 7.624 1.00 0.00 WT2 H ATOM 34861 OH2 TIP3 8339 1.931 3.705 -0.958 1.00 0.00 WT2 O ATOM 34862 H1 TIP3 8339 8.037 7.471 5.220 1.00 0.00 WT2 H ATOM 34863 H2 TIP3 8339 -4.876 9.913 -2.350 1.00 0.00 WT2 H ATOM 34864 OH2 TIP3 8344 6.563 -1.527 -1.522 1.00 0.00 WT2 O ATOM 34865 H1 TIP3 8344 3.754 -18.861 -7.603 1.00 0.00 WT2 H ATOM 34866 H2 TIP3 8344 4.102 -0.125 6.444 1.00 0.00 WT2 H ATOM 34867 OH2 TIP3 8345 0.166 -0.815 -2.438 1.00 0.00 WT2 O ATOM 34868 H1 TIP3 8345 -9.647 -10.651 -5.871 1.00 0.00 WT2 H ATOM 34869 H2 TIP3 8345 -8.435 2.225 7.554 1.00 0.00 WT2 H ATOM 34870 OH2 TIP3 8347 6.947 -4.540 -1.654 1.00 0.00 WT2 O ATOM 34871 H1 TIP3 8347 7.021 20.179 -18.815 1.00 0.00 WT2 H ATOM 34872 H2 TIP3 8347 11.315 4.395 -10.550 1.00 0.00 WT2 H ATOM 34873 OH2 TIP3 8362 -3.482 -3.490 2.390 1.00 0.00 WT2 O ATOM 34874 H1 TIP3 8362 -2.995 0.738 6.861 1.00 0.00 WT2 H ATOM 34875 H2 TIP3 8362 4.475 -16.648 4.569 1.00 0.00 WT2 H ATOM 34876 OH2 TIP3 8363 -3.841 0.359 -0.528 1.00 0.00 WT2 O ATOM 34877 H1 TIP3 8363 4.378 -30.375 -4.515 1.00 0.00 WT2 H ATOM 34878 H2 TIP3 8363 38.838 -2.523 6.490 1.00 0.00 WT2 H ATOM 34879 OH2 TIP3 8364 2.518 -0.079 2.294 1.00 0.00 WT2 O ATOM 34880 H1 TIP3 8364 14.686 -4.809 -12.678 1.00 0.00 WT2 H ATOM 34881 H2 TIP3 8364 7.428 -10.881 -9.108 1.00 0.00 WT2 H ATOM 34882 OH2 TIP3 8365 3.834 -0.853 -1.717 1.00 0.00 WT2 O ATOM 34883 H1 TIP3 8365 -5.592 -2.847 8.944 1.00 0.00 WT2 H ATOM 34884 H2 TIP3 8365 6.816 -3.857 -3.442 1.00 0.00 WT2 H ATOM 34885 OH2 TIP3 8366 6.734 4.952 0.551 1.00 0.00 WT2 O ATOM 34886 H1 TIP3 8366 13.294 7.640 12.423 1.00 0.00 WT2 H ATOM 34887 H2 TIP3 8366 5.948 2.836 -2.239 1.00 0.00 WT2 H ATOM 34888 OH2 TIP3 8367 3.557 -0.583 -5.930 1.00 0.00 WT2 O ATOM 34889 H1 TIP3 8367 -5.131 4.469 -2.838 1.00 0.00 WT2 H ATOM 34890 H2 TIP3 8367 -9.902 3.742 -3.719 1.00 0.00 WT2 H ATOM 34891 OH2 TIP3 8377 -3.814 2.153 5.773 1.00 0.00 WT2 O ATOM 34892 H1 TIP3 8377 22.075 -17.972 -11.652 1.00 0.00 WT2 H ATOM 34893 H2 TIP3 8377 9.754 -13.628 -10.396 1.00 0.00 WT2 H ATOM 34894 OH2 TIP3 8378 5.122 4.155 5.637 1.00 0.00 WT2 O ATOM 34895 H1 TIP3 8378 2.376 4.740 4.210 1.00 0.00 WT2 H ATOM 34896 H2 TIP3 8378 5.019 0.684 7.493 1.00 0.00 WT2 H ATOM 34897 OH2 TIP3 8379 4.370 -0.246 5.151 1.00 0.00 WT2 O ATOM 34898 H1 TIP3 8379 12.677 -10.008 4.994 1.00 0.00 WT2 H ATOM 34899 H2 TIP3 8379 4.340 32.490 -14.523 1.00 0.00 WT2 H ATOM 34900 OH2 TIP3 8380 4.467 4.065 -0.555 1.00 0.00 WT2 O ATOM 34901 H1 TIP3 8380 1.480 3.671 5.815 1.00 0.00 WT2 H ATOM 34902 H2 TIP3 8380 -5.652 -1.456 8.657 1.00 0.00 WT2 H ATOM 34903 OH2 TIP3 8381 0.455 0.454 2.007 1.00 0.00 WT2 O ATOM 34904 H1 TIP3 8381 5.997 4.046 5.603 1.00 0.00 WT2 H ATOM 34905 H2 TIP3 8381 0.487 -0.909 -3.129 1.00 0.00 WT2 H ATOM 34906 OH2 TIP3 8382 -2.894 1.861 -1.224 1.00 0.00 WT2 O ATOM 34907 H1 TIP3 8382 -26.516 -18.172 -1.825 1.00 0.00 WT2 H ATOM 34908 H2 TIP3 8382 -3.895 29.288 -4.497 1.00 0.00 WT2 H ATOM 34909 OH2 TIP3 8383 -2.121 0.995 3.213 1.00 0.00 WT2 O ATOM 34910 H1 TIP3 8383 -4.784 -5.241 11.282 1.00 0.00 WT2 H ATOM 34911 H2 TIP3 8383 -5.208 -8.712 12.994 1.00 0.00 WT2 H ATOM 34912 OH2 TIP3 8384 -0.070 -3.685 0.726 1.00 0.00 WT2 O ATOM 34913 H1 TIP3 8384 6.332 -2.452 3.639 1.00 0.00 WT2 H ATOM 34914 H2 TIP3 8384 9.750 17.376 -14.272 1.00 0.00 WT2 H ATOM 34915 OH2 TIP3 8385 -2.129 1.623 2.178 1.00 0.00 WT2 O ATOM 34916 H1 TIP3 8385 -10.065 11.079 -3.976 1.00 0.00 WT2 H ATOM 34917 H2 TIP3 8385 -6.520 -10.188 -3.481 1.00 0.00 WT2 H ATOM 34918 OH2 TIP3 8386 0.102 -0.269 3.906 1.00 0.00 WT2 O ATOM 34919 H1 TIP3 8386 -5.739 -5.184 0.163 1.00 0.00 WT2 H ATOM 34920 H2 TIP3 8386 23.354 10.049 18.894 1.00 0.00 WT2 H ATOM 34921 OH2 TIP3 8388 2.831 -6.240 0.741 1.00 0.00 WT2 O ATOM 34922 H1 TIP3 8388 4.043 -4.175 4.803 1.00 0.00 WT2 H ATOM 34923 H2 TIP3 8388 -1.683 -11.742 -28.867 1.00 0.00 WT2 H ATOM 34924 OH2 TIP3 8389 -10.431 -10.761 -1.496 1.00 0.00 WT2 O ATOM 34925 H1 TIP3 8389 -17.895 -6.554 7.731 1.00 0.00 WT2 H ATOM 34926 H2 TIP3 8389 3.275 -3.787 4.890 1.00 0.00 WT2 H ATOM 34927 OH2 TIP3 8390 -0.182 -0.967 -4.087 1.00 0.00 WT2 O ATOM 34928 H1 TIP3 8390 12.953 14.792 -18.897 1.00 0.00 WT2 H ATOM 34929 H2 TIP3 8390 3.691 8.190 19.658 1.00 0.00 WT2 H ATOM 34930 OH2 TIP3 8403 -2.415 0.607 0.765 1.00 0.00 WT2 O ATOM 34931 H1 TIP3 8403 -4.871 3.092 -13.737 1.00 0.00 WT2 H ATOM 34932 H2 TIP3 8403 3.135 14.567 0.992 1.00 0.00 WT2 H ATOM 34933 OH2 TIP3 8405 4.169 4.016 1.258 1.00 0.00 WT2 O ATOM 34934 H1 TIP3 8405 13.210 17.890 21.919 1.00 0.00 WT2 H ATOM 34935 H2 TIP3 8405 -0.329 -5.276 -11.121 1.00 0.00 WT2 H ATOM 34936 OH2 TIP3 8411 3.029 2.947 -0.812 1.00 0.00 WT2 O ATOM 34937 H1 TIP3 8411 -4.215 -9.116 8.934 1.00 0.00 WT2 H ATOM 34938 H2 TIP3 8411 23.095 -23.248 -0.070 1.00 0.00 WT2 H ATOM 34939 OH2 TIP3 8425 -1.747 1.875 7.939 1.00 0.00 WT2 O ATOM 34940 H1 TIP3 8425 1.891 5.888 9.268 1.00 0.00 WT2 H ATOM 34941 H2 TIP3 8425 2.844 -20.454 14.862 1.00 0.00 WT2 H ATOM 34942 OH2 TIP3 8427 1.832 -4.704 -3.868 1.00 0.00 WT2 O ATOM 34943 H1 TIP3 8427 5.296 -5.637 13.493 1.00 0.00 WT2 H ATOM 34944 H2 TIP3 8427 -14.689 -6.609 -4.889 1.00 0.00 WT2 H ATOM 34945 OH2 TIP3 8428 1.405 3.686 3.604 1.00 0.00 WT2 O ATOM 34946 H1 TIP3 8428 5.321 4.121 3.298 1.00 0.00 WT2 H ATOM 34947 H2 TIP3 8428 -2.559 20.014 6.809 1.00 0.00 WT2 H ATOM 34948 OH2 TIP3 8431 -3.054 0.875 2.563 1.00 0.00 WT2 O ATOM 34949 H1 TIP3 8431 -5.816 -8.424 17.448 1.00 0.00 WT2 H ATOM 34950 H2 TIP3 8431 -9.977 0.832 -24.467 1.00 0.00 WT2 H ATOM 34951 OH2 TIP3 8441 3.232 -0.832 3.124 1.00 0.00 WT2 O ATOM 34952 H1 TIP3 8441 -1.379 -9.344 3.785 1.00 0.00 WT2 H ATOM 34953 H2 TIP3 8441 15.881 23.019 -0.039 1.00 0.00 WT2 H ATOM 34954 OH2 TIP3 8442 4.182 -0.363 4.762 1.00 0.00 WT2 O ATOM 34955 H1 TIP3 8442 -16.439 -11.490 19.325 1.00 0.00 WT2 H ATOM 34956 H2 TIP3 8442 -9.913 22.441 7.312 1.00 0.00 WT2 H ATOM 34957 OH2 TIP3 8444 9.285 -1.668 2.877 1.00 0.00 WT2 O ATOM 34958 H1 TIP3 8444 -8.851 2.928 -5.354 1.00 0.00 WT2 H ATOM 34959 H2 TIP3 8444 26.042 -11.317 -19.135 1.00 0.00 WT2 H ATOM 34960 OH2 TIP3 8445 -2.711 -0.369 0.345 1.00 0.00 WT2 O ATOM 34961 H1 TIP3 8445 -11.470 2.887 10.135 1.00 0.00 WT2 H ATOM 34962 H2 TIP3 8445 2.216 -11.602 6.849 1.00 0.00 WT2 H ATOM 34963 OH2 TIP3 8446 -1.602 -6.176 -2.018 1.00 0.00 WT2 O ATOM 34964 H1 TIP3 8446 19.882 23.188 -13.958 1.00 0.00 WT2 H ATOM 34965 H2 TIP3 8446 7.286 -5.401 -9.385 1.00 0.00 WT2 H ATOM 34966 OH2 TIP3 8449 9.115 -4.576 -9.441 1.00 0.00 WT2 O ATOM 34967 H1 TIP3 8449 -1.516 -13.553 -3.192 1.00 0.00 WT2 H ATOM 34968 H2 TIP3 8449 9.130 -5.876 -8.367 1.00 0.00 WT2 H ATOM 34969 OH2 TIP3 8455 7.582 0.406 2.173 1.00 0.00 WT2 O ATOM 34970 H1 TIP3 8455 12.983 13.160 7.492 1.00 0.00 WT2 H ATOM 34971 H2 TIP3 8455 -2.706 -25.367 -7.810 1.00 0.00 WT2 H ATOM 34972 OH2 TIP3 8462 4.731 2.161 -2.508 1.00 0.00 WT2 O ATOM 34973 H1 TIP3 8462 -19.161 -3.577 -1.810 1.00 0.00 WT2 H ATOM 34974 H2 TIP3 8462 13.912 10.922 17.600 1.00 0.00 WT2 H ATOM 34975 OH2 TIP3 8463 -3.877 0.223 -1.480 1.00 0.00 WT2 O ATOM 34976 H1 TIP3 8463 17.057 7.732 -13.342 1.00 0.00 WT2 H ATOM 34977 H2 TIP3 8463 -8.420 -24.265 -8.504 1.00 0.00 WT2 H ATOM 34978 OH2 TIP3 8465 -2.210 5.756 2.457 1.00 0.00 WT2 O ATOM 34979 H1 TIP3 8465 15.541 -2.328 5.170 1.00 0.00 WT2 H ATOM 34980 H2 TIP3 8465 8.393 4.080 3.120 1.00 0.00 WT2 H ATOM 34981 OH2 TIP3 8466 0.939 3.640 -4.368 1.00 0.00 WT2 O ATOM 34982 H1 TIP3 8466 -11.778 0.235 -6.996 1.00 0.00 WT2 H ATOM 34983 H2 TIP3 8466 5.489 3.517 -9.947 1.00 0.00 WT2 H ATOM 34984 OH2 TIP3 8468 -1.143 -1.546 -1.269 1.00 0.00 WT2 O ATOM 34985 H1 TIP3 8468 -4.672 -0.138 5.452 1.00 0.00 WT2 H ATOM 34986 H2 TIP3 8468 2.856 4.606 -4.730 1.00 0.00 WT2 H ATOM 34987 OH2 TIP3 8471 -6.255 -3.181 2.283 1.00 0.00 WT2 O ATOM 34988 H1 TIP3 8471 -5.274 -14.056 -1.314 1.00 0.00 WT2 H ATOM 34989 H2 TIP3 8471 -13.806 -8.282 -4.208 1.00 0.00 WT2 H ATOM 34990 OH2 TIP3 8486 -5.855 -0.494 -6.860 1.00 0.00 WT2 O ATOM 34991 H1 TIP3 8486 -1.402 -19.278 1.792 1.00 0.00 WT2 H ATOM 34992 H2 TIP3 8486 10.586 8.399 -18.817 1.00 0.00 WT2 H ATOM 34993 OH2 TIP3 8487 1.821 -4.500 -2.295 1.00 0.00 WT2 O ATOM 34994 H1 TIP3 8487 14.719 3.431 -9.669 1.00 0.00 WT2 H ATOM 34995 H2 TIP3 8487 -5.823 -14.397 13.351 1.00 0.00 WT2 H ATOM 34996 OH2 TIP3 8488 -1.940 3.031 6.508 1.00 0.00 WT2 O ATOM 34997 H1 TIP3 8488 -27.460 24.539 6.605 1.00 0.00 WT2 H ATOM 34998 H2 TIP3 8488 10.158 12.939 4.790 1.00 0.00 WT2 H ATOM 34999 OH2 TIP3 8489 -1.286 6.483 0.332 1.00 0.00 WT2 O ATOM 35000 H1 TIP3 8489 1.450 5.721 -5.163 1.00 0.00 WT2 H ATOM 35001 H2 TIP3 8489 -0.176 4.180 -4.730 1.00 0.00 WT2 H ATOM 35002 OH2 TIP3 8490 0.021 4.308 -2.661 1.00 0.00 WT2 O ATOM 35003 H1 TIP3 8490 6.300 -16.485 -22.799 1.00 0.00 WT2 H ATOM 35004 H2 TIP3 8490 10.288 -1.249 -7.522 1.00 0.00 WT2 H ATOM 35005 OH2 TIP3 8493 0.842 -8.316 -1.844 1.00 0.00 WT2 O ATOM 35006 H1 TIP3 8493 -8.214 -12.321 -8.966 1.00 0.00 WT2 H ATOM 35007 H2 TIP3 8493 15.284 21.219 -4.700 1.00 0.00 WT2 H ATOM 35008 OH2 TIP3 8504 -3.289 2.908 3.897 1.00 0.00 WT2 O ATOM 35009 H1 TIP3 8504 -0.776 10.096 -1.757 1.00 0.00 WT2 H ATOM 35010 H2 TIP3 8504 6.688 1.554 11.364 1.00 0.00 WT2 H ATOM 35011 OH2 TIP3 8505 -2.871 -1.718 -0.828 1.00 0.00 WT2 O ATOM 35012 H1 TIP3 8505 5.571 -4.552 -8.211 1.00 0.00 WT2 H ATOM 35013 H2 TIP3 8505 0.352 -18.672 -4.104 1.00 0.00 WT2 H ATOM 35014 OH2 TIP3 8506 3.749 4.823 -2.239 1.00 0.00 WT2 O ATOM 35015 H1 TIP3 8506 -9.666 5.898 13.459 1.00 0.00 WT2 H ATOM 35016 H2 TIP3 8506 13.734 -9.995 6.174 1.00 0.00 WT2 H ATOM 35017 OH2 TIP3 8507 -3.456 -1.066 1.029 1.00 0.00 WT2 O ATOM 35018 H1 TIP3 8507 16.233 -1.534 -10.158 1.00 0.00 WT2 H ATOM 35019 H2 TIP3 8507 -31.219 -6.624 5.872 1.00 0.00 WT2 H ATOM 35020 OH2 TIP3 8508 0.597 -5.864 0.818 1.00 0.00 WT2 O ATOM 35021 H1 TIP3 8508 -21.740 0.423 2.730 1.00 0.00 WT2 H ATOM 35022 H2 TIP3 8508 -5.751 -14.053 10.425 1.00 0.00 WT2 H ATOM 35023 OH2 TIP3 8509 -4.857 5.007 0.724 1.00 0.00 WT2 O ATOM 35024 H1 TIP3 8509 -1.355 0.734 -4.904 1.00 0.00 WT2 H ATOM 35025 H2 TIP3 8509 7.222 -21.266 7.205 1.00 0.00 WT2 H ATOM 35026 OH2 TIP3 8513 5.077 0.818 0.770 1.00 0.00 WT2 O ATOM 35027 H1 TIP3 8513 -11.996 7.516 -7.288 1.00 0.00 WT2 H ATOM 35028 H2 TIP3 8513 18.920 4.975 -14.244 1.00 0.00 WT2 H ATOM 35029 OH2 TIP3 8515 4.018 -1.903 -4.122 1.00 0.00 WT2 O ATOM 35030 H1 TIP3 8515 -12.758 -12.533 -16.116 1.00 0.00 WT2 H ATOM 35031 H2 TIP3 8515 -9.681 -7.248 3.555 1.00 0.00 WT2 H ATOM 35032 OH2 TIP3 8516 -1.219 -4.385 7.979 1.00 0.00 WT2 O ATOM 35033 H1 TIP3 8516 -1.767 -8.967 13.185 1.00 0.00 WT2 H ATOM 35034 H2 TIP3 8516 3.207 -7.353 4.856 1.00 0.00 WT2 H ATOM 35035 OH2 TIP3 8528 -7.445 -1.665 -2.523 1.00 0.00 WT2 O ATOM 35036 H1 TIP3 8528 -4.963 7.365 17.151 1.00 0.00 WT2 H ATOM 35037 H2 TIP3 8528 -7.032 -1.608 -3.286 1.00 0.00 WT2 H ATOM 35038 OH2 TIP3 8529 -1.097 0.688 1.366 1.00 0.00 WT2 O ATOM 35039 H1 TIP3 8529 1.484 -16.124 8.592 1.00 0.00 WT2 H ATOM 35040 H2 TIP3 8529 -5.788 8.530 -9.832 1.00 0.00 WT2 H ATOM 35041 OH2 TIP3 8530 6.190 1.509 3.576 1.00 0.00 WT2 O ATOM 35042 H1 TIP3 8530 4.030 8.462 -14.793 1.00 0.00 WT2 H ATOM 35043 H2 TIP3 8530 10.045 14.400 -4.118 1.00 0.00 WT2 H ATOM 35044 OH2 TIP3 8531 -2.105 5.966 5.188 1.00 0.00 WT2 O ATOM 35045 H1 TIP3 8531 -8.763 -0.951 -3.356 1.00 0.00 WT2 H ATOM 35046 H2 TIP3 8531 -13.105 -1.905 -4.613 1.00 0.00 WT2 H ATOM 35047 OH2 TIP3 8532 -3.758 -1.955 -2.716 1.00 0.00 WT2 O ATOM 35048 H1 TIP3 8532 8.009 5.432 -2.073 1.00 0.00 WT2 H ATOM 35049 H2 TIP3 8532 -10.987 -11.228 -4.829 1.00 0.00 WT2 H ATOM 35050 OH2 TIP3 8533 1.555 4.126 3.578 1.00 0.00 WT2 O ATOM 35051 H1 TIP3 8533 7.126 15.012 -8.331 1.00 0.00 WT2 H ATOM 35052 H2 TIP3 8533 10.719 -2.432 8.498 1.00 0.00 WT2 H ATOM 35053 OH2 TIP3 8534 -1.888 2.491 -3.742 1.00 0.00 WT2 O ATOM 35054 H1 TIP3 8534 3.766 14.977 -0.878 1.00 0.00 WT2 H ATOM 35055 H2 TIP3 8534 4.873 -0.326 10.606 1.00 0.00 WT2 H ATOM 35056 OH2 TIP3 8535 -3.294 -0.043 -6.386 1.00 0.00 WT2 O ATOM 35057 H1 TIP3 8535 3.386 -4.434 -13.625 1.00 0.00 WT2 H ATOM 35058 H2 TIP3 8535 -10.277 1.313 -13.067 1.00 0.00 WT2 H ATOM 35059 OH2 TIP3 8536 1.719 -2.493 0.600 1.00 0.00 WT2 O ATOM 35060 H1 TIP3 8536 1.208 0.530 6.160 1.00 0.00 WT2 H ATOM 35061 H2 TIP3 8536 -3.211 16.784 5.942 1.00 0.00 WT2 H ATOM 35062 OH2 TIP3 8539 -5.995 4.959 1.184 1.00 0.00 WT2 O ATOM 35063 H1 TIP3 8539 -7.020 10.712 -11.868 1.00 0.00 WT2 H ATOM 35064 H2 TIP3 8539 7.888 34.405 -16.390 1.00 0.00 WT2 H ATOM 35065 OH2 TIP3 8543 2.178 -0.995 0.380 1.00 0.00 WT2 O ATOM 35066 H1 TIP3 8543 -6.600 6.789 -2.054 1.00 0.00 WT2 H ATOM 35067 H2 TIP3 8543 -15.096 3.484 8.866 1.00 0.00 WT2 H ATOM 35068 OH2 TIP3 8548 0.761 4.041 -2.181 1.00 0.00 WT2 O ATOM 35069 H1 TIP3 8548 2.427 15.079 7.158 1.00 0.00 WT2 H ATOM 35070 H2 TIP3 8548 -8.968 -17.683 12.874 1.00 0.00 WT2 H ATOM 35071 OH2 TIP3 8549 1.428 1.844 -2.879 1.00 0.00 WT2 O ATOM 35072 H1 TIP3 8549 -13.688 -4.483 13.965 1.00 0.00 WT2 H ATOM 35073 H2 TIP3 8549 14.314 0.815 3.398 1.00 0.00 WT2 H ATOM 35074 OH2 TIP3 8550 -6.190 0.506 -0.048 1.00 0.00 WT2 O ATOM 35075 H1 TIP3 8550 -4.131 4.822 -8.329 1.00 0.00 WT2 H ATOM 35076 H2 TIP3 8550 -2.982 -7.626 -0.678 1.00 0.00 WT2 H ATOM 35077 OH2 TIP3 8551 0.435 -2.656 3.352 1.00 0.00 WT2 O ATOM 35078 H1 TIP3 8551 -4.765 0.690 5.828 1.00 0.00 WT2 H ATOM 35079 H2 TIP3 8551 -0.678 -0.065 -0.462 1.00 0.00 WT2 H ATOM 35080 OH2 TIP3 8553 -6.779 8.418 5.174 1.00 0.00 WT2 O ATOM 35081 H1 TIP3 8553 -27.240 12.408 29.370 1.00 0.00 WT2 H ATOM 35082 H2 TIP3 8553 22.277 9.043 17.645 1.00 0.00 WT2 H ATOM 35083 OH2 TIP3 8554 -6.070 -0.192 -2.098 1.00 0.00 WT2 O ATOM 35084 H1 TIP3 8554 -8.933 34.383 21.855 1.00 0.00 WT2 H ATOM 35085 H2 TIP3 8554 -7.865 -17.368 39.216 1.00 0.00 WT2 H ATOM 35086 OH2 TIP3 8556 -6.164 -11.860 2.938 1.00 0.00 WT2 O ATOM 35087 H1 TIP3 8556 4.428 21.971 -2.668 1.00 0.00 WT2 H ATOM 35088 H2 TIP3 8556 10.368 -25.196 1.233 1.00 0.00 WT2 H ATOM 35089 OH2 TIP3 8558 3.197 -10.525 -4.795 1.00 0.00 WT2 O ATOM 35090 H1 TIP3 8558 -0.037 29.774 20.690 1.00 0.00 WT2 H ATOM 35091 H2 TIP3 8558 12.511 6.887 14.312 1.00 0.00 WT2 H ATOM 35092 OH2 TIP3 8571 -0.412 -4.666 -3.537 1.00 0.00 WT2 O ATOM 35093 H1 TIP3 8571 -4.792 -11.630 -4.503 1.00 0.00 WT2 H ATOM 35094 H2 TIP3 8571 -3.814 -11.895 -5.902 1.00 0.00 WT2 H ATOM 35095 OH2 TIP3 8572 -7.939 -1.123 0.756 1.00 0.00 WT2 O ATOM 35096 H1 TIP3 8572 -8.906 -2.420 -1.212 1.00 0.00 WT2 H ATOM 35097 H2 TIP3 8572 -7.751 4.907 -0.570 1.00 0.00 WT2 H ATOM 35098 OH2 TIP3 8573 4.374 -5.805 4.545 1.00 0.00 WT2 O ATOM 35099 H1 TIP3 8573 0.523 -0.833 8.417 1.00 0.00 WT2 H ATOM 35100 H2 TIP3 8573 10.986 -5.587 7.647 1.00 0.00 WT2 H ATOM 35101 OH2 TIP3 8574 5.301 -4.234 4.001 1.00 0.00 WT2 O ATOM 35102 H1 TIP3 8574 19.160 -6.104 15.280 1.00 0.00 WT2 H ATOM 35103 H2 TIP3 8574 -15.401 -2.785 -6.297 1.00 0.00 WT2 H ATOM 35104 OH2 TIP3 8576 -2.774 -0.290 4.681 1.00 0.00 WT2 O ATOM 35105 H1 TIP3 8576 16.525 -6.931 13.917 1.00 0.00 WT2 H ATOM 35106 H2 TIP3 8576 14.470 20.037 -12.297 1.00 0.00 WT2 H ATOM 35107 OH2 TIP3 8589 -4.684 -4.167 7.472 1.00 0.00 WT2 O ATOM 35108 H1 TIP3 8589 -15.783 -3.548 11.676 1.00 0.00 WT2 H ATOM 35109 H2 TIP3 8589 -6.181 -7.716 -5.917 1.00 0.00 WT2 H ATOM 35110 OH2 TIP3 8590 1.214 -0.892 -9.254 1.00 0.00 WT2 O ATOM 35111 H1 TIP3 8590 -0.253 5.257 -5.496 1.00 0.00 WT2 H ATOM 35112 H2 TIP3 8590 0.833 -6.198 -11.116 1.00 0.00 WT2 H ATOM 35113 OH2 TIP3 8592 -9.843 -2.828 -4.956 1.00 0.00 WT2 O ATOM 35114 H1 TIP3 8592 -4.051 3.336 -4.052 1.00 0.00 WT2 H ATOM 35115 H2 TIP3 8592 -7.909 -4.320 4.523 1.00 0.00 WT2 H ATOM 35116 OH2 TIP3 8593 -2.098 5.436 4.979 1.00 0.00 WT2 O ATOM 35117 H1 TIP3 8593 7.810 -3.101 -6.279 1.00 0.00 WT2 H ATOM 35118 H2 TIP3 8593 20.302 0.353 9.957 1.00 0.00 WT2 H ATOM 35119 OH2 TIP3 8594 -7.146 2.293 -4.709 1.00 0.00 WT2 O ATOM 35120 H1 TIP3 8594 0.192 12.950 1.498 1.00 0.00 WT2 H ATOM 35121 H2 TIP3 8594 -1.332 1.890 -20.450 1.00 0.00 WT2 H ATOM 35122 OH2 TIP3 8611 0.764 -0.681 2.144 1.00 0.00 WT2 O ATOM 35123 H1 TIP3 8611 8.681 -2.726 9.147 1.00 0.00 WT2 H ATOM 35124 H2 TIP3 8611 4.563 -0.375 4.501 1.00 0.00 WT2 H ATOM 35125 OH2 TIP3 8613 0.158 1.305 7.541 1.00 0.00 WT2 O ATOM 35126 H1 TIP3 8613 10.199 -4.589 -2.374 1.00 0.00 WT2 H ATOM 35127 H2 TIP3 8613 -12.607 24.385 23.049 1.00 0.00 WT2 H ATOM 35128 OH2 TIP3 8616 -7.183 -3.348 -1.478 1.00 0.00 WT2 O ATOM 35129 H1 TIP3 8616 7.430 10.085 8.980 1.00 0.00 WT2 H ATOM 35130 H2 TIP3 8616 -24.053 2.661 3.805 1.00 0.00 WT2 H ATOM 35131 OH2 TIP3 8617 4.957 -0.266 -5.792 1.00 0.00 WT2 O ATOM 35132 H1 TIP3 8617 9.841 6.830 -6.253 1.00 0.00 WT2 H ATOM 35133 H2 TIP3 8617 -4.097 23.221 -7.917 1.00 0.00 WT2 H ATOM 35134 OH2 TIP3 8618 1.582 -0.385 4.684 1.00 0.00 WT2 O ATOM 35135 H1 TIP3 8618 -2.368 5.223 16.926 1.00 0.00 WT2 H ATOM 35136 H2 TIP3 8618 -2.330 1.603 11.470 1.00 0.00 WT2 H ATOM 35137 OH2 TIP3 8619 3.701 3.650 1.798 1.00 0.00 WT2 O ATOM 35138 H1 TIP3 8619 15.305 2.986 4.565 1.00 0.00 WT2 H ATOM 35139 H2 TIP3 8619 -12.315 2.378 4.044 1.00 0.00 WT2 H ATOM 35140 OH2 TIP3 8631 1.967 -4.226 -3.481 1.00 0.00 WT2 O ATOM 35141 H1 TIP3 8631 1.180 4.622 -10.747 1.00 0.00 WT2 H ATOM 35142 H2 TIP3 8631 -6.104 -0.460 2.023 1.00 0.00 WT2 H ATOM 35143 OH2 TIP3 8632 1.179 -2.728 -0.387 1.00 0.00 WT2 O ATOM 35144 H1 TIP3 8632 2.778 2.818 -0.263 1.00 0.00 WT2 H ATOM 35145 H2 TIP3 8632 1.991 2.057 15.604 1.00 0.00 WT2 H ATOM 35146 OH2 TIP3 8633 -1.837 1.291 -3.654 1.00 0.00 WT2 O ATOM 35147 H1 TIP3 8633 -4.011 -10.584 5.512 1.00 0.00 WT2 H ATOM 35148 H2 TIP3 8633 19.623 7.178 14.991 1.00 0.00 WT2 H ATOM 35149 OH2 TIP3 8634 1.712 7.879 0.814 1.00 0.00 WT2 O ATOM 35150 H1 TIP3 8634 9.241 -1.133 6.128 1.00 0.00 WT2 H ATOM 35151 H2 TIP3 8634 9.958 -1.878 4.314 1.00 0.00 WT2 H ATOM 35152 OH2 TIP3 8636 -1.961 4.954 -1.626 1.00 0.00 WT2 O ATOM 35153 H1 TIP3 8636 0.085 -0.715 3.176 1.00 0.00 WT2 H ATOM 35154 H2 TIP3 8636 -9.920 -1.653 -3.585 1.00 0.00 WT2 H ATOM 35155 OH2 TIP3 8638 -0.419 3.788 0.994 1.00 0.00 WT2 O ATOM 35156 H1 TIP3 8638 -2.061 2.614 -0.651 1.00 0.00 WT2 H ATOM 35157 H2 TIP3 8638 -11.008 9.283 7.092 1.00 0.00 WT2 H ATOM 35158 OH2 TIP3 8640 0.037 1.219 1.498 1.00 0.00 WT2 O ATOM 35159 H1 TIP3 8640 11.019 -11.617 -10.875 1.00 0.00 WT2 H ATOM 35160 H2 TIP3 8640 -2.743 13.126 16.904 1.00 0.00 WT2 H ATOM 35161 OH2 TIP3 8653 1.677 5.899 2.949 1.00 0.00 WT2 O ATOM 35162 H1 TIP3 8653 7.421 -11.662 5.483 1.00 0.00 WT2 H ATOM 35163 H2 TIP3 8653 11.071 4.168 -2.580 1.00 0.00 WT2 H ATOM 35164 OH2 TIP3 8654 -1.109 1.149 -1.037 1.00 0.00 WT2 O ATOM 35165 H1 TIP3 8654 1.817 7.550 -3.494 1.00 0.00 WT2 H ATOM 35166 H2 TIP3 8654 7.760 6.212 -4.180 1.00 0.00 WT2 H ATOM 35167 OH2 TIP3 8655 -2.313 8.266 0.615 1.00 0.00 WT2 O ATOM 35168 H1 TIP3 8655 2.234 3.801 7.923 1.00 0.00 WT2 H ATOM 35169 H2 TIP3 8655 3.787 4.156 -7.029 1.00 0.00 WT2 H ATOM 35170 OH2 TIP3 8656 -0.652 -3.051 -3.873 1.00 0.00 WT2 O ATOM 35171 H1 TIP3 8656 8.861 9.316 -14.067 1.00 0.00 WT2 H ATOM 35172 H2 TIP3 8656 -7.506 -5.809 -0.584 1.00 0.00 WT2 H ATOM 35173 OH2 TIP3 8657 -2.668 0.587 3.416 1.00 0.00 WT2 O ATOM 35174 H1 TIP3 8657 4.453 1.835 6.951 1.00 0.00 WT2 H ATOM 35175 H2 TIP3 8657 -11.089 15.175 5.526 1.00 0.00 WT2 H ATOM 35176 OH2 TIP3 8659 1.698 2.399 -2.600 1.00 0.00 WT2 O ATOM 35177 H1 TIP3 8659 2.219 6.388 -20.978 1.00 0.00 WT2 H ATOM 35178 H2 TIP3 8659 -7.976 3.585 12.816 1.00 0.00 WT2 H ATOM 35179 OH2 TIP3 8660 -0.949 -0.063 -0.668 1.00 0.00 WT2 O ATOM 35180 H1 TIP3 8660 9.251 -3.678 -23.943 1.00 0.00 WT2 H ATOM 35181 H2 TIP3 8660 -7.732 -22.822 0.786 1.00 0.00 WT2 H ATOM 35182 OH2 TIP3 8662 4.500 0.498 -3.851 1.00 0.00 WT2 O ATOM 35183 H1 TIP3 8662 9.090 14.115 0.464 1.00 0.00 WT2 H ATOM 35184 H2 TIP3 8662 2.313 2.951 -15.109 1.00 0.00 WT2 H ATOM 35185 OH2 TIP3 8675 -4.043 -0.949 -3.540 1.00 0.00 WT2 O ATOM 35186 H1 TIP3 8675 -29.910 -6.160 -5.730 1.00 0.00 WT2 H ATOM 35187 H2 TIP3 8675 -12.378 28.157 -3.056 1.00 0.00 WT2 H ATOM 35188 OH2 TIP3 8676 1.034 -2.617 3.937 1.00 0.00 WT2 O ATOM 35189 H1 TIP3 8676 15.334 2.350 6.453 1.00 0.00 WT2 H ATOM 35190 H2 TIP3 8676 -13.865 -31.994 5.139 1.00 0.00 WT2 H ATOM 35191 OH2 TIP3 8677 -7.755 4.921 8.161 1.00 0.00 WT2 O ATOM 35192 H1 TIP3 8677 -7.899 1.127 10.886 1.00 0.00 WT2 H ATOM 35193 H2 TIP3 8677 -7.570 7.140 7.436 1.00 0.00 WT2 H ATOM 35194 OH2 TIP3 8678 -4.507 1.154 0.805 1.00 0.00 WT2 O ATOM 35195 H1 TIP3 8678 1.045 16.149 25.796 1.00 0.00 WT2 H ATOM 35196 H2 TIP3 8678 1.071 1.227 22.396 1.00 0.00 WT2 H ATOM 35197 OH2 TIP3 8679 0.824 4.194 -5.278 1.00 0.00 WT2 O ATOM 35198 H1 TIP3 8679 8.365 11.998 -15.234 1.00 0.00 WT2 H ATOM 35199 H2 TIP3 8679 -3.601 1.940 -1.643 1.00 0.00 WT2 H ATOM 35200 OH2 TIP3 8681 -0.829 6.660 1.093 1.00 0.00 WT2 O ATOM 35201 H1 TIP3 8681 5.833 -10.403 14.210 1.00 0.00 WT2 H ATOM 35202 H2 TIP3 8681 -3.205 8.815 -10.629 1.00 0.00 WT2 H ATOM 35203 OH2 TIP3 8682 -0.179 4.713 -0.455 1.00 0.00 WT2 O ATOM 35204 H1 TIP3 8682 6.146 13.540 -13.109 1.00 0.00 WT2 H ATOM 35205 H2 TIP3 8682 8.786 9.921 5.263 1.00 0.00 WT2 H ATOM 35206 OH2 TIP3 8683 4.491 -0.445 3.350 1.00 0.00 WT2 O ATOM 35207 H1 TIP3 8683 -5.373 2.157 9.447 1.00 0.00 WT2 H ATOM 35208 H2 TIP3 8683 0.656 -9.984 -0.760 1.00 0.00 WT2 H ATOM 35209 OH2 TIP3 8684 -7.641 0.592 1.487 1.00 0.00 WT2 O ATOM 35210 H1 TIP3 8684 -12.702 25.239 20.195 1.00 0.00 WT2 H ATOM 35211 H2 TIP3 8684 3.476 -1.242 -7.760 1.00 0.00 WT2 H ATOM 35212 OH2 TIP3 8691 -2.862 -3.786 -0.390 1.00 0.00 WT2 O ATOM 35213 H1 TIP3 8691 9.983 -5.072 -14.052 1.00 0.00 WT2 H ATOM 35214 H2 TIP3 8691 14.928 8.813 15.579 1.00 0.00 WT2 H ATOM 35215 OH2 TIP3 8694 -0.120 -1.616 -3.472 1.00 0.00 WT2 O ATOM 35216 H1 TIP3 8694 2.800 -6.300 -1.646 1.00 0.00 WT2 H ATOM 35217 H2 TIP3 8694 3.765 1.465 -11.386 1.00 0.00 WT2 H ATOM 35218 OH2 TIP3 8695 -2.623 2.368 -1.695 1.00 0.00 WT2 O ATOM 35219 H1 TIP3 8695 -21.252 -10.845 16.438 1.00 0.00 WT2 H ATOM 35220 H2 TIP3 8695 -11.439 -13.837 -3.982 1.00 0.00 WT2 H ATOM 35221 OH2 TIP3 8696 6.154 -5.440 -1.621 1.00 0.00 WT2 O ATOM 35222 H1 TIP3 8696 17.289 -6.362 4.267 1.00 0.00 WT2 H ATOM 35223 H2 TIP3 8696 9.637 -5.860 0.251 1.00 0.00 WT2 H ATOM 35224 OH2 TIP3 8697 -3.636 4.450 -2.028 1.00 0.00 WT2 O ATOM 35225 H1 TIP3 8697 -0.944 17.819 -13.118 1.00 0.00 WT2 H ATOM 35226 H2 TIP3 8697 0.906 15.555 7.964 1.00 0.00 WT2 H ATOM 35227 OH2 TIP3 8699 0.286 4.163 4.616 1.00 0.00 WT2 O ATOM 35228 H1 TIP3 8699 -1.628 3.931 -11.297 1.00 0.00 WT2 H ATOM 35229 H2 TIP3 8699 0.262 3.706 7.834 1.00 0.00 WT2 H ATOM 35230 OH2 TIP3 8700 -3.863 -4.103 -0.241 1.00 0.00 WT2 O ATOM 35231 H1 TIP3 8700 -4.931 -0.921 1.871 1.00 0.00 WT2 H ATOM 35232 H2 TIP3 8700 -4.494 8.431 6.661 1.00 0.00 WT2 H ATOM 35233 OH2 TIP3 8702 -6.913 -3.663 4.993 1.00 0.00 WT2 O ATOM 35234 H1 TIP3 8702 -10.762 -4.580 11.097 1.00 0.00 WT2 H ATOM 35235 H2 TIP3 8702 -4.312 -6.618 -2.751 1.00 0.00 WT2 H ATOM 35236 OH2 TIP3 8704 5.772 -5.694 -0.157 1.00 0.00 WT2 O ATOM 35237 H1 TIP3 8704 4.077 0.334 -11.927 1.00 0.00 WT2 H ATOM 35238 H2 TIP3 8704 -10.995 -0.721 -24.546 1.00 0.00 WT2 H ATOM 35239 OH2 TIP3 8715 -1.930 0.066 2.489 1.00 0.00 WT2 O ATOM 35240 H1 TIP3 8715 1.528 11.219 6.833 1.00 0.00 WT2 H ATOM 35241 H2 TIP3 8715 15.308 7.208 -6.951 1.00 0.00 WT2 H ATOM 35242 OH2 TIP3 8716 3.713 1.976 -2.180 1.00 0.00 WT2 O ATOM 35243 H1 TIP3 8716 12.648 -5.744 -3.337 1.00 0.00 WT2 H ATOM 35244 H2 TIP3 8716 2.974 -1.497 -6.010 1.00 0.00 WT2 H ATOM 35245 OH2 TIP3 8717 2.186 -11.409 -0.032 1.00 0.00 WT2 O ATOM 35246 H1 TIP3 8717 -1.763 -20.021 4.778 1.00 0.00 WT2 H ATOM 35247 H2 TIP3 8717 1.892 -11.216 2.964 1.00 0.00 WT2 H ATOM 35248 OH2 TIP3 8718 -0.687 -0.482 10.931 1.00 0.00 WT2 O ATOM 35249 H1 TIP3 8718 1.824 -14.222 -23.877 1.00 0.00 WT2 H ATOM 35250 H2 TIP3 8718 4.095 5.863 3.203 1.00 0.00 WT2 H ATOM 35251 OH2 TIP3 8720 1.473 5.219 -4.197 1.00 0.00 WT2 O ATOM 35252 H1 TIP3 8720 5.689 -0.096 3.054 1.00 0.00 WT2 H ATOM 35253 H2 TIP3 8720 -10.074 -13.651 8.271 1.00 0.00 WT2 H ATOM 35254 OH2 TIP3 8721 4.443 -1.049 -1.836 1.00 0.00 WT2 O ATOM 35255 H1 TIP3 8721 15.003 16.126 9.849 1.00 0.00 WT2 H ATOM 35256 H2 TIP3 8721 -16.787 -11.892 -10.720 1.00 0.00 WT2 H ATOM 35257 OH2 TIP3 8722 0.633 -7.274 0.339 1.00 0.00 WT2 O ATOM 35258 H1 TIP3 8722 -12.912 -8.950 3.771 1.00 0.00 WT2 H ATOM 35259 H2 TIP3 8722 1.602 -16.057 -3.640 1.00 0.00 WT2 H ATOM 35260 OH2 TIP3 8737 4.383 -7.127 -0.194 1.00 0.00 WT2 O ATOM 35261 H1 TIP3 8737 34.514 15.463 4.319 1.00 0.00 WT2 H ATOM 35262 H2 TIP3 8737 -12.268 -17.644 -10.986 1.00 0.00 WT2 H ATOM 35263 OH2 TIP3 8739 0.048 6.112 0.256 1.00 0.00 WT2 O ATOM 35264 H1 TIP3 8739 4.222 6.355 12.994 1.00 0.00 WT2 H ATOM 35265 H2 TIP3 8739 -3.874 3.685 5.316 1.00 0.00 WT2 H ATOM 35266 OH2 TIP3 8740 2.449 -5.499 -4.665 1.00 0.00 WT2 O ATOM 35267 H1 TIP3 8740 -20.786 -33.043 -18.026 1.00 0.00 WT2 H ATOM 35268 H2 TIP3 8740 -1.675 12.252 0.294 1.00 0.00 WT2 H ATOM 35269 OH2 TIP3 8741 6.843 0.134 1.953 1.00 0.00 WT2 O ATOM 35270 H1 TIP3 8741 6.807 -2.360 -8.606 1.00 0.00 WT2 H ATOM 35271 H2 TIP3 8741 11.596 0.099 -18.251 1.00 0.00 WT2 H ATOM 35272 OH2 TIP3 8742 2.899 1.363 -2.553 1.00 0.00 WT2 O ATOM 35273 H1 TIP3 8742 -4.497 -6.182 -4.548 1.00 0.00 WT2 H ATOM 35274 H2 TIP3 8742 3.365 0.215 -7.607 1.00 0.00 WT2 H ATOM 35275 OH2 TIP3 8743 5.404 -4.093 -0.028 1.00 0.00 WT2 O ATOM 35276 H1 TIP3 8743 7.118 -4.415 4.366 1.00 0.00 WT2 H ATOM 35277 H2 TIP3 8743 -10.884 -2.385 4.961 1.00 0.00 WT2 H ATOM 35278 OH2 TIP3 8744 6.225 -2.426 -2.669 1.00 0.00 WT2 O ATOM 35279 H1 TIP3 8744 0.730 -3.828 -1.497 1.00 0.00 WT2 H ATOM 35280 H2 TIP3 8744 11.373 -6.176 -6.233 1.00 0.00 WT2 H ATOM 35281 OH2 TIP3 8746 -1.110 -2.499 0.071 1.00 0.00 WT2 O ATOM 35282 H1 TIP3 8746 -3.528 10.595 34.393 1.00 0.00 WT2 H ATOM 35283 H2 TIP3 8746 -9.788 0.140 2.975 1.00 0.00 WT2 H ATOM 35284 OH2 TIP3 8754 -7.057 -0.261 0.793 1.00 0.00 WT2 O ATOM 35285 H1 TIP3 8754 -3.323 11.373 -18.503 1.00 0.00 WT2 H ATOM 35286 H2 TIP3 8754 3.162 20.767 17.115 1.00 0.00 WT2 H ATOM 35287 OH2 TIP3 8757 6.118 1.315 4.046 1.00 0.00 WT2 O ATOM 35288 H1 TIP3 8757 -1.762 10.021 5.436 1.00 0.00 WT2 H ATOM 35289 H2 TIP3 8757 8.892 1.258 2.928 1.00 0.00 WT2 H ATOM 35290 OH2 TIP3 8759 4.641 4.828 8.560 1.00 0.00 WT2 O ATOM 35291 H1 TIP3 8759 7.521 4.533 6.219 1.00 0.00 WT2 H ATOM 35292 H2 TIP3 8759 1.627 6.187 11.031 1.00 0.00 WT2 H ATOM 35293 OH2 TIP3 8760 1.881 -9.418 0.503 1.00 0.00 WT2 O ATOM 35294 H1 TIP3 8760 1.984 -24.254 27.082 1.00 0.00 WT2 H ATOM 35295 H2 TIP3 8760 -7.593 -0.660 -8.904 1.00 0.00 WT2 H ATOM 35296 OH2 TIP3 8761 1.198 1.236 1.671 1.00 0.00 WT2 O ATOM 35297 H1 TIP3 8761 -3.119 12.185 25.575 1.00 0.00 WT2 H ATOM 35298 H2 TIP3 8761 -32.298 4.174 -34.384 1.00 0.00 WT2 H ATOM 35299 OH2 TIP3 8763 -5.034 -1.933 3.099 1.00 0.00 WT2 O ATOM 35300 H1 TIP3 8763 9.896 -18.197 15.901 1.00 0.00 WT2 H ATOM 35301 H2 TIP3 8763 12.229 -8.051 -7.546 1.00 0.00 WT2 H ATOM 35302 OH2 TIP3 8764 6.647 -4.746 0.366 1.00 0.00 WT2 O ATOM 35303 H1 TIP3 8764 -6.779 15.569 23.048 1.00 0.00 WT2 H ATOM 35304 H2 TIP3 8764 0.226 7.488 -8.947 1.00 0.00 WT2 H ATOM 35305 OH2 TIP3 8767 -0.842 1.171 -2.296 1.00 0.00 WT2 O ATOM 35306 H1 TIP3 8767 -6.171 10.210 -15.613 1.00 0.00 WT2 H ATOM 35307 H2 TIP3 8767 -2.287 1.466 -3.518 1.00 0.00 WT2 H ATOM 35308 OH2 TIP3 8777 0.526 -2.551 3.742 1.00 0.00 WT2 O ATOM 35309 H1 TIP3 8777 21.585 -10.147 0.414 1.00 0.00 WT2 H ATOM 35310 H2 TIP3 8777 -6.023 -9.231 21.348 1.00 0.00 WT2 H ATOM 35311 OH2 TIP3 8778 2.000 0.163 4.501 1.00 0.00 WT2 O ATOM 35312 H1 TIP3 8778 -23.356 -15.767 12.303 1.00 0.00 WT2 H ATOM 35313 H2 TIP3 8778 -14.843 -13.374 -5.163 1.00 0.00 WT2 H ATOM 35314 OH2 TIP3 8780 -2.948 4.603 5.589 1.00 0.00 WT2 O ATOM 35315 H1 TIP3 8780 -3.835 -15.153 -11.410 1.00 0.00 WT2 H ATOM 35316 H2 TIP3 8780 0.933 23.569 21.353 1.00 0.00 WT2 H ATOM 35317 OH2 TIP3 8783 -3.195 4.196 -4.804 1.00 0.00 WT2 O ATOM 35318 H1 TIP3 8783 -1.203 3.244 6.332 1.00 0.00 WT2 H ATOM 35319 H2 TIP3 8783 23.378 -17.575 -0.149 1.00 0.00 WT2 H ATOM 35320 OH2 TIP3 8785 -0.435 2.950 -3.510 1.00 0.00 WT2 O ATOM 35321 H1 TIP3 8785 -5.858 3.588 0.533 1.00 0.00 WT2 H ATOM 35322 H2 TIP3 8785 -4.026 -2.255 -7.595 1.00 0.00 WT2 H ATOM 35323 OH2 TIP3 8786 2.473 -0.386 2.291 1.00 0.00 WT2 O ATOM 35324 H1 TIP3 8786 -13.913 2.060 5.472 1.00 0.00 WT2 H ATOM 35325 H2 TIP3 8786 -16.139 -19.758 11.015 1.00 0.00 WT2 H ATOM 35326 OH2 TIP3 8787 -5.522 3.682 0.777 1.00 0.00 WT2 O ATOM 35327 H1 TIP3 8787 -4.559 -0.320 1.896 1.00 0.00 WT2 H ATOM 35328 H2 TIP3 8787 -42.397 5.462 -6.641 1.00 0.00 WT2 H ATOM 35329 OH2 TIP3 8790 2.495 2.409 -3.367 1.00 0.00 WT2 O ATOM 35330 H1 TIP3 8790 -2.629 7.125 -17.747 1.00 0.00 WT2 H ATOM 35331 H2 TIP3 8790 -10.573 1.569 5.936 1.00 0.00 WT2 H ATOM 35332 OH2 TIP3 8797 5.948 4.275 2.120 1.00 0.00 WT2 O ATOM 35333 H1 TIP3 8797 3.691 7.211 -10.321 1.00 0.00 WT2 H ATOM 35334 H2 TIP3 8797 23.245 -3.944 -2.935 1.00 0.00 WT2 H ATOM 35335 OH2 TIP3 8800 -2.996 0.820 -0.578 1.00 0.00 WT2 O ATOM 35336 H1 TIP3 8800 2.691 1.515 3.630 1.00 0.00 WT2 H ATOM 35337 H2 TIP3 8800 -18.679 8.857 -5.813 1.00 0.00 WT2 H ATOM 35338 OH2 TIP3 8801 0.276 -0.801 2.594 1.00 0.00 WT2 O ATOM 35339 H1 TIP3 8801 3.712 10.129 24.347 1.00 0.00 WT2 H ATOM 35340 H2 TIP3 8801 4.590 -6.924 -40.330 1.00 0.00 WT2 H ATOM 35341 OH2 TIP3 8802 1.405 3.394 -9.783 1.00 0.00 WT2 O ATOM 35342 H1 TIP3 8802 2.672 3.328 -16.050 1.00 0.00 WT2 H ATOM 35343 H2 TIP3 8802 -1.202 -4.565 -8.606 1.00 0.00 WT2 H ATOM 35344 OH2 TIP3 8803 1.327 9.343 -2.199 1.00 0.00 WT2 O ATOM 35345 H1 TIP3 8803 6.089 -0.571 -15.010 1.00 0.00 WT2 H ATOM 35346 H2 TIP3 8803 9.552 0.385 11.499 1.00 0.00 WT2 H ATOM 35347 OH2 TIP3 8804 3.553 1.118 0.874 1.00 0.00 WT2 O ATOM 35348 H1 TIP3 8804 4.030 -0.660 13.089 1.00 0.00 WT2 H ATOM 35349 H2 TIP3 8804 2.584 -3.422 2.722 1.00 0.00 WT2 H ATOM 35350 OH2 TIP3 8806 3.242 -2.319 6.262 1.00 0.00 WT2 O ATOM 35351 H1 TIP3 8806 12.395 -17.469 2.450 1.00 0.00 WT2 H ATOM 35352 H2 TIP3 8806 8.448 -6.281 21.119 1.00 0.00 WT2 H ATOM 35353 OH2 TIP3 8808 -6.726 7.398 1.765 1.00 0.00 WT2 O ATOM 35354 H1 TIP3 8808 -5.421 1.200 5.199 1.00 0.00 WT2 H ATOM 35355 H2 TIP3 8808 -20.263 -4.761 0.564 1.00 0.00 WT2 H ATOM 35356 OH2 TIP3 8809 1.795 -2.574 -0.398 1.00 0.00 WT2 O ATOM 35357 H1 TIP3 8809 -4.028 -3.374 6.735 1.00 0.00 WT2 H ATOM 35358 H2 TIP3 8809 12.271 -3.035 -9.375 1.00 0.00 WT2 H ATOM 35359 OH2 TIP3 8811 1.297 5.949 3.388 1.00 0.00 WT2 O ATOM 35360 H1 TIP3 8811 -3.832 -4.357 4.902 1.00 0.00 WT2 H ATOM 35361 H2 TIP3 8811 11.280 32.326 3.141 1.00 0.00 WT2 H ATOM 35362 OH2 TIP3 8819 4.161 -0.549 0.201 1.00 0.00 WT2 O ATOM 35363 H1 TIP3 8819 -7.326 2.227 22.197 1.00 0.00 WT2 H ATOM 35364 H2 TIP3 8819 -1.907 -8.551 7.772 1.00 0.00 WT2 H ATOM 35365 OH2 TIP3 8820 4.792 1.113 0.976 1.00 0.00 WT2 O ATOM 35366 H1 TIP3 8820 -12.750 -1.182 4.627 1.00 0.00 WT2 H ATOM 35367 H2 TIP3 8820 19.192 -1.054 -22.620 1.00 0.00 WT2 H ATOM 35368 OH2 TIP3 8822 -2.174 -0.377 6.019 1.00 0.00 WT2 O ATOM 35369 H1 TIP3 8822 -12.800 -15.189 1.919 1.00 0.00 WT2 H ATOM 35370 H2 TIP3 8822 -11.711 15.179 8.717 1.00 0.00 WT2 H ATOM 35371 OH2 TIP3 8823 0.676 -0.222 -8.286 1.00 0.00 WT2 O ATOM 35372 H1 TIP3 8823 -18.076 17.172 -3.719 1.00 0.00 WT2 H ATOM 35373 H2 TIP3 8823 2.542 -14.178 14.940 1.00 0.00 WT2 H ATOM 35374 OH2 TIP3 8827 0.098 3.493 -10.680 1.00 0.00 WT2 O ATOM 35375 H1 TIP3 8827 11.529 -5.361 12.532 1.00 0.00 WT2 H ATOM 35376 H2 TIP3 8827 -17.125 2.129 -7.301 1.00 0.00 WT2 H ATOM 35377 OH2 TIP3 8829 1.389 0.717 8.731 1.00 0.00 WT2 O ATOM 35378 H1 TIP3 8829 0.611 0.552 11.716 1.00 0.00 WT2 H ATOM 35379 H2 TIP3 8829 9.438 -6.413 -6.567 1.00 0.00 WT2 H ATOM 35380 OH2 TIP3 8830 -1.388 -1.197 2.518 1.00 0.00 WT2 O ATOM 35381 H1 TIP3 8830 9.667 -8.369 7.931 1.00 0.00 WT2 H ATOM 35382 H2 TIP3 8830 16.370 -3.419 13.902 1.00 0.00 WT2 H ATOM 35383 OH2 TIP3 8842 -0.313 -0.427 3.784 1.00 0.00 WT2 O ATOM 35384 H1 TIP3 8842 0.471 14.395 -3.524 1.00 0.00 WT2 H ATOM 35385 H2 TIP3 8842 -0.714 1.191 2.897 1.00 0.00 WT2 H ATOM 35386 OH2 TIP3 8843 0.060 -2.254 -1.131 1.00 0.00 WT2 O ATOM 35387 H1 TIP3 8843 3.923 10.756 9.676 1.00 0.00 WT2 H ATOM 35388 H2 TIP3 8843 -3.205 -23.527 3.670 1.00 0.00 WT2 H ATOM 35389 OH2 TIP3 8844 -1.063 -2.864 3.724 1.00 0.00 WT2 O ATOM 35390 H1 TIP3 8844 -9.252 -3.091 -16.146 1.00 0.00 WT2 H ATOM 35391 H2 TIP3 8844 1.668 9.704 7.563 1.00 0.00 WT2 H ATOM 35392 OH2 TIP3 8845 -2.186 -0.374 4.775 1.00 0.00 WT2 O ATOM 35393 H1 TIP3 8845 -8.227 7.989 -9.378 1.00 0.00 WT2 H ATOM 35394 H2 TIP3 8845 -0.810 3.871 -8.563 1.00 0.00 WT2 H ATOM 35395 OH2 TIP3 8846 -3.029 -1.618 -1.293 1.00 0.00 WT2 O ATOM 35396 H1 TIP3 8846 -13.270 6.827 -6.343 1.00 0.00 WT2 H ATOM 35397 H2 TIP3 8846 0.680 -10.988 -11.733 1.00 0.00 WT2 H ATOM 35398 OH2 TIP3 8847 9.866 0.844 1.699 1.00 0.00 WT2 O ATOM 35399 H1 TIP3 8847 -3.287 -5.964 8.369 1.00 0.00 WT2 H ATOM 35400 H2 TIP3 8847 -1.599 32.519 1.038 1.00 0.00 WT2 H ATOM 35401 OH2 TIP3 8849 -1.294 1.499 1.864 1.00 0.00 WT2 O ATOM 35402 H1 TIP3 8849 -3.256 -0.011 2.087 1.00 0.00 WT2 H ATOM 35403 H2 TIP3 8849 5.653 -5.189 -4.210 1.00 0.00 WT2 H ATOM 35404 OH2 TIP3 8863 -5.490 3.506 0.606 1.00 0.00 WT2 O ATOM 35405 H1 TIP3 8863 0.027 -8.672 1.187 1.00 0.00 WT2 H ATOM 35406 H2 TIP3 8863 -10.509 17.301 -1.742 1.00 0.00 WT2 H ATOM 35407 OH2 TIP3 8865 5.557 6.765 -3.919 1.00 0.00 WT2 O ATOM 35408 H1 TIP3 8865 -2.496 19.189 8.931 1.00 0.00 WT2 H ATOM 35409 H2 TIP3 8865 14.130 -12.274 -21.904 1.00 0.00 WT2 H ATOM 35410 OH2 TIP3 8866 -2.677 -3.918 1.945 1.00 0.00 WT2 O ATOM 35411 H1 TIP3 8866 3.581 9.260 -6.912 1.00 0.00 WT2 H ATOM 35412 H2 TIP3 8866 -0.677 17.431 6.991 1.00 0.00 WT2 H ATOM 35413 OH2 TIP3 8867 -0.121 -2.905 3.399 1.00 0.00 WT2 O ATOM 35414 H1 TIP3 8867 3.291 -8.031 12.962 1.00 0.00 WT2 H ATOM 35415 H2 TIP3 8867 -4.605 2.496 -13.018 1.00 0.00 WT2 H ATOM 35416 OH2 TIP3 8868 2.902 -0.179 -0.581 1.00 0.00 WT2 O ATOM 35417 H1 TIP3 8868 11.426 -5.397 7.764 1.00 0.00 WT2 H ATOM 35418 H2 TIP3 8868 -0.392 -9.580 -6.068 1.00 0.00 WT2 H ATOM 35419 OH2 TIP3 8869 -4.686 -2.588 -1.718 1.00 0.00 WT2 O ATOM 35420 H1 TIP3 8869 12.270 18.406 16.968 1.00 0.00 WT2 H ATOM 35421 H2 TIP3 8869 -25.197 -4.787 -4.501 1.00 0.00 WT2 H ATOM 35422 OH2 TIP3 8883 -6.996 -1.887 0.355 1.00 0.00 WT2 O ATOM 35423 H1 TIP3 8883 -9.574 -11.358 11.503 1.00 0.00 WT2 H ATOM 35424 H2 TIP3 8883 -5.611 -0.126 6.834 1.00 0.00 WT2 H ATOM 35425 OH2 TIP3 8884 -5.141 2.247 -3.022 1.00 0.00 WT2 O ATOM 35426 H1 TIP3 8884 7.611 -1.779 -22.970 1.00 0.00 WT2 H ATOM 35427 H2 TIP3 8884 2.870 -0.541 -16.792 1.00 0.00 WT2 H ATOM 35428 OH2 TIP3 8885 6.391 3.037 -0.476 1.00 0.00 WT2 O ATOM 35429 H1 TIP3 8885 3.739 -2.018 -0.647 1.00 0.00 WT2 H ATOM 35430 H2 TIP3 8885 3.581 -2.721 -0.015 1.00 0.00 WT2 H ATOM 35431 OH2 TIP3 8886 -3.544 0.857 0.427 1.00 0.00 WT2 O ATOM 35432 H1 TIP3 8886 2.283 13.792 3.766 1.00 0.00 WT2 H ATOM 35433 H2 TIP3 8886 1.712 -8.208 10.370 1.00 0.00 WT2 H ATOM 35434 OH2 TIP3 8887 -1.048 4.254 -1.965 1.00 0.00 WT2 O ATOM 35435 H1 TIP3 8887 -6.547 2.307 -4.506 1.00 0.00 WT2 H ATOM 35436 H2 TIP3 8887 4.431 -7.243 -1.552 1.00 0.00 WT2 H ATOM 35437 OH2 TIP3 8889 0.651 -7.086 4.400 1.00 0.00 WT2 O ATOM 35438 H1 TIP3 8889 -0.421 -6.077 -5.147 1.00 0.00 WT2 H ATOM 35439 H2 TIP3 8889 5.297 -5.377 7.462 1.00 0.00 WT2 H ATOM 35440 OH2 TIP3 8890 0.333 -1.089 8.044 1.00 0.00 WT2 O ATOM 35441 H1 TIP3 8890 -5.959 -0.979 7.470 1.00 0.00 WT2 H ATOM 35442 H2 TIP3 8890 -10.485 -5.681 -1.729 1.00 0.00 WT2 H ATOM 35443 OH2 TIP3 8891 6.174 -1.606 0.072 1.00 0.00 WT2 O ATOM 35444 H1 TIP3 8891 13.598 -2.657 9.805 1.00 0.00 WT2 H ATOM 35445 H2 TIP3 8891 1.014 -11.869 -18.967 1.00 0.00 WT2 H ATOM 35446 OH2 TIP3 8901 3.891 -5.285 -3.066 1.00 0.00 WT2 O ATOM 35447 H1 TIP3 8901 28.377 3.241 -1.513 1.00 0.00 WT2 H ATOM 35448 H2 TIP3 8901 -9.798 -10.936 -3.682 1.00 0.00 WT2 H ATOM 35449 OH2 TIP3 8903 8.823 -0.039 0.260 1.00 0.00 WT2 O ATOM 35450 H1 TIP3 8903 10.069 -18.516 12.258 1.00 0.00 WT2 H ATOM 35451 H2 TIP3 8903 -0.525 23.625 5.056 1.00 0.00 WT2 H ATOM 35452 OH2 TIP3 8905 0.873 -1.076 -0.129 1.00 0.00 WT2 O ATOM 35453 H1 TIP3 8905 -0.234 -2.279 -2.403 1.00 0.00 WT2 H ATOM 35454 H2 TIP3 8905 0.323 4.472 1.323 1.00 0.00 WT2 H ATOM 35455 OH2 TIP3 8906 3.621 5.827 -2.225 1.00 0.00 WT2 O ATOM 35456 H1 TIP3 8906 0.664 -6.224 -11.080 1.00 0.00 WT2 H ATOM 35457 H2 TIP3 8906 -11.429 -9.363 -3.637 1.00 0.00 WT2 H ATOM 35458 OH2 TIP3 8907 -0.055 -2.819 0.747 1.00 0.00 WT2 O ATOM 35459 H1 TIP3 8907 10.052 -14.768 -0.270 1.00 0.00 WT2 H ATOM 35460 H2 TIP3 8907 -3.169 1.434 -12.301 1.00 0.00 WT2 H ATOM 35461 OH2 TIP3 8908 -1.559 9.561 3.677 1.00 0.00 WT2 O ATOM 35462 H1 TIP3 8908 11.687 -4.365 -0.600 1.00 0.00 WT2 H ATOM 35463 H2 TIP3 8908 6.848 0.640 -0.788 1.00 0.00 WT2 H ATOM 35464 OH2 TIP3 8909 3.253 -1.365 -3.529 1.00 0.00 WT2 O ATOM 35465 H1 TIP3 8909 0.614 18.204 11.712 1.00 0.00 WT2 H ATOM 35466 H2 TIP3 8909 26.332 -3.912 -0.469 1.00 0.00 WT2 H ATOM 35467 OH2 TIP3 8911 -8.001 0.890 11.386 1.00 0.00 WT2 O ATOM 35468 H1 TIP3 8911 -12.159 0.302 4.967 1.00 0.00 WT2 H ATOM 35469 H2 TIP3 8911 16.202 -13.645 15.180 1.00 0.00 WT2 H ATOM 35470 OH2 TIP3 8913 -1.899 -5.771 1.710 1.00 0.00 WT2 O ATOM 35471 H1 TIP3 8913 5.089 30.536 9.482 1.00 0.00 WT2 H ATOM 35472 H2 TIP3 8913 -3.784 -4.429 4.939 1.00 0.00 WT2 H ATOM 35473 OH2 TIP3 8914 -0.989 -4.092 2.705 1.00 0.00 WT2 O ATOM 35474 H1 TIP3 8914 4.005 19.444 13.459 1.00 0.00 WT2 H ATOM 35475 H2 TIP3 8914 -8.274 1.240 -22.111 1.00 0.00 WT2 H ATOM 35476 OH2 TIP3 8925 0.336 1.342 -2.655 1.00 0.00 WT2 O ATOM 35477 H1 TIP3 8925 15.836 -11.775 10.189 1.00 0.00 WT2 H ATOM 35478 H2 TIP3 8925 -7.612 -4.157 19.756 1.00 0.00 WT2 H ATOM 35479 OH2 TIP3 8926 -1.470 2.442 -3.459 1.00 0.00 WT2 O ATOM 35480 H1 TIP3 8926 -9.621 9.718 -2.016 1.00 0.00 WT2 H ATOM 35481 H2 TIP3 8926 7.701 0.113 4.708 1.00 0.00 WT2 H ATOM 35482 OH2 TIP3 8927 0.363 -1.157 -8.514 1.00 0.00 WT2 O ATOM 35483 H1 TIP3 8927 -3.412 2.081 -11.781 1.00 0.00 WT2 H ATOM 35484 H2 TIP3 8927 10.940 -5.340 -10.434 1.00 0.00 WT2 H ATOM 35485 OH2 TIP3 8929 0.843 -1.867 -2.448 1.00 0.00 WT2 O ATOM 35486 H1 TIP3 8929 -22.270 -27.288 -19.543 1.00 0.00 WT2 H ATOM 35487 H2 TIP3 8929 18.115 17.580 -28.439 1.00 0.00 WT2 H ATOM 35488 OH2 TIP3 8930 -1.909 2.001 1.505 1.00 0.00 WT2 O ATOM 35489 H1 TIP3 8930 -2.216 4.292 29.268 1.00 0.00 WT2 H ATOM 35490 H2 TIP3 8930 1.841 9.054 3.793 1.00 0.00 WT2 H ATOM 35491 OH2 TIP3 8931 6.891 -1.375 -0.205 1.00 0.00 WT2 O ATOM 35492 H1 TIP3 8931 4.896 5.587 -4.466 1.00 0.00 WT2 H ATOM 35493 H2 TIP3 8931 6.102 -6.107 -3.164 1.00 0.00 WT2 H ATOM 35494 OH2 TIP3 8932 -2.168 5.105 -4.726 1.00 0.00 WT2 O ATOM 35495 H1 TIP3 8932 -4.134 10.378 0.403 1.00 0.00 WT2 H ATOM 35496 H2 TIP3 8932 -14.601 19.729 8.146 1.00 0.00 WT2 H ATOM 35497 OH2 TIP3 8935 -0.426 -1.131 -0.124 1.00 0.00 WT2 O ATOM 35498 H1 TIP3 8935 14.582 4.364 -9.746 1.00 0.00 WT2 H ATOM 35499 H2 TIP3 8935 1.882 3.302 4.376 1.00 0.00 WT2 H ATOM 35500 OH2 TIP3 8944 6.056 -1.237 -6.315 1.00 0.00 WT2 O ATOM 35501 H1 TIP3 8944 -5.602 1.945 3.463 1.00 0.00 WT2 H ATOM 35502 H2 TIP3 8944 4.899 -12.173 1.563 1.00 0.00 WT2 H ATOM 35503 OH2 TIP3 8949 8.559 -2.522 0.009 1.00 0.00 WT2 O ATOM 35504 H1 TIP3 8949 -3.691 -1.899 -4.589 1.00 0.00 WT2 H ATOM 35505 H2 TIP3 8949 4.632 -1.830 -1.853 1.00 0.00 WT2 H ATOM 35506 OH2 TIP3 8950 0.763 0.763 -5.063 1.00 0.00 WT2 O ATOM 35507 H1 TIP3 8950 -3.292 -6.489 6.180 1.00 0.00 WT2 H ATOM 35508 H2 TIP3 8950 5.275 -11.578 -4.789 1.00 0.00 WT2 H ATOM 35509 OH2 TIP3 8951 -1.801 -0.465 -2.960 1.00 0.00 WT2 O ATOM 35510 H1 TIP3 8951 0.095 -2.565 -5.892 1.00 0.00 WT2 H ATOM 35511 H2 TIP3 8951 -12.963 11.273 17.590 1.00 0.00 WT2 H ATOM 35512 OH2 TIP3 8953 3.048 0.383 -1.007 1.00 0.00 WT2 O ATOM 35513 H1 TIP3 8953 19.328 3.836 -12.967 1.00 0.00 WT2 H ATOM 35514 H2 TIP3 8953 -4.645 -16.801 12.436 1.00 0.00 WT2 H ATOM 35515 OH2 TIP3 8954 -0.099 -7.345 -4.997 1.00 0.00 WT2 O ATOM 35516 H1 TIP3 8954 -3.668 -7.268 -1.864 1.00 0.00 WT2 H ATOM 35517 H2 TIP3 8954 -2.959 -3.838 -3.375 1.00 0.00 WT2 H ATOM 35518 OH2 TIP3 8967 -4.090 6.400 3.214 1.00 0.00 WT2 O ATOM 35519 H1 TIP3 8967 -12.044 12.064 -12.771 1.00 0.00 WT2 H ATOM 35520 H2 TIP3 8967 -10.799 17.307 -14.972 1.00 0.00 WT2 H ATOM 35521 OH2 TIP3 8969 4.715 0.137 -4.294 1.00 0.00 WT2 O ATOM 35522 H1 TIP3 8969 0.251 10.817 0.157 1.00 0.00 WT2 H ATOM 35523 H2 TIP3 8969 4.941 -2.398 -13.331 1.00 0.00 WT2 H ATOM 35524 OH2 TIP3 8970 0.875 6.996 -7.129 1.00 0.00 WT2 O ATOM 35525 H1 TIP3 8970 7.603 9.479 1.033 1.00 0.00 WT2 H ATOM 35526 H2 TIP3 8970 -2.076 -14.070 -4.800 1.00 0.00 WT2 H ATOM 35527 OH2 TIP3 8972 4.137 0.330 0.891 1.00 0.00 WT2 O ATOM 35528 H1 TIP3 8972 4.589 16.549 -6.602 1.00 0.00 WT2 H ATOM 35529 H2 TIP3 8972 -7.805 -16.000 -12.218 1.00 0.00 WT2 H ATOM 35530 OH2 TIP3 8973 -2.361 3.592 -2.623 1.00 0.00 WT2 O ATOM 35531 H1 TIP3 8973 1.649 -1.598 -3.241 1.00 0.00 WT2 H ATOM 35532 H2 TIP3 8973 2.366 -2.973 -3.405 1.00 0.00 WT2 H ATOM 35533 OH2 TIP3 8974 6.780 1.916 1.601 1.00 0.00 WT2 O ATOM 35534 H1 TIP3 8974 15.915 -2.285 -4.584 1.00 0.00 WT2 H ATOM 35535 H2 TIP3 8974 -0.407 3.144 11.598 1.00 0.00 WT2 H ATOM 35536 OH2 TIP3 8975 -1.385 -0.823 -5.109 1.00 0.00 WT2 O ATOM 35537 H1 TIP3 8975 0.670 1.615 1.810 1.00 0.00 WT2 H ATOM 35538 H2 TIP3 8975 0.217 4.880 -13.008 1.00 0.00 WT2 H ATOM 35539 OH2 TIP3 8976 -2.491 -5.010 4.916 1.00 0.00 WT2 O ATOM 35540 H1 TIP3 8976 -16.229 13.673 20.915 1.00 0.00 WT2 H ATOM 35541 H2 TIP3 8976 -18.931 43.008 6.195 1.00 0.00 WT2 H ATOM 35542 OH2 TIP3 8977 -4.418 4.722 3.299 1.00 0.00 WT2 O ATOM 35543 H1 TIP3 8977 21.898 -4.390 4.640 1.00 0.00 WT2 H ATOM 35544 H2 TIP3 8977 12.593 1.926 6.171 1.00 0.00 WT2 H ATOM 35545 OH2 TIP3 8978 2.518 -0.699 5.088 1.00 0.00 WT2 O ATOM 35546 H1 TIP3 8978 -1.264 -22.507 16.099 1.00 0.00 WT2 H ATOM 35547 H2 TIP3 8978 12.292 10.444 -8.002 1.00 0.00 WT2 H ATOM 35548 OH2 TIP3 8988 2.985 -2.389 -3.665 1.00 0.00 WT2 O ATOM 35549 H1 TIP3 8988 4.593 4.072 -2.773 1.00 0.00 WT2 H ATOM 35550 H2 TIP3 8988 3.494 -6.625 2.955 1.00 0.00 WT2 H ATOM 35551 OH2 TIP3 8990 -1.126 2.084 7.130 1.00 0.00 WT2 O ATOM 35552 H1 TIP3 8990 -5.108 17.029 -7.106 1.00 0.00 WT2 H ATOM 35553 H2 TIP3 8990 -4.117 24.327 -13.036 1.00 0.00 WT2 H ATOM 35554 OH2 TIP3 8991 1.225 2.750 -3.382 1.00 0.00 WT2 O ATOM 35555 H1 TIP3 8991 8.223 -10.907 0.833 1.00 0.00 WT2 H ATOM 35556 H2 TIP3 8991 0.397 4.074 -3.562 1.00 0.00 WT2 H ATOM 35557 OH2 TIP3 8992 -9.434 0.868 6.558 1.00 0.00 WT2 O ATOM 35558 H1 TIP3 8992 -9.299 -15.754 27.940 1.00 0.00 WT2 H ATOM 35559 H2 TIP3 8992 12.251 -9.174 -6.377 1.00 0.00 WT2 H ATOM 35560 OH2 TIP3 8995 0.857 -1.514 -7.947 1.00 0.00 WT2 O ATOM 35561 H1 TIP3 8995 -7.319 3.093 -11.902 1.00 0.00 WT2 H ATOM 35562 H2 TIP3 8995 6.957 8.124 9.624 1.00 0.00 WT2 H ATOM 35563 OH2 TIP3 8996 4.023 -5.200 0.253 1.00 0.00 WT2 O ATOM 35564 H1 TIP3 8996 17.698 -4.372 1.009 1.00 0.00 WT2 H ATOM 35565 H2 TIP3 8996 2.152 6.258 -3.822 1.00 0.00 WT2 H ATOM 35566 OH2 TIP3 8997 2.700 -3.183 2.767 1.00 0.00 WT2 O ATOM 35567 H1 TIP3 8997 10.685 14.387 10.925 1.00 0.00 WT2 H ATOM 35568 H2 TIP3 8997 2.259 -10.094 -1.785 1.00 0.00 WT2 H ATOM 35569 OH2 TIP3 8999 -1.289 4.370 -1.491 1.00 0.00 WT2 O ATOM 35570 H1 TIP3 8999 -6.313 -11.457 10.745 1.00 0.00 WT2 H ATOM 35571 H2 TIP3 8999 -2.359 -2.877 -6.354 1.00 0.00 WT2 H ATOM 35572 OH2 TIP3 9008 2.593 -0.565 3.936 1.00 0.00 WT2 O ATOM 35573 H1 TIP3 9008 2.609 -14.797 5.974 1.00 0.00 WT2 H ATOM 35574 H2 TIP3 9008 -1.365 12.433 0.301 1.00 0.00 WT2 H ATOM 35575 OH2 TIP3 9009 -2.548 5.234 2.225 1.00 0.00 WT2 O ATOM 35576 H1 TIP3 9009 4.958 22.492 26.386 1.00 0.00 WT2 H ATOM 35577 H2 TIP3 9009 -3.793 -22.002 6.917 1.00 0.00 WT2 H ATOM 35578 OH2 TIP3 9013 -4.584 -0.150 0.999 1.00 0.00 WT2 O ATOM 35579 H1 TIP3 9013 -7.154 7.542 4.686 1.00 0.00 WT2 H ATOM 35580 H2 TIP3 9013 -4.114 5.018 2.246 1.00 0.00 WT2 H ATOM 35581 OH2 TIP3 9014 1.305 3.390 5.567 1.00 0.00 WT2 O ATOM 35582 H1 TIP3 9014 17.367 -13.073 -25.137 1.00 0.00 WT2 H ATOM 35583 H2 TIP3 9014 -8.218 -25.684 28.301 1.00 0.00 WT2 H ATOM 35584 OH2 TIP3 9015 -5.113 -2.636 -1.300 1.00 0.00 WT2 O ATOM 35585 H1 TIP3 9015 -2.040 12.345 13.727 1.00 0.00 WT2 H ATOM 35586 H2 TIP3 9015 -3.383 0.712 -9.954 1.00 0.00 WT2 H ATOM 35587 OH2 TIP3 9016 7.015 -0.213 -1.168 1.00 0.00 WT2 O ATOM 35588 H1 TIP3 9016 -7.569 -4.636 11.044 1.00 0.00 WT2 H ATOM 35589 H2 TIP3 9016 4.790 -13.892 16.308 1.00 0.00 WT2 H ATOM 35590 OH2 TIP3 9019 -4.049 4.109 -6.184 1.00 0.00 WT2 O ATOM 35591 H1 TIP3 9019 8.116 3.786 -8.560 1.00 0.00 WT2 H ATOM 35592 H2 TIP3 9019 -27.062 -14.675 -16.003 1.00 0.00 WT2 H ATOM 35593 OH2 TIP3 9024 5.214 -4.537 -0.127 1.00 0.00 WT2 O ATOM 35594 H1 TIP3 9024 13.222 -6.936 -6.626 1.00 0.00 WT2 H ATOM 35595 H2 TIP3 9024 -0.305 -0.237 5.863 1.00 0.00 WT2 H ATOM 35596 OH2 TIP3 9031 2.523 3.970 1.961 1.00 0.00 WT2 O ATOM 35597 H1 TIP3 9031 4.444 6.076 0.113 1.00 0.00 WT2 H ATOM 35598 H2 TIP3 9031 6.339 5.183 2.728 1.00 0.00 WT2 H ATOM 35599 OH2 TIP3 9033 -3.009 3.077 5.895 1.00 0.00 WT2 O ATOM 35600 H1 TIP3 9033 -3.063 -13.742 2.222 1.00 0.00 WT2 H ATOM 35601 H2 TIP3 9033 -9.661 7.736 5.613 1.00 0.00 WT2 H ATOM 35602 OH2 TIP3 9034 1.640 -8.447 -5.672 1.00 0.00 WT2 O ATOM 35603 H1 TIP3 9034 -8.145 4.097 0.020 1.00 0.00 WT2 H ATOM 35604 H2 TIP3 9034 3.484 -9.659 -5.741 1.00 0.00 WT2 H ATOM 35605 OH2 TIP3 9035 7.647 2.736 6.160 1.00 0.00 WT2 O ATOM 35606 H1 TIP3 9035 2.006 -22.437 12.955 1.00 0.00 WT2 H ATOM 35607 H2 TIP3 9035 5.578 -5.002 -14.135 1.00 0.00 WT2 H ATOM 35608 OH2 TIP3 9036 8.625 4.379 -2.736 1.00 0.00 WT2 O ATOM 35609 H1 TIP3 9036 5.238 1.180 -0.919 1.00 0.00 WT2 H ATOM 35610 H2 TIP3 9036 3.563 14.936 -12.991 1.00 0.00 WT2 H ATOM 35611 OH2 TIP3 9039 10.544 6.762 2.035 1.00 0.00 WT2 O ATOM 35612 H1 TIP3 9039 23.484 2.875 9.772 1.00 0.00 WT2 H ATOM 35613 H2 TIP3 9039 10.473 -14.203 11.927 1.00 0.00 WT2 H ATOM 35614 OH2 TIP3 9047 -3.420 2.223 -5.483 1.00 0.00 WT2 O ATOM 35615 H1 TIP3 9047 -3.768 2.564 -4.806 1.00 0.00 WT2 H ATOM 35616 H2 TIP3 9047 -7.196 5.919 -9.240 1.00 0.00 WT2 H ATOM 35617 OH2 TIP3 9051 2.926 5.310 -1.219 1.00 0.00 WT2 O ATOM 35618 H1 TIP3 9051 1.404 11.336 9.868 1.00 0.00 WT2 H ATOM 35619 H2 TIP3 9051 1.698 -3.252 1.217 1.00 0.00 WT2 H ATOM 35620 OH2 TIP3 9052 -4.135 3.366 0.909 1.00 0.00 WT2 O ATOM 35621 H1 TIP3 9052 -5.120 2.373 2.422 1.00 0.00 WT2 H ATOM 35622 H2 TIP3 9052 -3.589 8.208 -1.272 1.00 0.00 WT2 H ATOM 35623 OH2 TIP3 9054 0.448 1.847 -0.204 1.00 0.00 WT2 O ATOM 35624 H1 TIP3 9054 -9.458 2.126 4.114 1.00 0.00 WT2 H ATOM 35625 H2 TIP3 9054 9.230 -5.515 -9.895 1.00 0.00 WT2 H ATOM 35626 OH2 TIP3 9055 1.894 3.020 -3.863 1.00 0.00 WT2 O ATOM 35627 H1 TIP3 9055 7.007 -2.932 -7.891 1.00 0.00 WT2 H ATOM 35628 H2 TIP3 9055 -5.204 4.144 -8.855 1.00 0.00 WT2 H ATOM 35629 OH2 TIP3 9058 2.605 -1.165 -2.248 1.00 0.00 WT2 O ATOM 35630 H1 TIP3 9058 -10.114 10.546 3.491 1.00 0.00 WT2 H ATOM 35631 H2 TIP3 9058 -0.069 -8.431 -21.643 1.00 0.00 WT2 H ATOM 35632 OH2 TIP3 9072 3.461 2.803 2.910 1.00 0.00 WT2 O ATOM 35633 H1 TIP3 9072 16.360 8.233 15.764 1.00 0.00 WT2 H ATOM 35634 H2 TIP3 9072 2.873 -23.229 11.007 1.00 0.00 WT2 H ATOM 35635 OH2 TIP3 9073 -3.677 -0.500 -2.061 1.00 0.00 WT2 O ATOM 35636 H1 TIP3 9073 5.677 13.523 7.539 1.00 0.00 WT2 H ATOM 35637 H2 TIP3 9073 -10.632 18.870 -10.760 1.00 0.00 WT2 H ATOM 35638 OH2 TIP3 9075 3.675 -2.845 0.670 1.00 0.00 WT2 O ATOM 35639 H1 TIP3 9075 -10.187 15.958 -5.797 1.00 0.00 WT2 H ATOM 35640 H2 TIP3 9075 -0.017 -3.430 -1.937 1.00 0.00 WT2 H ATOM 35641 OH2 TIP3 9078 5.964 -3.118 -1.685 1.00 0.00 WT2 O ATOM 35642 H1 TIP3 9078 -15.942 -6.144 22.820 1.00 0.00 WT2 H ATOM 35643 H2 TIP3 9078 29.158 -12.838 -0.746 1.00 0.00 WT2 H ATOM 35644 OH2 TIP3 9079 1.529 -1.647 3.079 1.00 0.00 WT2 O ATOM 35645 H1 TIP3 9079 -7.753 -5.746 -2.880 1.00 0.00 WT2 H ATOM 35646 H2 TIP3 9079 9.103 18.369 -15.020 1.00 0.00 WT2 H ATOM 35647 OH2 TIP3 9080 0.077 0.331 -1.325 1.00 0.00 WT2 O ATOM 35648 H1 TIP3 9080 17.653 6.817 13.295 1.00 0.00 WT2 H ATOM 35649 H2 TIP3 9080 -7.239 3.153 -15.108 1.00 0.00 WT2 H ATOM 35650 OH2 TIP3 9082 1.472 -0.194 3.173 1.00 0.00 WT2 O ATOM 35651 H1 TIP3 9082 -37.122 -23.451 47.148 1.00 0.00 WT2 H ATOM 35652 H2 TIP3 9082 -20.588 -6.763 -23.973 1.00 0.00 WT2 H ATOM 35653 OH2 TIP3 9092 -6.155 -6.439 -1.874 1.00 0.00 WT2 O ATOM 35654 H1 TIP3 9092 -16.182 -10.481 -6.553 1.00 0.00 WT2 H ATOM 35655 H2 TIP3 9092 -0.825 -4.904 -2.957 1.00 0.00 WT2 H ATOM 35656 OH2 TIP3 9093 -0.002 1.496 7.438 1.00 0.00 WT2 O ATOM 35657 H1 TIP3 9093 -1.801 11.922 2.582 1.00 0.00 WT2 H ATOM 35658 H2 TIP3 9093 9.872 -18.916 2.068 1.00 0.00 WT2 H ATOM 35659 OH2 TIP3 9094 1.494 0.067 3.370 1.00 0.00 WT2 O ATOM 35660 H1 TIP3 9094 -6.584 -8.467 -3.164 1.00 0.00 WT2 H ATOM 35661 H2 TIP3 9094 2.665 -1.634 4.929 1.00 0.00 WT2 H ATOM 35662 OH2 TIP3 9096 3.280 4.151 -4.117 1.00 0.00 WT2 O ATOM 35663 H1 TIP3 9096 -0.613 14.634 -8.745 1.00 0.00 WT2 H ATOM 35664 H2 TIP3 9096 -0.579 1.763 -4.544 1.00 0.00 WT2 H ATOM 35665 OH2 TIP3 9097 3.879 -2.139 -6.229 1.00 0.00 WT2 O ATOM 35666 H1 TIP3 9097 9.930 0.180 -6.624 1.00 0.00 WT2 H ATOM 35667 H2 TIP3 9097 13.119 -2.314 -1.458 1.00 0.00 WT2 H ATOM 35668 OH2 TIP3 9098 1.327 -1.446 0.424 1.00 0.00 WT2 O ATOM 35669 H1 TIP3 9098 -7.967 21.068 -15.662 1.00 0.00 WT2 H ATOM 35670 H2 TIP3 9098 -14.413 13.202 -14.658 1.00 0.00 WT2 H ATOM 35671 OH2 TIP3 9099 -2.660 2.339 -0.327 1.00 0.00 WT2 O ATOM 35672 H1 TIP3 9099 0.229 2.960 7.505 1.00 0.00 WT2 H ATOM 35673 H2 TIP3 9099 -10.239 -3.548 3.041 1.00 0.00 WT2 H ATOM 35674 OH2 TIP3 9100 -2.274 -2.545 -0.784 1.00 0.00 WT2 O ATOM 35675 H1 TIP3 9100 4.149 8.553 -2.195 1.00 0.00 WT2 H ATOM 35676 H2 TIP3 9100 -10.613 -8.376 -10.030 1.00 0.00 WT2 H ATOM 35677 OH2 TIP3 9103 3.447 -7.079 -5.914 1.00 0.00 WT2 O ATOM 35678 H1 TIP3 9103 2.129 10.580 -2.674 1.00 0.00 WT2 H ATOM 35679 H2 TIP3 9103 5.497 -11.970 12.230 1.00 0.00 WT2 H ATOM 35680 OH2 TIP3 9110 1.056 3.107 -0.756 1.00 0.00 WT2 O ATOM 35681 H1 TIP3 9110 23.789 18.423 -20.397 1.00 0.00 WT2 H ATOM 35682 H2 TIP3 9110 21.352 -1.442 -14.020 1.00 0.00 WT2 H ATOM 35683 OH2 TIP3 9116 0.346 -2.653 -1.545 1.00 0.00 WT2 O ATOM 35684 H1 TIP3 9116 -0.733 5.051 1.298 1.00 0.00 WT2 H ATOM 35685 H2 TIP3 9116 -1.832 -19.572 5.548 1.00 0.00 WT2 H ATOM 35686 OH2 TIP3 9117 -1.601 -3.742 -4.387 1.00 0.00 WT2 O ATOM 35687 H1 TIP3 9117 -1.622 -5.286 -2.995 1.00 0.00 WT2 H ATOM 35688 H2 TIP3 9117 -1.655 -5.380 -2.880 1.00 0.00 WT2 H ATOM 35689 OH2 TIP3 9120 -3.759 6.011 5.928 1.00 0.00 WT2 O ATOM 35690 H1 TIP3 9120 1.947 -2.691 7.644 1.00 0.00 WT2 H ATOM 35691 H2 TIP3 9120 -2.314 2.520 2.500 1.00 0.00 WT2 H ATOM 35692 OH2 TIP3 9122 -0.446 -3.185 -2.173 1.00 0.00 WT2 O ATOM 35693 H1 TIP3 9122 9.043 7.930 3.896 1.00 0.00 WT2 H ATOM 35694 H2 TIP3 9122 33.672 18.029 1.745 1.00 0.00 WT2 H ATOM 35695 OH2 TIP3 9123 -0.103 2.228 8.657 1.00 0.00 WT2 O ATOM 35696 H1 TIP3 9123 -26.677 -0.797 -5.251 1.00 0.00 WT2 H ATOM 35697 H2 TIP3 9123 2.544 -14.798 17.248 1.00 0.00 WT2 H ATOM 35698 OH2 TIP3 9124 -0.569 2.578 1.382 1.00 0.00 WT2 O ATOM 35699 H1 TIP3 9124 6.064 12.976 1.029 1.00 0.00 WT2 H ATOM 35700 H2 TIP3 9124 0.091 6.333 2.951 1.00 0.00 WT2 H ATOM 35701 OH2 TIP3 9136 8.641 -5.933 -2.115 1.00 0.00 WT2 O ATOM 35702 H1 TIP3 9136 -0.146 4.975 3.665 1.00 0.00 WT2 H ATOM 35703 H2 TIP3 9136 21.328 -8.533 -2.039 1.00 0.00 WT2 H ATOM 35704 OH2 TIP3 9138 2.041 -0.365 -4.049 1.00 0.00 WT2 O ATOM 35705 H1 TIP3 9138 22.892 -4.836 0.722 1.00 0.00 WT2 H ATOM 35706 H2 TIP3 9138 14.680 -20.659 4.734 1.00 0.00 WT2 H ATOM 35707 OH2 TIP3 9139 -4.043 4.974 -4.740 1.00 0.00 WT2 O ATOM 35708 H1 TIP3 9139 -18.815 -4.930 -5.309 1.00 0.00 WT2 H ATOM 35709 H2 TIP3 9139 -11.155 -35.066 -13.446 1.00 0.00 WT2 H ATOM 35710 OH2 TIP3 9140 -1.652 1.860 5.535 1.00 0.00 WT2 O ATOM 35711 H1 TIP3 9140 9.722 -8.561 -23.874 1.00 0.00 WT2 H ATOM 35712 H2 TIP3 9140 -32.243 15.168 -0.872 1.00 0.00 WT2 H ATOM 35713 OH2 TIP3 9144 4.095 -2.282 2.895 1.00 0.00 WT2 O ATOM 35714 H1 TIP3 9144 -3.194 5.675 29.809 1.00 0.00 WT2 H ATOM 35715 H2 TIP3 9144 -11.570 -26.674 -1.160 1.00 0.00 WT2 H ATOM 35716 OH2 TIP3 9145 1.326 -4.196 2.523 1.00 0.00 WT2 O ATOM 35717 H1 TIP3 9145 -9.821 -1.956 4.791 1.00 0.00 WT2 H ATOM 35718 H2 TIP3 9145 1.650 21.605 6.296 1.00 0.00 WT2 H ATOM 35719 OH2 TIP3 9157 1.317 -1.165 -5.074 1.00 0.00 WT2 O ATOM 35720 H1 TIP3 9157 10.947 -12.638 8.682 1.00 0.00 WT2 H ATOM 35721 H2 TIP3 9157 6.479 16.933 -4.861 1.00 0.00 WT2 H ATOM 35722 OH2 TIP3 9158 -2.121 2.619 1.042 1.00 0.00 WT2 O ATOM 35723 H1 TIP3 9158 -9.072 -7.068 -3.276 1.00 0.00 WT2 H ATOM 35724 H2 TIP3 9158 4.319 6.306 13.788 1.00 0.00 WT2 H ATOM 35725 OH2 TIP3 9159 -4.140 -5.269 3.313 1.00 0.00 WT2 O ATOM 35726 H1 TIP3 9159 5.146 -13.026 6.968 1.00 0.00 WT2 H ATOM 35727 H2 TIP3 9159 -2.601 -0.068 5.744 1.00 0.00 WT2 H ATOM 35728 OH2 TIP3 9160 -2.150 -6.237 4.634 1.00 0.00 WT2 O ATOM 35729 H1 TIP3 9160 -10.671 1.703 -2.454 1.00 0.00 WT2 H ATOM 35730 H2 TIP3 9160 16.363 -24.122 20.311 1.00 0.00 WT2 H ATOM 35731 OH2 TIP3 9161 1.415 4.826 0.565 1.00 0.00 WT2 O ATOM 35732 H1 TIP3 9161 0.647 2.219 0.128 1.00 0.00 WT2 H ATOM 35733 H2 TIP3 9161 -1.739 2.172 -0.502 1.00 0.00 WT2 H ATOM 35734 OH2 TIP3 9162 -0.158 -3.424 0.506 1.00 0.00 WT2 O ATOM 35735 H1 TIP3 9162 2.666 22.129 -18.170 1.00 0.00 WT2 H ATOM 35736 H2 TIP3 9162 0.843 -9.358 -19.887 1.00 0.00 WT2 H ATOM 35737 OH2 TIP3 9163 1.536 1.493 -0.507 1.00 0.00 WT2 O ATOM 35738 H1 TIP3 9163 1.388 -11.422 -4.983 1.00 0.00 WT2 H ATOM 35739 H2 TIP3 9163 -7.894 5.121 -0.771 1.00 0.00 WT2 H ATOM 35740 OH2 TIP3 9167 -1.519 1.876 -0.190 1.00 0.00 WT2 O ATOM 35741 H1 TIP3 9167 -0.511 -0.368 8.150 1.00 0.00 WT2 H ATOM 35742 H2 TIP3 9167 -8.589 5.946 -3.604 1.00 0.00 WT2 H ATOM 35743 OH2 TIP3 9170 -0.395 0.791 -0.488 1.00 0.00 WT2 O ATOM 35744 H1 TIP3 9170 1.001 -1.506 -3.356 1.00 0.00 WT2 H ATOM 35745 H2 TIP3 9170 4.151 -18.115 -0.428 1.00 0.00 WT2 H ATOM 35746 OH2 TIP3 9177 0.004 0.363 -2.397 1.00 0.00 WT2 O ATOM 35747 H1 TIP3 9177 1.817 -2.119 -0.788 1.00 0.00 WT2 H ATOM 35748 H2 TIP3 9177 -4.308 4.570 -8.223 1.00 0.00 WT2 H ATOM 35749 OH2 TIP3 9180 2.596 0.859 2.696 1.00 0.00 WT2 O ATOM 35750 H1 TIP3 9180 -3.898 -5.529 7.144 1.00 0.00 WT2 H ATOM 35751 H2 TIP3 9180 -9.332 -6.470 11.699 1.00 0.00 WT2 H ATOM 35752 OH2 TIP3 9181 4.955 0.896 -12.594 1.00 0.00 WT2 O ATOM 35753 H1 TIP3 9181 42.329 5.436 -3.832 1.00 0.00 WT2 H ATOM 35754 H2 TIP3 9181 4.405 -1.034 -11.280 1.00 0.00 WT2 H ATOM 35755 OH2 TIP3 9183 6.220 -3.243 -2.945 1.00 0.00 WT2 O ATOM 35756 H1 TIP3 9183 1.720 -4.427 -1.246 1.00 0.00 WT2 H ATOM 35757 H2 TIP3 9183 18.049 -2.744 -10.326 1.00 0.00 WT2 H ATOM 35758 OH2 TIP3 9184 4.560 -2.450 -2.823 1.00 0.00 WT2 O ATOM 35759 H1 TIP3 9184 4.478 1.655 -22.664 1.00 0.00 WT2 H ATOM 35760 H2 TIP3 9184 -4.332 -2.949 -8.020 1.00 0.00 WT2 H ATOM 35761 OH2 TIP3 9185 0.312 -4.591 -0.568 1.00 0.00 WT2 O ATOM 35762 H1 TIP3 9185 0.730 6.806 -2.277 1.00 0.00 WT2 H ATOM 35763 H2 TIP3 9185 0.375 -11.805 0.456 1.00 0.00 WT2 H ATOM 35764 OH2 TIP3 9186 -6.219 -5.195 -3.089 1.00 0.00 WT2 O ATOM 35765 H1 TIP3 9186 -1.312 1.961 9.107 1.00 0.00 WT2 H ATOM 35766 H2 TIP3 9186 -1.398 -14.031 9.452 1.00 0.00 WT2 H ATOM 35767 OH2 TIP3 9198 1.683 4.781 -2.206 1.00 0.00 WT2 O ATOM 35768 H1 TIP3 9198 0.135 -11.161 -9.732 1.00 0.00 WT2 H ATOM 35769 H2 TIP3 9198 1.040 4.646 -2.961 1.00 0.00 WT2 H ATOM 35770 OH2 TIP3 9200 -6.790 1.805 1.160 1.00 0.00 WT2 O ATOM 35771 H1 TIP3 9200 -19.462 41.132 -29.193 1.00 0.00 WT2 H ATOM 35772 H2 TIP3 9200 -3.702 -3.925 -2.754 1.00 0.00 WT2 H ATOM 35773 OH2 TIP3 9201 -2.413 -0.242 -2.599 1.00 0.00 WT2 O ATOM 35774 H1 TIP3 9201 -2.826 0.099 -3.079 1.00 0.00 WT2 H ATOM 35775 H2 TIP3 9201 3.076 0.169 -14.626 1.00 0.00 WT2 H ATOM 35776 OH2 TIP3 9202 -2.255 1.198 -2.660 1.00 0.00 WT2 O ATOM 35777 H1 TIP3 9202 6.997 -2.113 2.420 1.00 0.00 WT2 H ATOM 35778 H2 TIP3 9202 -3.021 13.341 -2.961 1.00 0.00 WT2 H ATOM 35779 OH2 TIP3 9203 2.270 2.964 1.261 1.00 0.00 WT2 O ATOM 35780 H1 TIP3 9203 15.168 -25.607 -20.003 1.00 0.00 WT2 H ATOM 35781 H2 TIP3 9203 7.548 6.460 3.430 1.00 0.00 WT2 H ATOM 35782 OH2 TIP3 9204 -1.411 1.338 -5.348 1.00 0.00 WT2 O ATOM 35783 H1 TIP3 9204 0.016 4.931 -9.439 1.00 0.00 WT2 H ATOM 35784 H2 TIP3 9204 -2.549 3.090 -6.012 1.00 0.00 WT2 H ATOM 35785 OH2 TIP3 9205 1.920 6.047 -1.156 1.00 0.00 WT2 O ATOM 35786 H1 TIP3 9205 10.018 12.826 4.123 1.00 0.00 WT2 H ATOM 35787 H2 TIP3 9205 -7.803 -1.078 -4.558 1.00 0.00 WT2 H ATOM 35788 OH2 TIP3 9219 -2.236 -1.072 -0.369 1.00 0.00 WT2 O ATOM 35789 H1 TIP3 9219 21.718 -6.454 -15.913 1.00 0.00 WT2 H ATOM 35790 H2 TIP3 9219 -7.909 -14.376 -28.635 1.00 0.00 WT2 H ATOM 35791 OH2 TIP3 9222 2.224 -2.613 4.910 1.00 0.00 WT2 O ATOM 35792 H1 TIP3 9222 -11.357 2.659 -13.005 1.00 0.00 WT2 H ATOM 35793 H2 TIP3 9222 -2.276 -4.176 3.441 1.00 0.00 WT2 H ATOM 35794 OH2 TIP3 9223 -3.333 1.866 -0.615 1.00 0.00 WT2 O ATOM 35795 H1 TIP3 9223 -15.642 20.146 -2.263 1.00 0.00 WT2 H ATOM 35796 H2 TIP3 9223 -17.194 34.537 10.731 1.00 0.00 WT2 H ATOM 35797 OH2 TIP3 9225 -5.781 -2.223 2.515 1.00 0.00 WT2 O ATOM 35798 H1 TIP3 9225 0.043 9.165 4.000 1.00 0.00 WT2 H ATOM 35799 H2 TIP3 9225 -27.217 -15.006 8.889 1.00 0.00 WT2 H ATOM 35800 OH2 TIP3 9226 -2.186 -1.710 -3.890 1.00 0.00 WT2 O ATOM 35801 H1 TIP3 9226 4.496 4.426 -14.966 1.00 0.00 WT2 H ATOM 35802 H2 TIP3 9226 0.526 2.995 -24.751 1.00 0.00 WT2 H ATOM 35803 OH2 TIP3 9227 -0.370 4.918 1.752 1.00 0.00 WT2 O ATOM 35804 H1 TIP3 9227 17.808 -10.920 -3.207 1.00 0.00 WT2 H ATOM 35805 H2 TIP3 9227 -21.546 14.843 -7.505 1.00 0.00 WT2 H ATOM 35806 OH2 TIP3 9228 -1.655 -6.288 -0.544 1.00 0.00 WT2 O ATOM 35807 H1 TIP3 9228 12.604 -3.748 19.610 1.00 0.00 WT2 H ATOM 35808 H2 TIP3 9228 5.857 -5.065 2.521 1.00 0.00 WT2 H ATOM 35809 OH2 TIP3 9241 1.523 0.203 2.706 1.00 0.00 WT2 O ATOM 35810 H1 TIP3 9241 12.918 10.395 -6.904 1.00 0.00 WT2 H ATOM 35811 H2 TIP3 9241 21.085 -18.454 10.839 1.00 0.00 WT2 H ATOM 35812 OH2 TIP3 9242 4.194 -2.640 -3.459 1.00 0.00 WT2 O ATOM 35813 H1 TIP3 9242 -1.919 -7.616 -0.218 1.00 0.00 WT2 H ATOM 35814 H2 TIP3 9242 11.991 -6.345 5.946 1.00 0.00 WT2 H ATOM 35815 OH2 TIP3 9243 -2.079 -1.918 -5.089 1.00 0.00 WT2 O ATOM 35816 H1 TIP3 9243 -17.284 2.308 1.476 1.00 0.00 WT2 H ATOM 35817 H2 TIP3 9243 -0.002 -15.845 -11.432 1.00 0.00 WT2 H ATOM 35818 OH2 TIP3 9244 0.365 0.047 4.093 1.00 0.00 WT2 O ATOM 35819 H1 TIP3 9244 6.171 15.606 -7.423 1.00 0.00 WT2 H ATOM 35820 H2 TIP3 9244 -22.054 8.519 -5.320 1.00 0.00 WT2 H ATOM 35821 OH2 TIP3 9245 -0.303 0.433 5.749 1.00 0.00 WT2 O ATOM 35822 H1 TIP3 9245 -5.487 -1.601 -9.485 1.00 0.00 WT2 H ATOM 35823 H2 TIP3 9245 -10.275 -20.668 -2.588 1.00 0.00 WT2 H ATOM 35824 OH2 TIP3 9246 1.870 1.622 -2.659 1.00 0.00 WT2 O ATOM 35825 H1 TIP3 9246 3.288 -2.817 14.050 1.00 0.00 WT2 H ATOM 35826 H2 TIP3 9246 4.420 -0.781 8.175 1.00 0.00 WT2 H ATOM 35827 OH2 TIP3 9247 -0.197 -5.424 1.822 1.00 0.00 WT2 O ATOM 35828 H1 TIP3 9247 4.991 -5.423 -2.298 1.00 0.00 WT2 H ATOM 35829 H2 TIP3 9247 10.203 -5.111 11.234 1.00 0.00 WT2 H ATOM 35830 OH2 TIP3 9250 -5.605 -4.544 -2.534 1.00 0.00 WT2 O ATOM 35831 H1 TIP3 9250 -10.073 8.582 -10.506 1.00 0.00 WT2 H ATOM 35832 H2 TIP3 9250 25.813 -14.785 -0.914 1.00 0.00 WT2 H ATOM 35833 OH2 TIP3 9259 2.127 -0.767 -2.764 1.00 0.00 WT2 O ATOM 35834 H1 TIP3 9259 12.876 2.423 -2.900 1.00 0.00 WT2 H ATOM 35835 H2 TIP3 9259 9.590 -1.244 -0.912 1.00 0.00 WT2 H ATOM 35836 OH2 TIP3 9261 1.689 -3.129 -2.121 1.00 0.00 WT2 O ATOM 35837 H1 TIP3 9261 6.413 -17.819 27.637 1.00 0.00 WT2 H ATOM 35838 H2 TIP3 9261 12.425 22.130 9.583 1.00 0.00 WT2 H ATOM 35839 OH2 TIP3 4 -6.372 4.034 6.581 1.00 0.00 WT3 O ATOM 35840 H1 TIP3 4 -11.553 37.875 -11.900 1.00 0.00 WT3 H ATOM 35841 H2 TIP3 4 -13.744 -11.746 -3.737 1.00 0.00 WT3 H ATOM 35842 OH2 TIP3 5 0.667 -5.766 2.697 1.00 0.00 WT3 O ATOM 35843 H1 TIP3 5 -12.803 -3.354 11.883 1.00 0.00 WT3 H ATOM 35844 H2 TIP3 5 15.487 -17.714 4.683 1.00 0.00 WT3 H ATOM 35845 OH2 TIP3 6 0.813 1.501 -1.963 1.00 0.00 WT3 O ATOM 35846 H1 TIP3 6 -5.210 -2.645 -2.230 1.00 0.00 WT3 H ATOM 35847 H2 TIP3 6 3.739 0.380 -7.060 1.00 0.00 WT3 H ATOM 35848 OH2 TIP3 7 -0.964 -1.029 -2.434 1.00 0.00 WT3 O ATOM 35849 H1 TIP3 7 -7.247 -2.024 11.061 1.00 0.00 WT3 H ATOM 35850 H2 TIP3 7 -4.599 4.250 -15.202 1.00 0.00 WT3 H ATOM 35851 OH2 TIP3 8 6.183 5.162 -3.800 1.00 0.00 WT3 O ATOM 35852 H1 TIP3 8 10.623 0.448 2.965 1.00 0.00 WT3 H ATOM 35853 H2 TIP3 8 10.224 2.116 -3.092 1.00 0.00 WT3 H ATOM 35854 OH2 TIP3 10 1.455 -0.862 1.309 1.00 0.00 WT3 O ATOM 35855 H1 TIP3 10 19.997 7.746 6.983 1.00 0.00 WT3 H ATOM 35856 H2 TIP3 10 1.640 -8.093 13.505 1.00 0.00 WT3 H ATOM 35857 OH2 TIP3 11 4.380 -3.683 3.027 1.00 0.00 WT3 O ATOM 35858 H1 TIP3 11 12.360 -14.316 0.775 1.00 0.00 WT3 H ATOM 35859 H2 TIP3 11 -7.687 -8.156 -2.070 1.00 0.00 WT3 H ATOM 35860 OH2 TIP3 12 -2.203 -4.333 1.266 1.00 0.00 WT3 O ATOM 35861 H1 TIP3 12 -2.224 -2.799 -2.775 1.00 0.00 WT3 H ATOM 35862 H2 TIP3 12 4.171 -8.777 1.284 1.00 0.00 WT3 H ATOM 35863 OH2 TIP3 13 -1.015 0.972 1.532 1.00 0.00 WT3 O ATOM 35864 H1 TIP3 13 17.971 -4.728 3.980 1.00 0.00 WT3 H ATOM 35865 H2 TIP3 13 -0.341 -3.803 -14.989 1.00 0.00 WT3 H ATOM 35866 OH2 TIP3 15 -8.840 -2.422 2.635 1.00 0.00 WT3 O ATOM 35867 H1 TIP3 15 2.519 2.901 5.745 1.00 0.00 WT3 H ATOM 35868 H2 TIP3 15 -14.032 -5.298 -20.150 1.00 0.00 WT3 H ATOM 35869 OH2 TIP3 16 1.956 -0.523 -1.759 1.00 0.00 WT3 O ATOM 35870 H1 TIP3 16 -0.879 2.854 1.071 1.00 0.00 WT3 H ATOM 35871 H2 TIP3 16 -2.394 7.006 7.683 1.00 0.00 WT3 H ATOM 35872 OH2 TIP3 17 -3.812 -1.423 2.220 1.00 0.00 WT3 O ATOM 35873 H1 TIP3 17 15.941 -4.574 -27.841 1.00 0.00 WT3 H ATOM 35874 H2 TIP3 17 5.203 -9.106 -21.581 1.00 0.00 WT3 H ATOM 35875 OH2 TIP3 18 -10.175 -8.161 -4.787 1.00 0.00 WT3 O ATOM 35876 H1 TIP3 18 -16.717 -7.530 2.961 1.00 0.00 WT3 H ATOM 35877 H2 TIP3 18 0.089 -9.575 1.392 1.00 0.00 WT3 H ATOM 35878 OH2 TIP3 19 6.602 4.010 -2.614 1.00 0.00 WT3 O ATOM 35879 H1 TIP3 19 -2.727 -5.404 6.448 1.00 0.00 WT3 H ATOM 35880 H2 TIP3 19 16.890 -8.084 -18.377 1.00 0.00 WT3 H ATOM 35881 OH2 TIP3 20 4.054 -3.931 6.660 1.00 0.00 WT3 O ATOM 35882 H1 TIP3 20 1.759 -3.721 9.294 1.00 0.00 WT3 H ATOM 35883 H2 TIP3 20 3.296 -5.049 4.317 1.00 0.00 WT3 H ATOM 35884 OH2 TIP3 21 -3.802 4.614 -5.944 1.00 0.00 WT3 O ATOM 35885 H1 TIP3 21 -7.835 41.843 -7.076 1.00 0.00 WT3 H ATOM 35886 H2 TIP3 21 -3.039 -9.967 -7.311 1.00 0.00 WT3 H ATOM 35887 OH2 TIP3 22 -3.751 -6.222 2.733 1.00 0.00 WT3 O ATOM 35888 H1 TIP3 22 -8.276 -8.949 -7.308 1.00 0.00 WT3 H ATOM 35889 H2 TIP3 22 4.989 9.632 -11.360 1.00 0.00 WT3 H ATOM 35890 OH2 TIP3 23 -2.057 4.418 2.290 1.00 0.00 WT3 O ATOM 35891 H1 TIP3 23 -2.577 9.242 1.710 1.00 0.00 WT3 H ATOM 35892 H2 TIP3 23 -3.229 -5.697 7.668 1.00 0.00 WT3 H ATOM 35893 OH2 TIP3 24 0.043 -2.526 4.543 1.00 0.00 WT3 O ATOM 35894 H1 TIP3 24 8.580 2.919 6.225 1.00 0.00 WT3 H ATOM 35895 H2 TIP3 24 15.334 6.280 17.029 1.00 0.00 WT3 H ATOM 35896 OH2 TIP3 25 2.122 -5.753 -6.635 1.00 0.00 WT3 O ATOM 35897 H1 TIP3 25 -0.939 -1.089 -14.539 1.00 0.00 WT3 H ATOM 35898 H2 TIP3 25 4.150 -6.119 -6.648 1.00 0.00 WT3 H ATOM 35899 OH2 TIP3 26 1.508 -2.245 -0.586 1.00 0.00 WT3 O ATOM 35900 H1 TIP3 26 13.262 -1.584 -15.367 1.00 0.00 WT3 H ATOM 35901 H2 TIP3 26 -1.374 -10.755 -0.918 1.00 0.00 WT3 H ATOM 35902 OH2 TIP3 27 3.637 2.609 -6.370 1.00 0.00 WT3 O ATOM 35903 H1 TIP3 27 -10.168 18.675 -5.691 1.00 0.00 WT3 H ATOM 35904 H2 TIP3 27 -11.842 -5.696 35.914 1.00 0.00 WT3 H ATOM 35905 OH2 TIP3 29 2.937 2.687 -5.081 1.00 0.00 WT3 O ATOM 35906 H1 TIP3 29 -4.214 0.243 -8.972 1.00 0.00 WT3 H ATOM 35907 H2 TIP3 29 1.600 5.489 -10.200 1.00 0.00 WT3 H ATOM 35908 OH2 TIP3 30 3.158 1.941 -2.291 1.00 0.00 WT3 O ATOM 35909 H1 TIP3 30 -23.860 -16.312 2.710 1.00 0.00 WT3 H ATOM 35910 H2 TIP3 30 0.251 18.049 14.977 1.00 0.00 WT3 H ATOM 35911 OH2 TIP3 31 -3.153 4.640 4.862 1.00 0.00 WT3 O ATOM 35912 H1 TIP3 31 6.790 -8.959 12.570 1.00 0.00 WT3 H ATOM 35913 H2 TIP3 31 19.420 -14.377 8.577 1.00 0.00 WT3 H ATOM 35914 OH2 TIP3 32 1.236 -2.861 -4.814 1.00 0.00 WT3 O ATOM 35915 H1 TIP3 32 5.077 -25.134 -8.538 1.00 0.00 WT3 H ATOM 35916 H2 TIP3 32 -6.857 5.073 4.487 1.00 0.00 WT3 H ATOM 35917 OH2 TIP3 33 0.384 -2.030 -0.609 1.00 0.00 WT3 O ATOM 35918 H1 TIP3 33 -19.014 10.270 18.091 1.00 0.00 WT3 H ATOM 35919 H2 TIP3 33 -1.593 17.224 -13.997 1.00 0.00 WT3 H ATOM 35920 OH2 TIP3 34 -6.156 -0.174 -1.063 1.00 0.00 WT3 O ATOM 35921 H1 TIP3 34 -3.009 -13.492 22.542 1.00 0.00 WT3 H ATOM 35922 H2 TIP3 34 -4.517 15.457 -14.219 1.00 0.00 WT3 H ATOM 35923 OH2 TIP3 35 0.167 -2.807 6.868 1.00 0.00 WT3 O ATOM 35924 H1 TIP3 35 13.751 14.528 -19.512 1.00 0.00 WT3 H ATOM 35925 H2 TIP3 35 15.167 -5.584 -5.171 1.00 0.00 WT3 H ATOM 35926 OH2 TIP3 37 -2.332 -4.998 -0.575 1.00 0.00 WT3 O ATOM 35927 H1 TIP3 37 5.990 8.469 -9.484 1.00 0.00 WT3 H ATOM 35928 H2 TIP3 37 -7.172 -18.481 -29.303 1.00 0.00 WT3 H ATOM 35929 OH2 TIP3 39 -2.640 4.283 -0.500 1.00 0.00 WT3 O ATOM 35930 H1 TIP3 39 -11.104 10.131 11.889 1.00 0.00 WT3 H ATOM 35931 H2 TIP3 39 13.632 -5.276 -1.366 1.00 0.00 WT3 H ATOM 35932 OH2 TIP3 41 5.375 -3.309 4.405 1.00 0.00 WT3 O ATOM 35933 H1 TIP3 41 4.917 -15.733 8.502 1.00 0.00 WT3 H ATOM 35934 H2 TIP3 41 0.701 -17.460 -2.466 1.00 0.00 WT3 H ATOM 35935 OH2 TIP3 42 7.035 -2.145 -7.972 1.00 0.00 WT3 O ATOM 35936 H1 TIP3 42 7.471 -12.759 -30.701 1.00 0.00 WT3 H ATOM 35937 H2 TIP3 42 -2.542 -8.898 -4.922 1.00 0.00 WT3 H ATOM 35938 OH2 TIP3 43 -1.484 -5.312 -1.297 1.00 0.00 WT3 O ATOM 35939 H1 TIP3 43 -0.405 -8.619 -8.182 1.00 0.00 WT3 H ATOM 35940 H2 TIP3 43 -1.431 -5.423 -3.578 1.00 0.00 WT3 H ATOM 35941 OH2 TIP3 44 -2.228 4.547 -5.107 1.00 0.00 WT3 O ATOM 35942 H1 TIP3 44 -0.690 -2.933 -21.394 1.00 0.00 WT3 H ATOM 35943 H2 TIP3 44 -6.160 23.145 -2.020 1.00 0.00 WT3 H ATOM 35944 OH2 TIP3 45 -0.968 -0.127 1.015 1.00 0.00 WT3 O ATOM 35945 H1 TIP3 45 0.197 2.041 4.208 1.00 0.00 WT3 H ATOM 35946 H2 TIP3 45 -4.031 1.025 -0.275 1.00 0.00 WT3 H ATOM 35947 OH2 TIP3 46 -1.671 1.895 -0.023 1.00 0.00 WT3 O ATOM 35948 H1 TIP3 46 -6.181 4.026 2.014 1.00 0.00 WT3 H ATOM 35949 H2 TIP3 46 3.931 -4.525 -9.497 1.00 0.00 WT3 H ATOM 35950 OH2 TIP3 47 -0.468 -0.239 0.068 1.00 0.00 WT3 O ATOM 35951 H1 TIP3 47 -10.376 -2.609 25.620 1.00 0.00 WT3 H ATOM 35952 H2 TIP3 47 4.538 -0.519 -18.985 1.00 0.00 WT3 H ATOM 35953 OH2 TIP3 48 2.570 3.726 -3.085 1.00 0.00 WT3 O ATOM 35954 H1 TIP3 48 -1.777 1.925 -5.973 1.00 0.00 WT3 H ATOM 35955 H2 TIP3 48 9.733 10.863 16.164 1.00 0.00 WT3 H ATOM 35956 OH2 TIP3 50 3.078 4.172 -3.197 1.00 0.00 WT3 O ATOM 35957 H1 TIP3 50 -5.903 16.412 -21.820 1.00 0.00 WT3 H ATOM 35958 H2 TIP3 50 3.554 3.453 -3.181 1.00 0.00 WT3 H ATOM 35959 OH2 TIP3 52 -0.189 -11.095 1.423 1.00 0.00 WT3 O ATOM 35960 H1 TIP3 52 -8.398 -7.248 2.234 1.00 0.00 WT3 H ATOM 35961 H2 TIP3 52 -5.986 -9.633 9.176 1.00 0.00 WT3 H ATOM 35962 OH2 TIP3 53 5.244 -3.263 4.992 1.00 0.00 WT3 O ATOM 35963 H1 TIP3 53 14.587 15.441 1.573 1.00 0.00 WT3 H ATOM 35964 H2 TIP3 53 2.552 -8.205 5.380 1.00 0.00 WT3 H ATOM 35965 OH2 TIP3 55 -5.867 -2.186 -3.222 1.00 0.00 WT3 O ATOM 35966 H1 TIP3 55 1.657 -8.066 0.731 1.00 0.00 WT3 H ATOM 35967 H2 TIP3 55 -7.559 -1.080 -17.255 1.00 0.00 WT3 H ATOM 35968 OH2 TIP3 56 1.669 -4.218 1.748 1.00 0.00 WT3 O ATOM 35969 H1 TIP3 56 -7.945 -6.128 -9.083 1.00 0.00 WT3 H ATOM 35970 H2 TIP3 56 1.906 -4.656 -1.132 1.00 0.00 WT3 H ATOM 35971 OH2 TIP3 58 1.581 8.294 -5.004 1.00 0.00 WT3 O ATOM 35972 H1 TIP3 58 1.056 -21.265 -12.339 1.00 0.00 WT3 H ATOM 35973 H2 TIP3 58 4.488 29.950 4.737 1.00 0.00 WT3 H ATOM 35974 OH2 TIP3 59 7.695 9.093 -0.276 1.00 0.00 WT3 O ATOM 35975 H1 TIP3 59 5.198 27.190 -9.422 1.00 0.00 WT3 H ATOM 35976 H2 TIP3 59 10.849 17.296 6.332 1.00 0.00 WT3 H ATOM 35977 OH2 TIP3 60 -1.109 -1.412 2.447 1.00 0.00 WT3 O ATOM 35978 H1 TIP3 60 -0.191 -7.108 2.464 1.00 0.00 WT3 H ATOM 35979 H2 TIP3 60 -1.459 -1.567 -0.132 1.00 0.00 WT3 H ATOM 35980 OH2 TIP3 61 -0.744 5.089 1.075 1.00 0.00 WT3 O ATOM 35981 H1 TIP3 61 18.661 21.501 -8.124 1.00 0.00 WT3 H ATOM 35982 H2 TIP3 61 0.871 0.422 -3.038 1.00 0.00 WT3 H ATOM 35983 OH2 TIP3 62 -2.224 -3.585 1.058 1.00 0.00 WT3 O ATOM 35984 H1 TIP3 62 8.105 19.790 -10.695 1.00 0.00 WT3 H ATOM 35985 H2 TIP3 62 -16.841 -23.010 10.085 1.00 0.00 WT3 H ATOM 35986 OH2 TIP3 63 4.052 3.577 -2.950 1.00 0.00 WT3 O ATOM 35987 H1 TIP3 63 4.905 12.725 -6.502 1.00 0.00 WT3 H ATOM 35988 H2 TIP3 63 9.722 20.917 2.584 1.00 0.00 WT3 H ATOM 35989 OH2 TIP3 64 -0.491 4.552 -1.747 1.00 0.00 WT3 O ATOM 35990 H1 TIP3 64 14.329 13.985 -17.145 1.00 0.00 WT3 H ATOM 35991 H2 TIP3 64 -3.935 -18.994 -8.179 1.00 0.00 WT3 H ATOM 35992 OH2 TIP3 66 1.508 2.109 2.382 1.00 0.00 WT3 O ATOM 35993 H1 TIP3 66 4.193 5.661 0.241 1.00 0.00 WT3 H ATOM 35994 H2 TIP3 66 -0.828 -0.334 3.506 1.00 0.00 WT3 H ATOM 35995 OH2 TIP3 67 5.863 3.227 -0.085 1.00 0.00 WT3 O ATOM 35996 H1 TIP3 67 13.673 2.716 -8.187 1.00 0.00 WT3 H ATOM 35997 H2 TIP3 67 -4.570 14.935 -0.443 1.00 0.00 WT3 H ATOM 35998 OH2 TIP3 68 -0.963 0.910 -0.366 1.00 0.00 WT3 O ATOM 35999 H1 TIP3 68 10.578 21.813 -10.631 1.00 0.00 WT3 H ATOM 36000 H2 TIP3 68 4.737 10.476 -4.532 1.00 0.00 WT3 H ATOM 36001 OH2 TIP3 69 1.250 4.474 2.341 1.00 0.00 WT3 O ATOM 36002 H1 TIP3 69 2.259 -0.797 1.514 1.00 0.00 WT3 H ATOM 36003 H2 TIP3 69 18.904 5.029 11.012 1.00 0.00 WT3 H ATOM 36004 OH2 TIP3 70 -2.130 2.393 -7.077 1.00 0.00 WT3 O ATOM 36005 H1 TIP3 70 33.484 19.182 16.780 1.00 0.00 WT3 H ATOM 36006 H2 TIP3 70 12.493 -29.090 9.869 1.00 0.00 WT3 H ATOM 36007 OH2 TIP3 71 2.226 4.304 -0.644 1.00 0.00 WT3 O ATOM 36008 H1 TIP3 71 4.336 1.937 -16.813 1.00 0.00 WT3 H ATOM 36009 H2 TIP3 71 8.088 17.343 10.335 1.00 0.00 WT3 H ATOM 36010 OH2 TIP3 72 -6.787 -0.289 2.613 1.00 0.00 WT3 O ATOM 36011 H1 TIP3 72 -17.006 -6.940 14.010 1.00 0.00 WT3 H ATOM 36012 H2 TIP3 72 -14.440 6.119 -1.875 1.00 0.00 WT3 H ATOM 36013 OH2 TIP3 74 -2.837 -2.559 -10.094 1.00 0.00 WT3 O ATOM 36014 H1 TIP3 74 -8.448 -5.776 -4.145 1.00 0.00 WT3 H ATOM 36015 H2 TIP3 74 -16.237 -2.959 11.011 1.00 0.00 WT3 H ATOM 36016 OH2 TIP3 75 0.001 -5.492 0.688 1.00 0.00 WT3 O ATOM 36017 H1 TIP3 75 -0.544 -5.431 -3.254 1.00 0.00 WT3 H ATOM 36018 H2 TIP3 75 18.664 -6.721 -1.332 1.00 0.00 WT3 H ATOM 36019 OH2 TIP3 76 -1.573 -4.866 -5.298 1.00 0.00 WT3 O ATOM 36020 H1 TIP3 76 -6.705 -2.750 12.926 1.00 0.00 WT3 H ATOM 36021 H2 TIP3 76 -6.893 -1.719 5.664 1.00 0.00 WT3 H ATOM 36022 OH2 TIP3 78 -3.516 -7.064 1.861 1.00 0.00 WT3 O ATOM 36023 H1 TIP3 78 2.590 8.299 4.628 1.00 0.00 WT3 H ATOM 36024 H2 TIP3 78 0.791 3.284 4.041 1.00 0.00 WT3 H ATOM 36025 OH2 TIP3 79 0.654 -3.461 3.039 1.00 0.00 WT3 O ATOM 36026 H1 TIP3 79 4.369 -8.753 1.193 1.00 0.00 WT3 H ATOM 36027 H2 TIP3 79 12.389 -11.845 -6.189 1.00 0.00 WT3 H ATOM 36028 OH2 TIP3 80 -2.978 8.469 2.525 1.00 0.00 WT3 O ATOM 36029 H1 TIP3 80 -3.157 4.182 -2.993 1.00 0.00 WT3 H ATOM 36030 H2 TIP3 80 -6.653 -3.978 -20.658 1.00 0.00 WT3 H ATOM 36031 OH2 TIP3 81 -2.562 8.998 2.294 1.00 0.00 WT3 O ATOM 36032 H1 TIP3 81 -5.108 -18.152 -6.937 1.00 0.00 WT3 H ATOM 36033 H2 TIP3 81 -5.036 16.960 2.232 1.00 0.00 WT3 H ATOM 36034 OH2 TIP3 82 -7.784 3.891 -1.380 1.00 0.00 WT3 O ATOM 36035 H1 TIP3 82 -4.637 8.725 4.333 1.00 0.00 WT3 H ATOM 36036 H2 TIP3 82 -24.324 -11.310 -8.570 1.00 0.00 WT3 H ATOM 36037 OH2 TIP3 83 6.111 -0.285 -3.413 1.00 0.00 WT3 O ATOM 36038 H1 TIP3 83 -33.892 0.277 12.605 1.00 0.00 WT3 H ATOM 36039 H2 TIP3 83 12.152 -38.567 -22.712 1.00 0.00 WT3 H ATOM 36040 OH2 TIP3 84 -4.429 -2.750 0.300 1.00 0.00 WT3 O ATOM 36041 H1 TIP3 84 -12.273 -3.871 2.503 1.00 0.00 WT3 H ATOM 36042 H2 TIP3 84 -13.472 -12.923 -0.939 1.00 0.00 WT3 H ATOM 36043 OH2 TIP3 86 -3.782 4.769 -3.005 1.00 0.00 WT3 O ATOM 36044 H1 TIP3 86 3.591 29.242 8.757 1.00 0.00 WT3 H ATOM 36045 H2 TIP3 86 -26.442 15.838 -18.335 1.00 0.00 WT3 H ATOM 36046 OH2 TIP3 87 0.270 -5.017 2.540 1.00 0.00 WT3 O ATOM 36047 H1 TIP3 87 8.438 2.280 9.486 1.00 0.00 WT3 H ATOM 36048 H2 TIP3 87 5.196 -14.880 9.912 1.00 0.00 WT3 H ATOM 36049 OH2 TIP3 88 4.742 4.217 3.257 1.00 0.00 WT3 O ATOM 36050 H1 TIP3 88 9.589 -14.085 -13.282 1.00 0.00 WT3 H ATOM 36051 H2 TIP3 88 15.359 20.901 -12.609 1.00 0.00 WT3 H ATOM 36052 OH2 TIP3 90 -1.290 -2.477 3.717 1.00 0.00 WT3 O ATOM 36053 H1 TIP3 90 0.656 -1.693 7.447 1.00 0.00 WT3 H ATOM 36054 H2 TIP3 90 -1.342 4.411 1.058 1.00 0.00 WT3 H ATOM 36055 OH2 TIP3 91 -2.590 2.557 -0.410 1.00 0.00 WT3 O ATOM 36056 H1 TIP3 91 -7.198 2.366 1.007 1.00 0.00 WT3 H ATOM 36057 H2 TIP3 91 -0.343 5.568 -7.340 1.00 0.00 WT3 H ATOM 36058 OH2 TIP3 92 -3.447 -1.686 -2.580 1.00 0.00 WT3 O ATOM 36059 H1 TIP3 92 -31.561 2.966 -18.035 1.00 0.00 WT3 H ATOM 36060 H2 TIP3 92 -11.993 -2.113 -7.250 1.00 0.00 WT3 H ATOM 36061 OH2 TIP3 93 5.810 -0.465 2.214 1.00 0.00 WT3 O ATOM 36062 H1 TIP3 93 -3.908 6.066 22.922 1.00 0.00 WT3 H ATOM 36063 H2 TIP3 93 24.783 14.719 1.978 1.00 0.00 WT3 H ATOM 36064 OH2 TIP3 94 -0.120 0.902 -3.201 1.00 0.00 WT3 O ATOM 36065 H1 TIP3 94 4.063 -4.375 6.273 1.00 0.00 WT3 H ATOM 36066 H2 TIP3 94 1.407 13.940 8.195 1.00 0.00 WT3 H ATOM 36067 OH2 TIP3 95 3.810 1.172 -7.230 1.00 0.00 WT3 O ATOM 36068 H1 TIP3 95 21.337 5.091 18.950 1.00 0.00 WT3 H ATOM 36069 H2 TIP3 95 10.888 -5.624 16.268 1.00 0.00 WT3 H ATOM 36070 OH2 TIP3 97 -1.438 8.566 7.987 1.00 0.00 WT3 O ATOM 36071 H1 TIP3 97 -10.261 14.089 1.704 1.00 0.00 WT3 H ATOM 36072 H2 TIP3 97 40.577 9.033 37.059 1.00 0.00 WT3 H ATOM 36073 OH2 TIP3 98 0.147 2.946 -4.921 1.00 0.00 WT3 O ATOM 36074 H1 TIP3 98 2.231 1.590 -5.826 1.00 0.00 WT3 H ATOM 36075 H2 TIP3 98 4.951 -17.820 -18.179 1.00 0.00 WT3 H ATOM 36076 OH2 TIP3 99 -8.837 1.534 5.075 1.00 0.00 WT3 O ATOM 36077 H1 TIP3 99 16.344 13.756 3.274 1.00 0.00 WT3 H ATOM 36078 H2 TIP3 99 26.521 5.616 -20.643 1.00 0.00 WT3 H ATOM 36079 OH2 TIP3 100 -11.119 -6.452 1.403 1.00 0.00 WT3 O ATOM 36080 H1 TIP3 100 -18.065 9.922 2.239 1.00 0.00 WT3 H ATOM 36081 H2 TIP3 100 -28.422 -8.762 6.134 1.00 0.00 WT3 H ATOM 36082 OH2 TIP3 101 -3.521 2.240 6.335 1.00 0.00 WT3 O ATOM 36083 H1 TIP3 101 14.197 16.403 23.175 1.00 0.00 WT3 H ATOM 36084 H2 TIP3 101 -1.175 -17.871 14.349 1.00 0.00 WT3 H ATOM 36085 OH2 TIP3 102 6.759 -1.966 -3.871 1.00 0.00 WT3 O ATOM 36086 H1 TIP3 102 -11.581 -4.213 -3.246 1.00 0.00 WT3 H ATOM 36087 H2 TIP3 102 18.893 -10.437 9.850 1.00 0.00 WT3 H ATOM 36088 OH2 TIP3 104 -0.358 -3.764 -2.433 1.00 0.00 WT3 O ATOM 36089 H1 TIP3 104 6.433 -9.689 -6.205 1.00 0.00 WT3 H ATOM 36090 H2 TIP3 104 4.903 7.626 -2.395 1.00 0.00 WT3 H ATOM 36091 OH2 TIP3 105 9.087 1.611 -8.365 1.00 0.00 WT3 O ATOM 36092 H1 TIP3 105 3.612 23.154 19.504 1.00 0.00 WT3 H ATOM 36093 H2 TIP3 105 12.966 -5.602 -13.718 1.00 0.00 WT3 H ATOM 36094 OH2 TIP3 106 -0.260 -5.196 -1.516 1.00 0.00 WT3 O ATOM 36095 H1 TIP3 106 -0.519 -4.084 -2.140 1.00 0.00 WT3 H ATOM 36096 H2 TIP3 106 -2.413 7.790 -10.703 1.00 0.00 WT3 H ATOM 36097 OH2 TIP3 107 -2.810 -3.899 -1.306 1.00 0.00 WT3 O ATOM 36098 H1 TIP3 107 -12.190 1.317 15.546 1.00 0.00 WT3 H ATOM 36099 H2 TIP3 107 5.972 -1.196 -5.861 1.00 0.00 WT3 H ATOM 36100 OH2 TIP3 108 -2.234 0.732 -2.263 1.00 0.00 WT3 O ATOM 36101 H1 TIP3 108 -2.418 12.812 20.690 1.00 0.00 WT3 H ATOM 36102 H2 TIP3 108 4.979 9.809 3.623 1.00 0.00 WT3 H ATOM 36103 OH2 TIP3 109 -0.423 -2.012 -3.127 1.00 0.00 WT3 O ATOM 36104 H1 TIP3 109 6.913 -7.491 -25.718 1.00 0.00 WT3 H ATOM 36105 H2 TIP3 109 10.798 18.103 0.499 1.00 0.00 WT3 H ATOM 36106 OH2 TIP3 110 -2.049 -2.024 3.579 1.00 0.00 WT3 O ATOM 36107 H1 TIP3 110 -4.466 -8.591 11.245 1.00 0.00 WT3 H ATOM 36108 H2 TIP3 110 3.819 -3.429 -5.261 1.00 0.00 WT3 H ATOM 36109 OH2 TIP3 111 -5.218 -4.235 -0.168 1.00 0.00 WT3 O ATOM 36110 H1 TIP3 111 -7.854 -7.410 -13.109 1.00 0.00 WT3 H ATOM 36111 H2 TIP3 111 3.235 7.791 -6.137 1.00 0.00 WT3 H ATOM 36112 OH2 TIP3 112 0.866 1.201 0.095 1.00 0.00 WT3 O ATOM 36113 H1 TIP3 112 19.496 -8.250 15.802 1.00 0.00 WT3 H ATOM 36114 H2 TIP3 112 -7.119 8.062 -9.497 1.00 0.00 WT3 H ATOM 36115 OH2 TIP3 113 -1.424 7.010 0.456 1.00 0.00 WT3 O ATOM 36116 H1 TIP3 113 -3.828 -1.347 -4.215 1.00 0.00 WT3 H ATOM 36117 H2 TIP3 113 -19.497 2.297 -3.453 1.00 0.00 WT3 H ATOM 36118 OH2 TIP3 114 0.998 4.737 -3.100 1.00 0.00 WT3 O ATOM 36119 H1 TIP3 114 -18.979 13.338 -9.162 1.00 0.00 WT3 H ATOM 36120 H2 TIP3 114 -16.283 -11.829 -6.768 1.00 0.00 WT3 H ATOM 36121 OH2 TIP3 115 1.466 0.024 -0.152 1.00 0.00 WT3 O ATOM 36122 H1 TIP3 115 14.901 7.526 10.728 1.00 0.00 WT3 H ATOM 36123 H2 TIP3 115 -7.370 -13.485 12.289 1.00 0.00 WT3 H ATOM 36124 OH2 TIP3 118 2.807 3.368 2.029 1.00 0.00 WT3 O ATOM 36125 H1 TIP3 118 5.924 7.706 6.927 1.00 0.00 WT3 H ATOM 36126 H2 TIP3 118 0.171 -14.677 5.136 1.00 0.00 WT3 H ATOM 36127 OH2 TIP3 119 -3.838 -3.160 -0.253 1.00 0.00 WT3 O ATOM 36128 H1 TIP3 119 24.075 2.427 16.579 1.00 0.00 WT3 H ATOM 36129 H2 TIP3 119 -0.817 5.442 -8.104 1.00 0.00 WT3 H ATOM 36130 OH2 TIP3 120 4.042 -4.867 3.438 1.00 0.00 WT3 O ATOM 36131 H1 TIP3 120 1.756 -7.742 0.599 1.00 0.00 WT3 H ATOM 36132 H2 TIP3 120 3.057 -5.444 6.217 1.00 0.00 WT3 H ATOM 36133 OH2 TIP3 121 1.928 0.114 3.681 1.00 0.00 WT3 O ATOM 36134 H1 TIP3 121 -13.472 0.020 -2.334 1.00 0.00 WT3 H ATOM 36135 H2 TIP3 121 16.334 -11.498 0.248 1.00 0.00 WT3 H ATOM 36136 OH2 TIP3 122 4.983 -3.625 2.641 1.00 0.00 WT3 O ATOM 36137 H1 TIP3 122 11.530 -4.292 -4.969 1.00 0.00 WT3 H ATOM 36138 H2 TIP3 122 -1.807 -9.615 0.189 1.00 0.00 WT3 H ATOM 36139 OH2 TIP3 124 0.170 3.690 -1.886 1.00 0.00 WT3 O ATOM 36140 H1 TIP3 124 2.993 16.782 5.897 1.00 0.00 WT3 H ATOM 36141 H2 TIP3 124 13.120 -8.711 -2.072 1.00 0.00 WT3 H ATOM 36142 OH2 TIP3 125 -1.006 0.883 -1.043 1.00 0.00 WT3 O ATOM 36143 H1 TIP3 125 -19.691 15.409 11.221 1.00 0.00 WT3 H ATOM 36144 H2 TIP3 125 16.670 -5.004 12.097 1.00 0.00 WT3 H ATOM 36145 OH2 TIP3 126 3.211 -0.083 5.200 1.00 0.00 WT3 O ATOM 36146 H1 TIP3 126 -0.521 2.666 4.860 1.00 0.00 WT3 H ATOM 36147 H2 TIP3 126 6.905 -1.444 1.569 1.00 0.00 WT3 H ATOM 36148 OH2 TIP3 127 4.235 -7.103 1.442 1.00 0.00 WT3 O ATOM 36149 H1 TIP3 127 16.208 7.054 -2.083 1.00 0.00 WT3 H ATOM 36150 H2 TIP3 127 -7.053 -12.313 6.954 1.00 0.00 WT3 H ATOM 36151 OH2 TIP3 128 -3.865 -2.171 -4.190 1.00 0.00 WT3 O ATOM 36152 H1 TIP3 128 -5.093 -13.306 -9.249 1.00 0.00 WT3 H ATOM 36153 H2 TIP3 128 -8.027 9.516 -12.969 1.00 0.00 WT3 H ATOM 36154 OH2 TIP3 129 -0.721 5.142 0.177 1.00 0.00 WT3 O ATOM 36155 H1 TIP3 129 -11.045 -1.730 19.075 1.00 0.00 WT3 H ATOM 36156 H2 TIP3 129 3.303 19.871 3.906 1.00 0.00 WT3 H ATOM 36157 OH2 TIP3 130 6.741 1.754 -6.956 1.00 0.00 WT3 O ATOM 36158 H1 TIP3 130 -15.710 0.610 -5.242 1.00 0.00 WT3 H ATOM 36159 H2 TIP3 130 0.411 -2.448 -4.612 1.00 0.00 WT3 H ATOM 36160 OH2 TIP3 131 -1.713 3.218 -2.266 1.00 0.00 WT3 O ATOM 36161 H1 TIP3 131 -0.332 15.863 4.662 1.00 0.00 WT3 H ATOM 36162 H2 TIP3 131 -2.212 8.656 1.363 1.00 0.00 WT3 H ATOM 36163 OH2 TIP3 132 -2.264 -4.988 -0.147 1.00 0.00 WT3 O ATOM 36164 H1 TIP3 132 -12.973 6.146 -23.348 1.00 0.00 WT3 H ATOM 36165 H2 TIP3 132 8.521 18.346 -12.707 1.00 0.00 WT3 H ATOM 36166 OH2 TIP3 133 -4.440 2.562 -0.673 1.00 0.00 WT3 O ATOM 36167 H1 TIP3 133 14.735 8.137 2.371 1.00 0.00 WT3 H ATOM 36168 H2 TIP3 133 7.757 0.092 0.331 1.00 0.00 WT3 H ATOM 36169 OH2 TIP3 134 -0.190 -2.378 4.883 1.00 0.00 WT3 O ATOM 36170 H1 TIP3 134 1.454 -0.614 11.560 1.00 0.00 WT3 H ATOM 36171 H2 TIP3 134 13.812 -14.223 -10.517 1.00 0.00 WT3 H ATOM 36172 OH2 TIP3 135 4.898 0.018 9.734 1.00 0.00 WT3 O ATOM 36173 H1 TIP3 135 9.328 -8.369 8.359 1.00 0.00 WT3 H ATOM 36174 H2 TIP3 135 9.096 4.254 6.895 1.00 0.00 WT3 H ATOM 36175 OH2 TIP3 136 -4.922 1.174 -0.718 1.00 0.00 WT3 O ATOM 36176 H1 TIP3 136 -4.243 12.216 -7.967 1.00 0.00 WT3 H ATOM 36177 H2 TIP3 136 2.625 -4.020 -10.193 1.00 0.00 WT3 H ATOM 36178 OH2 TIP3 137 0.074 4.493 -2.581 1.00 0.00 WT3 O ATOM 36179 H1 TIP3 137 -9.927 11.861 -24.307 1.00 0.00 WT3 H ATOM 36180 H2 TIP3 137 -2.616 -7.694 3.101 1.00 0.00 WT3 H ATOM 36181 OH2 TIP3 138 -2.307 0.679 1.028 1.00 0.00 WT3 O ATOM 36182 H1 TIP3 138 -6.873 -5.008 -0.888 1.00 0.00 WT3 H ATOM 36183 H2 TIP3 138 -7.157 1.115 8.718 1.00 0.00 WT3 H ATOM 36184 OH2 TIP3 139 -2.061 5.059 1.533 1.00 0.00 WT3 O ATOM 36185 H1 TIP3 139 -9.659 10.131 15.994 1.00 0.00 WT3 H ATOM 36186 H2 TIP3 139 -1.337 0.700 0.069 1.00 0.00 WT3 H ATOM 36187 OH2 TIP3 140 0.144 1.060 -1.819 1.00 0.00 WT3 O ATOM 36188 H1 TIP3 140 3.586 -2.243 2.160 1.00 0.00 WT3 H ATOM 36189 H2 TIP3 140 4.077 -2.056 -17.378 1.00 0.00 WT3 H ATOM 36190 OH2 TIP3 141 3.001 3.488 6.636 1.00 0.00 WT3 O ATOM 36191 H1 TIP3 141 1.576 14.777 0.416 1.00 0.00 WT3 H ATOM 36192 H2 TIP3 141 15.099 -11.762 -3.992 1.00 0.00 WT3 H ATOM 36193 OH2 TIP3 142 -0.671 -1.468 3.030 1.00 0.00 WT3 O ATOM 36194 H1 TIP3 142 8.828 -1.138 -13.660 1.00 0.00 WT3 H ATOM 36195 H2 TIP3 142 -11.607 11.213 -28.458 1.00 0.00 WT3 H ATOM 36196 OH2 TIP3 143 4.085 -0.970 1.128 1.00 0.00 WT3 O ATOM 36197 H1 TIP3 143 3.861 2.097 7.104 1.00 0.00 WT3 H ATOM 36198 H2 TIP3 143 -17.139 1.618 -8.748 1.00 0.00 WT3 H ATOM 36199 OH2 TIP3 144 -5.646 -4.611 -3.717 1.00 0.00 WT3 O ATOM 36200 H1 TIP3 144 -21.260 25.852 10.100 1.00 0.00 WT3 H ATOM 36201 H2 TIP3 144 -8.392 -0.471 -1.790 1.00 0.00 WT3 H ATOM 36202 OH2 TIP3 145 4.682 6.320 1.458 1.00 0.00 WT3 O ATOM 36203 H1 TIP3 145 25.072 2.730 -8.563 1.00 0.00 WT3 H ATOM 36204 H2 TIP3 145 -0.745 3.882 -6.330 1.00 0.00 WT3 H ATOM 36205 OH2 TIP3 147 -2.685 -2.193 1.949 1.00 0.00 WT3 O ATOM 36206 H1 TIP3 147 -21.905 -6.733 -8.308 1.00 0.00 WT3 H ATOM 36207 H2 TIP3 147 -12.523 2.120 2.403 1.00 0.00 WT3 H ATOM 36208 OH2 TIP3 148 -1.608 -5.019 5.198 1.00 0.00 WT3 O ATOM 36209 H1 TIP3 148 -3.433 0.257 0.247 1.00 0.00 WT3 H ATOM 36210 H2 TIP3 148 9.122 -14.627 23.041 1.00 0.00 WT3 H ATOM 36211 OH2 TIP3 149 11.005 -6.152 -2.230 1.00 0.00 WT3 O ATOM 36212 H1 TIP3 149 4.615 -4.699 -19.137 1.00 0.00 WT3 H ATOM 36213 H2 TIP3 149 0.467 -15.691 5.828 1.00 0.00 WT3 H ATOM 36214 OH2 TIP3 150 0.289 -4.573 5.117 1.00 0.00 WT3 O ATOM 36215 H1 TIP3 150 -6.672 19.756 6.696 1.00 0.00 WT3 H ATOM 36216 H2 TIP3 150 6.716 -13.986 3.000 1.00 0.00 WT3 H ATOM 36217 OH2 TIP3 151 -5.067 5.660 -9.408 1.00 0.00 WT3 O ATOM 36218 H1 TIP3 151 -4.929 0.978 -7.638 1.00 0.00 WT3 H ATOM 36219 H2 TIP3 151 -8.775 4.572 -5.755 1.00 0.00 WT3 H ATOM 36220 OH2 TIP3 152 -0.974 -0.577 -2.495 1.00 0.00 WT3 O ATOM 36221 H1 TIP3 152 -20.574 -6.781 -0.279 1.00 0.00 WT3 H ATOM 36222 H2 TIP3 152 -6.444 -4.534 4.066 1.00 0.00 WT3 H ATOM 36223 OH2 TIP3 154 2.692 -4.533 -1.531 1.00 0.00 WT3 O ATOM 36224 H1 TIP3 154 3.010 -13.738 -2.255 1.00 0.00 WT3 H ATOM 36225 H2 TIP3 154 4.711 -1.178 2.105 1.00 0.00 WT3 H ATOM 36226 OH2 TIP3 155 1.972 0.415 0.875 1.00 0.00 WT3 O ATOM 36227 H1 TIP3 155 4.542 -9.123 8.502 1.00 0.00 WT3 H ATOM 36228 H2 TIP3 155 1.276 -1.367 -4.150 1.00 0.00 WT3 H ATOM 36229 OH2 TIP3 156 -2.291 2.208 -3.153 1.00 0.00 WT3 O ATOM 36230 H1 TIP3 156 -20.325 12.759 7.685 1.00 0.00 WT3 H ATOM 36231 H2 TIP3 156 19.197 10.387 8.377 1.00 0.00 WT3 H ATOM 36232 OH2 TIP3 157 5.789 -1.282 3.820 1.00 0.00 WT3 O ATOM 36233 H1 TIP3 157 -2.680 13.299 3.372 1.00 0.00 WT3 H ATOM 36234 H2 TIP3 157 11.906 -1.256 -8.614 1.00 0.00 WT3 H ATOM 36235 OH2 TIP3 158 3.976 -5.672 6.083 1.00 0.00 WT3 O ATOM 36236 H1 TIP3 158 -8.666 -0.342 -9.843 1.00 0.00 WT3 H ATOM 36237 H2 TIP3 158 0.231 -2.335 -0.357 1.00 0.00 WT3 H ATOM 36238 OH2 TIP3 159 -3.740 -7.195 8.242 1.00 0.00 WT3 O ATOM 36239 H1 TIP3 159 -29.929 -11.083 -20.654 1.00 0.00 WT3 H ATOM 36240 H2 TIP3 159 4.662 -5.026 11.224 1.00 0.00 WT3 H ATOM 36241 OH2 TIP3 160 -2.535 4.404 2.996 1.00 0.00 WT3 O ATOM 36242 H1 TIP3 160 -11.674 -23.880 16.236 1.00 0.00 WT3 H ATOM 36243 H2 TIP3 160 0.408 4.550 3.076 1.00 0.00 WT3 H ATOM 36244 OH2 TIP3 161 2.920 9.563 -3.485 1.00 0.00 WT3 O ATOM 36245 H1 TIP3 161 2.037 -10.378 -13.262 1.00 0.00 WT3 H ATOM 36246 H2 TIP3 161 19.963 5.178 8.500 1.00 0.00 WT3 H ATOM 36247 OH2 TIP3 162 -4.560 -10.192 0.525 1.00 0.00 WT3 O ATOM 36248 H1 TIP3 162 -0.451 -14.325 12.108 1.00 0.00 WT3 H ATOM 36249 H2 TIP3 162 -14.137 2.307 -22.866 1.00 0.00 WT3 H ATOM 36250 OH2 TIP3 164 1.470 -0.300 1.604 1.00 0.00 WT3 O ATOM 36251 H1 TIP3 164 4.775 7.543 20.910 1.00 0.00 WT3 H ATOM 36252 H2 TIP3 164 -7.784 -0.431 -9.092 1.00 0.00 WT3 H ATOM 36253 OH2 TIP3 165 -5.766 2.829 1.024 1.00 0.00 WT3 O ATOM 36254 H1 TIP3 165 -1.429 -6.003 -4.252 1.00 0.00 WT3 H ATOM 36255 H2 TIP3 165 -11.705 2.278 -6.176 1.00 0.00 WT3 H ATOM 36256 OH2 TIP3 166 1.554 -0.264 -8.245 1.00 0.00 WT3 O ATOM 36257 H1 TIP3 166 -2.627 -4.816 -22.842 1.00 0.00 WT3 H ATOM 36258 H2 TIP3 166 -3.583 -3.077 -36.421 1.00 0.00 WT3 H ATOM 36259 OH2 TIP3 167 0.329 7.180 1.708 1.00 0.00 WT3 O ATOM 36260 H1 TIP3 167 -8.664 -5.764 -26.498 1.00 0.00 WT3 H ATOM 36261 H2 TIP3 167 13.918 -12.933 13.778 1.00 0.00 WT3 H ATOM 36262 OH2 TIP3 169 0.441 -1.624 -0.395 1.00 0.00 WT3 O ATOM 36263 H1 TIP3 169 -1.945 -3.975 11.038 1.00 0.00 WT3 H ATOM 36264 H2 TIP3 169 11.604 11.418 2.605 1.00 0.00 WT3 H ATOM 36265 OH2 TIP3 171 -1.912 1.305 -0.100 1.00 0.00 WT3 O ATOM 36266 H1 TIP3 171 -17.752 0.266 5.694 1.00 0.00 WT3 H ATOM 36267 H2 TIP3 171 -1.058 14.542 -14.156 1.00 0.00 WT3 H ATOM 36268 OH2 TIP3 176 3.498 -6.004 -4.232 1.00 0.00 WT3 O ATOM 36269 H1 TIP3 176 -8.352 -0.441 1.249 1.00 0.00 WT3 H ATOM 36270 H2 TIP3 176 -18.582 -1.789 -0.109 1.00 0.00 WT3 H ATOM 36271 OH2 TIP3 177 -3.607 1.483 -4.812 1.00 0.00 WT3 O ATOM 36272 H1 TIP3 177 -20.203 0.486 0.393 1.00 0.00 WT3 H ATOM 36273 H2 TIP3 177 -3.748 7.075 -5.432 1.00 0.00 WT3 H ATOM 36274 OH2 TIP3 180 3.657 5.667 -4.127 1.00 0.00 WT3 O ATOM 36275 H1 TIP3 180 17.761 22.549 -15.697 1.00 0.00 WT3 H ATOM 36276 H2 TIP3 180 10.957 -13.782 -8.021 1.00 0.00 WT3 H ATOM 36277 OH2 TIP3 182 -1.267 -7.020 1.494 1.00 0.00 WT3 O ATOM 36278 H1 TIP3 182 2.890 -5.652 3.406 1.00 0.00 WT3 H ATOM 36279 H2 TIP3 182 6.049 -14.882 -5.645 1.00 0.00 WT3 H ATOM 36280 OH2 TIP3 183 5.709 8.743 -0.319 1.00 0.00 WT3 O ATOM 36281 H1 TIP3 183 11.157 -1.697 2.136 1.00 0.00 WT3 H ATOM 36282 H2 TIP3 183 2.201 17.562 8.703 1.00 0.00 WT3 H ATOM 36283 OH2 TIP3 184 1.036 1.566 8.603 1.00 0.00 WT3 O ATOM 36284 H1 TIP3 184 45.938 4.163 -8.295 1.00 0.00 WT3 H ATOM 36285 H2 TIP3 184 -6.388 -1.487 18.996 1.00 0.00 WT3 H ATOM 36286 OH2 TIP3 186 -1.059 4.107 -1.887 1.00 0.00 WT3 O ATOM 36287 H1 TIP3 186 -11.982 -5.419 -8.723 1.00 0.00 WT3 H ATOM 36288 H2 TIP3 186 -13.099 14.102 1.243 1.00 0.00 WT3 H ATOM 36289 OH2 TIP3 187 -2.511 -8.523 2.768 1.00 0.00 WT3 O ATOM 36290 H1 TIP3 187 4.124 -21.588 20.292 1.00 0.00 WT3 H ATOM 36291 H2 TIP3 187 -14.385 -0.544 -9.516 1.00 0.00 WT3 H ATOM 36292 OH2 TIP3 188 -1.080 -2.518 -3.612 1.00 0.00 WT3 O ATOM 36293 H1 TIP3 188 2.058 13.859 -10.645 1.00 0.00 WT3 H ATOM 36294 H2 TIP3 188 0.556 1.853 -4.155 1.00 0.00 WT3 H ATOM 36295 OH2 TIP3 192 0.291 -2.850 3.346 1.00 0.00 WT3 O ATOM 36296 H1 TIP3 192 2.961 3.440 6.890 1.00 0.00 WT3 H ATOM 36297 H2 TIP3 192 -2.676 3.795 1.600 1.00 0.00 WT3 H ATOM 36298 OH2 TIP3 193 1.326 -7.231 -5.004 1.00 0.00 WT3 O ATOM 36299 H1 TIP3 193 20.336 -28.535 14.121 1.00 0.00 WT3 H ATOM 36300 H2 TIP3 193 3.794 20.978 -11.098 1.00 0.00 WT3 H ATOM 36301 OH2 TIP3 197 1.096 -0.450 -0.174 1.00 0.00 WT3 O ATOM 36302 H1 TIP3 197 0.503 -14.116 10.518 1.00 0.00 WT3 H ATOM 36303 H2 TIP3 197 0.007 17.620 13.442 1.00 0.00 WT3 H ATOM 36304 OH2 TIP3 200 -3.471 -4.401 -4.359 1.00 0.00 WT3 O ATOM 36305 H1 TIP3 200 1.460 -9.014 -16.138 1.00 0.00 WT3 H ATOM 36306 H2 TIP3 200 -7.312 2.481 5.894 1.00 0.00 WT3 H ATOM 36307 OH2 TIP3 201 -2.168 0.688 -6.362 1.00 0.00 WT3 O ATOM 36308 H1 TIP3 201 -1.185 -3.600 -8.192 1.00 0.00 WT3 H ATOM 36309 H2 TIP3 201 -1.401 4.981 -8.007 1.00 0.00 WT3 H ATOM 36310 OH2 TIP3 203 3.385 -0.880 -0.484 1.00 0.00 WT3 O ATOM 36311 H1 TIP3 203 19.865 0.445 4.440 1.00 0.00 WT3 H ATOM 36312 H2 TIP3 203 8.183 6.909 -17.173 1.00 0.00 WT3 H ATOM 36313 OH2 TIP3 204 -2.141 -5.111 4.263 1.00 0.00 WT3 O ATOM 36314 H1 TIP3 204 -0.858 -3.423 12.084 1.00 0.00 WT3 H ATOM 36315 H2 TIP3 204 0.603 -9.617 -3.895 1.00 0.00 WT3 H ATOM 36316 OH2 TIP3 210 -1.287 -8.168 -1.454 1.00 0.00 WT3 O ATOM 36317 H1 TIP3 210 -26.027 8.945 24.916 1.00 0.00 WT3 H ATOM 36318 H2 TIP3 210 -8.870 11.612 9.952 1.00 0.00 WT3 H ATOM 36319 OH2 TIP3 212 -2.570 3.066 2.620 1.00 0.00 WT3 O ATOM 36320 H1 TIP3 212 8.358 13.744 -14.898 1.00 0.00 WT3 H ATOM 36321 H2 TIP3 212 -8.676 -4.175 15.357 1.00 0.00 WT3 H ATOM 36322 OH2 TIP3 215 -0.222 3.209 3.032 1.00 0.00 WT3 O ATOM 36323 H1 TIP3 215 -7.047 8.127 5.307 1.00 0.00 WT3 H ATOM 36324 H2 TIP3 215 -9.753 13.796 10.579 1.00 0.00 WT3 H ATOM 36325 OH2 TIP3 221 9.420 -4.704 0.895 1.00 0.00 WT3 O ATOM 36326 H1 TIP3 221 -1.218 10.387 -11.260 1.00 0.00 WT3 H ATOM 36327 H2 TIP3 221 11.180 -9.106 11.823 1.00 0.00 WT3 H ATOM 36328 OH2 TIP3 223 5.350 -4.631 -3.319 1.00 0.00 WT3 O ATOM 36329 H1 TIP3 223 36.783 20.243 -26.852 1.00 0.00 WT3 H ATOM 36330 H2 TIP3 223 0.954 7.784 -11.898 1.00 0.00 WT3 H ATOM 36331 OH2 TIP3 225 -3.375 1.819 -3.351 1.00 0.00 WT3 O ATOM 36332 H1 TIP3 225 -9.568 -5.105 10.407 1.00 0.00 WT3 H ATOM 36333 H2 TIP3 225 -4.478 -12.369 -8.332 1.00 0.00 WT3 H ATOM 36334 OH2 TIP3 232 -0.401 -3.425 0.393 1.00 0.00 WT3 O ATOM 36335 H1 TIP3 232 11.010 -9.716 -2.516 1.00 0.00 WT3 H ATOM 36336 H2 TIP3 232 -5.576 -8.931 -22.014 1.00 0.00 WT3 H ATOM 36337 OH2 TIP3 234 3.629 5.852 6.145 1.00 0.00 WT3 O ATOM 36338 H1 TIP3 234 -6.321 -16.613 -9.515 1.00 0.00 WT3 H ATOM 36339 H2 TIP3 234 3.196 8.773 30.357 1.00 0.00 WT3 H ATOM 36340 OH2 TIP3 236 4.210 2.768 1.163 1.00 0.00 WT3 O ATOM 36341 H1 TIP3 236 -8.315 -6.438 -14.282 1.00 0.00 WT3 H ATOM 36342 H2 TIP3 236 24.729 6.921 7.555 1.00 0.00 WT3 H ATOM 36343 OH2 TIP3 237 1.448 -6.516 9.903 1.00 0.00 WT3 O ATOM 36344 H1 TIP3 237 -23.229 -9.018 -1.346 1.00 0.00 WT3 H ATOM 36345 H2 TIP3 237 -2.112 -1.901 -6.479 1.00 0.00 WT3 H ATOM 36346 OH2 TIP3 239 -0.584 -4.049 8.885 1.00 0.00 WT3 O ATOM 36347 H1 TIP3 239 -7.866 9.245 3.076 1.00 0.00 WT3 H ATOM 36348 H2 TIP3 239 -4.019 1.529 4.922 1.00 0.00 WT3 H ATOM 36349 OH2 TIP3 241 -2.905 2.347 4.569 1.00 0.00 WT3 O ATOM 36350 H1 TIP3 241 1.811 14.504 -1.163 1.00 0.00 WT3 H ATOM 36351 H2 TIP3 241 -7.253 1.886 7.714 1.00 0.00 WT3 H ATOM 36352 OH2 TIP3 245 -0.344 -2.556 -3.090 1.00 0.00 WT3 O ATOM 36353 H1 TIP3 245 -5.202 4.903 7.651 1.00 0.00 WT3 H ATOM 36354 H2 TIP3 245 6.616 -10.743 -4.124 1.00 0.00 WT3 H ATOM 36355 OH2 TIP3 256 4.758 0.720 -1.142 1.00 0.00 WT3 O ATOM 36356 H1 TIP3 256 -7.526 8.850 -1.059 1.00 0.00 WT3 H ATOM 36357 H2 TIP3 256 17.794 1.076 -18.583 1.00 0.00 WT3 H ATOM 36358 OH2 TIP3 261 -1.561 -0.793 6.819 1.00 0.00 WT3 O ATOM 36359 H1 TIP3 261 -18.204 -24.627 0.996 1.00 0.00 WT3 H ATOM 36360 H2 TIP3 261 6.012 -13.314 0.055 1.00 0.00 WT3 H ATOM 36361 OH2 TIP3 268 -6.185 3.045 0.406 1.00 0.00 WT3 O ATOM 36362 H1 TIP3 268 -8.224 7.533 3.864 1.00 0.00 WT3 H ATOM 36363 H2 TIP3 268 -12.043 0.529 1.070 1.00 0.00 WT3 H ATOM 36364 OH2 TIP3 270 2.171 6.654 -0.247 1.00 0.00 WT3 O ATOM 36365 H1 TIP3 270 0.141 6.433 0.950 1.00 0.00 WT3 H ATOM 36366 H2 TIP3 270 7.884 3.484 2.223 1.00 0.00 WT3 H ATOM 36367 OH2 TIP3 272 3.119 4.150 1.708 1.00 0.00 WT3 O ATOM 36368 H1 TIP3 272 -13.304 6.392 13.442 1.00 0.00 WT3 H ATOM 36369 H2 TIP3 272 0.234 -2.213 -1.496 1.00 0.00 WT3 H ATOM 36370 OH2 TIP3 282 0.275 -0.194 2.803 1.00 0.00 WT3 O ATOM 36371 H1 TIP3 282 7.350 -35.640 4.619 1.00 0.00 WT3 H ATOM 36372 H2 TIP3 282 -12.350 0.863 -27.965 1.00 0.00 WT3 H ATOM 36373 OH2 TIP3 287 6.171 3.221 -3.164 1.00 0.00 WT3 O ATOM 36374 H1 TIP3 287 -3.190 -11.438 -11.538 1.00 0.00 WT3 H ATOM 36375 H2 TIP3 287 14.947 -14.481 -19.305 1.00 0.00 WT3 H ATOM 36376 OH2 TIP3 290 -5.008 -3.515 0.640 1.00 0.00 WT3 O ATOM 36377 H1 TIP3 290 -23.459 1.109 -5.371 1.00 0.00 WT3 H ATOM 36378 H2 TIP3 290 2.246 0.575 6.857 1.00 0.00 WT3 H ATOM 36379 OH2 TIP3 313 1.844 -0.846 -0.537 1.00 0.00 WT3 O ATOM 36380 H1 TIP3 313 5.540 2.149 -8.936 1.00 0.00 WT3 H ATOM 36381 H2 TIP3 313 -20.458 -2.048 -22.202 1.00 0.00 WT3 H ATOM 36382 OH2 TIP3 360 5.048 -1.077 -1.663 1.00 0.00 WT3 O ATOM 36383 H1 TIP3 360 25.404 -6.795 11.163 1.00 0.00 WT3 H ATOM 36384 H2 TIP3 360 -2.228 -26.214 2.915 1.00 0.00 WT3 H ATOM 36385 OH2 TIP3 365 -1.652 -4.054 -4.392 1.00 0.00 WT3 O ATOM 36386 H1 TIP3 365 -4.608 1.458 -4.489 1.00 0.00 WT3 H ATOM 36387 H2 TIP3 365 -2.701 -7.902 -5.680 1.00 0.00 WT3 H ATOM 36388 OH2 TIP3 370 -3.433 -3.190 0.702 1.00 0.00 WT3 O ATOM 36389 H1 TIP3 370 30.040 -13.336 -7.578 1.00 0.00 WT3 H ATOM 36390 H2 TIP3 370 2.169 -8.485 -6.223 1.00 0.00 WT3 H ATOM 36391 OH2 TIP3 379 -0.168 3.423 -4.390 1.00 0.00 WT3 O ATOM 36392 H1 TIP3 379 -7.249 -24.901 -3.063 1.00 0.00 WT3 H ATOM 36393 H2 TIP3 379 -27.394 8.986 18.751 1.00 0.00 WT3 H ATOM 36394 OH2 TIP3 400 -1.075 -1.057 -1.045 1.00 0.00 WT3 O ATOM 36395 H1 TIP3 400 7.151 2.411 -16.771 1.00 0.00 WT3 H ATOM 36396 H2 TIP3 400 9.212 1.123 3.472 1.00 0.00 WT3 H ATOM 36397 OH2 TIP3 407 -1.260 6.201 1.317 1.00 0.00 WT3 O ATOM 36398 H1 TIP3 407 17.615 5.917 -5.337 1.00 0.00 WT3 H ATOM 36399 H2 TIP3 407 30.148 0.580 -20.859 1.00 0.00 WT3 H ATOM 36400 OH2 TIP3 408 6.800 4.276 -1.887 1.00 0.00 WT3 O ATOM 36401 H1 TIP3 408 -12.849 3.378 -13.673 1.00 0.00 WT3 H ATOM 36402 H2 TIP3 408 13.061 -21.870 21.605 1.00 0.00 WT3 H ATOM 36403 OH2 TIP3 411 -0.671 1.354 -2.600 1.00 0.00 WT3 O ATOM 36404 H1 TIP3 411 -10.049 8.248 13.772 1.00 0.00 WT3 H ATOM 36405 H2 TIP3 411 -1.272 -5.834 -26.607 1.00 0.00 WT3 H ATOM 36406 OH2 TIP3 412 7.057 1.418 -2.406 1.00 0.00 WT3 O ATOM 36407 H1 TIP3 412 6.541 12.900 0.179 1.00 0.00 WT3 H ATOM 36408 H2 TIP3 412 6.645 9.443 -6.569 1.00 0.00 WT3 H ATOM 36409 OH2 TIP3 413 -8.005 3.203 3.636 1.00 0.00 WT3 O ATOM 36410 H1 TIP3 413 -5.120 19.822 -18.884 1.00 0.00 WT3 H ATOM 36411 H2 TIP3 413 1.428 7.398 12.558 1.00 0.00 WT3 H ATOM 36412 OH2 TIP3 417 5.432 5.610 -4.196 1.00 0.00 WT3 O ATOM 36413 H1 TIP3 417 -1.058 11.725 13.003 1.00 0.00 WT3 H ATOM 36414 H2 TIP3 417 -18.340 0.794 -10.189 1.00 0.00 WT3 H ATOM 36415 OH2 TIP3 421 -1.640 4.944 4.001 1.00 0.00 WT3 O ATOM 36416 H1 TIP3 421 -4.435 3.025 8.924 1.00 0.00 WT3 H ATOM 36417 H2 TIP3 421 -22.238 6.266 8.070 1.00 0.00 WT3 H ATOM 36418 OH2 TIP3 424 2.033 4.155 -0.312 1.00 0.00 WT3 O ATOM 36419 H1 TIP3 424 3.258 7.701 -3.448 1.00 0.00 WT3 H ATOM 36420 H2 TIP3 424 6.857 1.437 1.456 1.00 0.00 WT3 H ATOM 36421 OH2 TIP3 429 10.400 -0.892 -3.110 1.00 0.00 WT3 O ATOM 36422 H1 TIP3 429 1.690 8.242 10.802 1.00 0.00 WT3 H ATOM 36423 H2 TIP3 429 1.211 -12.912 -3.122 1.00 0.00 WT3 H ATOM 36424 OH2 TIP3 430 -1.209 -4.529 5.985 1.00 0.00 WT3 O ATOM 36425 H1 TIP3 430 -2.308 -6.474 20.675 1.00 0.00 WT3 H ATOM 36426 H2 TIP3 430 -14.081 -2.583 1.384 1.00 0.00 WT3 H ATOM 36427 OH2 TIP3 432 5.495 2.378 6.507 1.00 0.00 WT3 O ATOM 36428 H1 TIP3 432 -2.812 -9.564 9.596 1.00 0.00 WT3 H ATOM 36429 H2 TIP3 432 8.726 3.630 -1.865 1.00 0.00 WT3 H ATOM 36430 OH2 TIP3 434 7.937 -2.000 -1.080 1.00 0.00 WT3 O ATOM 36431 H1 TIP3 434 -0.425 -9.750 -1.657 1.00 0.00 WT3 H ATOM 36432 H2 TIP3 434 5.142 8.014 -3.967 1.00 0.00 WT3 H ATOM 36433 OH2 TIP3 436 5.589 -1.455 -2.558 1.00 0.00 WT3 O ATOM 36434 H1 TIP3 436 -3.357 3.084 2.340 1.00 0.00 WT3 H ATOM 36435 H2 TIP3 436 18.906 -7.883 2.490 1.00 0.00 WT3 H ATOM 36436 OH2 TIP3 437 3.669 0.256 1.381 1.00 0.00 WT3 O ATOM 36437 H1 TIP3 437 23.908 14.807 -9.073 1.00 0.00 WT3 H ATOM 36438 H2 TIP3 437 15.263 7.227 6.089 1.00 0.00 WT3 H ATOM 36439 OH2 TIP3 438 0.579 5.055 7.275 1.00 0.00 WT3 O ATOM 36440 H1 TIP3 438 -3.725 6.511 7.791 1.00 0.00 WT3 H ATOM 36441 H2 TIP3 438 0.673 -0.689 20.545 1.00 0.00 WT3 H ATOM 36442 OH2 TIP3 440 2.403 -4.577 8.463 1.00 0.00 WT3 O ATOM 36443 H1 TIP3 440 8.253 -3.103 5.040 1.00 0.00 WT3 H ATOM 36444 H2 TIP3 440 8.587 -2.165 14.572 1.00 0.00 WT3 H ATOM 36445 OH2 TIP3 441 -0.831 0.409 6.732 1.00 0.00 WT3 O ATOM 36446 H1 TIP3 441 5.433 32.857 1.780 1.00 0.00 WT3 H ATOM 36447 H2 TIP3 441 -13.762 -27.859 -3.172 1.00 0.00 WT3 H ATOM 36448 OH2 TIP3 442 4.909 -5.490 -5.262 1.00 0.00 WT3 O ATOM 36449 H1 TIP3 442 12.033 10.751 4.042 1.00 0.00 WT3 H ATOM 36450 H2 TIP3 442 19.808 -15.862 -7.118 1.00 0.00 WT3 H ATOM 36451 OH2 TIP3 443 -3.134 -0.419 2.911 1.00 0.00 WT3 O ATOM 36452 H1 TIP3 443 -14.098 12.560 1.583 1.00 0.00 WT3 H ATOM 36453 H2 TIP3 443 -1.609 0.609 3.579 1.00 0.00 WT3 H ATOM 36454 OH2 TIP3 444 0.073 0.100 -2.912 1.00 0.00 WT3 O ATOM 36455 H1 TIP3 444 13.612 19.151 -1.146 1.00 0.00 WT3 H ATOM 36456 H2 TIP3 444 12.608 13.772 14.981 1.00 0.00 WT3 H ATOM 36457 OH2 TIP3 447 4.088 -5.988 1.099 1.00 0.00 WT3 O ATOM 36458 H1 TIP3 447 3.207 -5.491 1.013 1.00 0.00 WT3 H ATOM 36459 H2 TIP3 447 1.736 11.019 17.514 1.00 0.00 WT3 H ATOM 36460 OH2 TIP3 449 4.084 0.192 2.280 1.00 0.00 WT3 O ATOM 36461 H1 TIP3 449 2.002 -4.025 -0.796 1.00 0.00 WT3 H ATOM 36462 H2 TIP3 449 7.549 0.555 3.679 1.00 0.00 WT3 H ATOM 36463 OH2 TIP3 450 0.810 -0.108 5.014 1.00 0.00 WT3 O ATOM 36464 H1 TIP3 450 -11.428 6.234 3.321 1.00 0.00 WT3 H ATOM 36465 H2 TIP3 450 2.612 1.047 15.779 1.00 0.00 WT3 H ATOM 36466 OH2 TIP3 451 5.182 0.400 -6.532 1.00 0.00 WT3 O ATOM 36467 H1 TIP3 451 -4.539 -4.391 -7.863 1.00 0.00 WT3 H ATOM 36468 H2 TIP3 451 -8.993 4.541 -4.903 1.00 0.00 WT3 H ATOM 36469 OH2 TIP3 452 -3.937 -0.155 2.776 1.00 0.00 WT3 O ATOM 36470 H1 TIP3 452 33.110 3.586 4.166 1.00 0.00 WT3 H ATOM 36471 H2 TIP3 452 -7.579 3.489 -16.350 1.00 0.00 WT3 H ATOM 36472 OH2 TIP3 453 -1.404 -6.218 -5.858 1.00 0.00 WT3 O ATOM 36473 H1 TIP3 453 9.321 7.798 9.176 1.00 0.00 WT3 H ATOM 36474 H2 TIP3 453 8.699 -2.573 -23.298 1.00 0.00 WT3 H ATOM 36475 OH2 TIP3 455 -0.472 3.309 1.423 1.00 0.00 WT3 O ATOM 36476 H1 TIP3 455 -2.544 -4.276 8.561 1.00 0.00 WT3 H ATOM 36477 H2 TIP3 455 4.665 10.344 6.605 1.00 0.00 WT3 H ATOM 36478 OH2 TIP3 457 3.574 2.476 6.863 1.00 0.00 WT3 O ATOM 36479 H1 TIP3 457 16.919 21.150 1.841 1.00 0.00 WT3 H ATOM 36480 H2 TIP3 457 6.321 -13.420 -15.296 1.00 0.00 WT3 H ATOM 36481 OH2 TIP3 458 4.110 -7.638 -4.349 1.00 0.00 WT3 O ATOM 36482 H1 TIP3 458 6.714 18.099 -13.980 1.00 0.00 WT3 H ATOM 36483 H2 TIP3 458 12.354 -2.175 -11.999 1.00 0.00 WT3 H ATOM 36484 OH2 TIP3 459 2.511 -0.120 -2.914 1.00 0.00 WT3 O ATOM 36485 H1 TIP3 459 2.639 2.586 -6.541 1.00 0.00 WT3 H ATOM 36486 H2 TIP3 459 12.461 17.012 3.337 1.00 0.00 WT3 H ATOM 36487 OH2 TIP3 461 1.923 6.106 1.760 1.00 0.00 WT3 O ATOM 36488 H1 TIP3 461 6.784 5.916 10.355 1.00 0.00 WT3 H ATOM 36489 H2 TIP3 461 26.044 19.193 -12.533 1.00 0.00 WT3 H ATOM 36490 OH2 TIP3 462 0.300 0.304 -7.315 1.00 0.00 WT3 O ATOM 36491 H1 TIP3 462 0.586 6.342 -21.734 1.00 0.00 WT3 H ATOM 36492 H2 TIP3 462 -9.909 6.908 7.188 1.00 0.00 WT3 H ATOM 36493 OH2 TIP3 463 5.587 5.283 2.634 1.00 0.00 WT3 O ATOM 36494 H1 TIP3 463 -10.594 -3.464 15.065 1.00 0.00 WT3 H ATOM 36495 H2 TIP3 463 -10.027 -14.139 11.138 1.00 0.00 WT3 H ATOM 36496 OH2 TIP3 465 3.757 3.001 -1.908 1.00 0.00 WT3 O ATOM 36497 H1 TIP3 465 -3.688 8.620 9.083 1.00 0.00 WT3 H ATOM 36498 H2 TIP3 465 1.909 -27.674 -10.847 1.00 0.00 WT3 H ATOM 36499 OH2 TIP3 466 0.831 -0.530 3.016 1.00 0.00 WT3 O ATOM 36500 H1 TIP3 466 20.611 -12.848 18.012 1.00 0.00 WT3 H ATOM 36501 H2 TIP3 466 -21.113 8.589 -5.690 1.00 0.00 WT3 H ATOM 36502 OH2 TIP3 467 -6.587 8.493 -2.504 1.00 0.00 WT3 O ATOM 36503 H1 TIP3 467 -17.829 5.482 -21.501 1.00 0.00 WT3 H ATOM 36504 H2 TIP3 467 -22.460 -15.565 -12.871 1.00 0.00 WT3 H ATOM 36505 OH2 TIP3 469 -6.058 4.991 -2.645 1.00 0.00 WT3 O ATOM 36506 H1 TIP3 469 10.301 -5.601 -7.921 1.00 0.00 WT3 H ATOM 36507 H2 TIP3 469 -24.578 -17.881 1.237 1.00 0.00 WT3 H ATOM 36508 OH2 TIP3 473 -6.439 1.800 -2.286 1.00 0.00 WT3 O ATOM 36509 H1 TIP3 473 2.315 -11.739 -6.509 1.00 0.00 WT3 H ATOM 36510 H2 TIP3 473 -16.683 19.552 2.878 1.00 0.00 WT3 H ATOM 36511 OH2 TIP3 474 -1.559 2.508 4.392 1.00 0.00 WT3 O ATOM 36512 H1 TIP3 474 -2.636 -6.896 0.785 1.00 0.00 WT3 H ATOM 36513 H2 TIP3 474 -8.157 6.905 23.334 1.00 0.00 WT3 H ATOM 36514 OH2 TIP3 478 2.117 -1.328 -0.062 1.00 0.00 WT3 O ATOM 36515 H1 TIP3 478 -4.886 21.017 -1.568 1.00 0.00 WT3 H ATOM 36516 H2 TIP3 478 6.040 -2.501 7.408 1.00 0.00 WT3 H ATOM 36517 OH2 TIP3 479 7.118 1.450 0.385 1.00 0.00 WT3 O ATOM 36518 H1 TIP3 479 3.834 9.045 12.107 1.00 0.00 WT3 H ATOM 36519 H2 TIP3 479 -0.712 14.684 0.820 1.00 0.00 WT3 H ATOM 36520 OH2 TIP3 484 -1.751 1.524 -1.243 1.00 0.00 WT3 O ATOM 36521 H1 TIP3 484 -14.943 -9.978 -14.840 1.00 0.00 WT3 H ATOM 36522 H2 TIP3 484 -7.269 -19.472 16.412 1.00 0.00 WT3 H ATOM 36523 OH2 TIP3 485 10.609 -1.610 2.468 1.00 0.00 WT3 O ATOM 36524 H1 TIP3 485 0.353 50.055 -8.736 1.00 0.00 WT3 H ATOM 36525 H2 TIP3 485 10.651 22.164 -2.331 1.00 0.00 WT3 H ATOM 36526 OH2 TIP3 486 -8.442 -3.500 -3.238 1.00 0.00 WT3 O ATOM 36527 H1 TIP3 486 2.294 -11.264 18.868 1.00 0.00 WT3 H ATOM 36528 H2 TIP3 486 1.852 -15.548 -16.643 1.00 0.00 WT3 H ATOM 36529 OH2 TIP3 487 9.342 -8.757 -3.492 1.00 0.00 WT3 O ATOM 36530 H1 TIP3 487 14.096 0.822 -4.789 1.00 0.00 WT3 H ATOM 36531 H2 TIP3 487 7.148 -18.755 -0.559 1.00 0.00 WT3 H ATOM 36532 OH2 TIP3 488 5.864 1.124 -4.982 1.00 0.00 WT3 O ATOM 36533 H1 TIP3 488 -6.281 5.689 -14.029 1.00 0.00 WT3 H ATOM 36534 H2 TIP3 488 -3.546 1.797 -12.757 1.00 0.00 WT3 H ATOM 36535 OH2 TIP3 489 2.786 -3.017 -3.484 1.00 0.00 WT3 O ATOM 36536 H1 TIP3 489 0.693 -9.188 -5.261 1.00 0.00 WT3 H ATOM 36537 H2 TIP3 489 -2.174 -0.878 3.539 1.00 0.00 WT3 H ATOM 36538 OH2 TIP3 490 0.235 6.016 -9.068 1.00 0.00 WT3 O ATOM 36539 H1 TIP3 490 18.627 3.460 -11.080 1.00 0.00 WT3 H ATOM 36540 H2 TIP3 490 -7.641 -9.316 14.818 1.00 0.00 WT3 H ATOM 36541 OH2 TIP3 491 1.539 -1.286 1.381 1.00 0.00 WT3 O ATOM 36542 H1 TIP3 491 2.020 -12.133 18.710 1.00 0.00 WT3 H ATOM 36543 H2 TIP3 491 3.763 11.568 -22.131 1.00 0.00 WT3 H ATOM 36544 OH2 TIP3 492 -3.901 -2.286 -1.168 1.00 0.00 WT3 O ATOM 36545 H1 TIP3 492 -16.120 -2.701 -20.433 1.00 0.00 WT3 H ATOM 36546 H2 TIP3 492 -7.705 22.956 5.864 1.00 0.00 WT3 H ATOM 36547 OH2 TIP3 493 -1.372 -3.802 1.699 1.00 0.00 WT3 O ATOM 36548 H1 TIP3 493 12.369 1.655 -6.542 1.00 0.00 WT3 H ATOM 36549 H2 TIP3 493 -4.900 7.882 13.475 1.00 0.00 WT3 H ATOM 36550 OH2 TIP3 494 0.469 -6.303 -2.113 1.00 0.00 WT3 O ATOM 36551 H1 TIP3 494 -2.459 0.355 -7.043 1.00 0.00 WT3 H ATOM 36552 H2 TIP3 494 -3.521 -10.117 8.230 1.00 0.00 WT3 H ATOM 36553 OH2 TIP3 495 0.017 3.184 -2.026 1.00 0.00 WT3 O ATOM 36554 H1 TIP3 495 -22.081 6.807 1.801 1.00 0.00 WT3 H ATOM 36555 H2 TIP3 495 31.236 -2.581 -9.336 1.00 0.00 WT3 H ATOM 36556 OH2 TIP3 497 -2.939 -1.838 3.352 1.00 0.00 WT3 O ATOM 36557 H1 TIP3 497 0.499 -3.274 -10.484 1.00 0.00 WT3 H ATOM 36558 H2 TIP3 497 -0.998 -12.616 -14.250 1.00 0.00 WT3 H ATOM 36559 OH2 TIP3 498 -1.013 -2.359 4.857 1.00 0.00 WT3 O ATOM 36560 H1 TIP3 498 18.963 -10.965 6.094 1.00 0.00 WT3 H ATOM 36561 H2 TIP3 498 1.911 -4.547 6.596 1.00 0.00 WT3 H ATOM 36562 OH2 TIP3 499 -12.345 -3.793 -3.313 1.00 0.00 WT3 O ATOM 36563 H1 TIP3 499 -13.955 -9.574 -4.940 1.00 0.00 WT3 H ATOM 36564 H2 TIP3 499 -13.723 0.492 -7.504 1.00 0.00 WT3 H ATOM 36565 OH2 TIP3 500 -1.958 4.101 -0.480 1.00 0.00 WT3 O ATOM 36566 H1 TIP3 500 -2.265 -6.526 2.633 1.00 0.00 WT3 H ATOM 36567 H2 TIP3 500 0.601 13.166 -2.159 1.00 0.00 WT3 H ATOM 36568 OH2 TIP3 501 2.536 -5.577 3.592 1.00 0.00 WT3 O ATOM 36569 H1 TIP3 501 5.967 -1.297 4.265 1.00 0.00 WT3 H ATOM 36570 H2 TIP3 501 -10.075 12.881 24.727 1.00 0.00 WT3 H ATOM 36571 OH2 TIP3 502 -0.745 4.467 1.065 1.00 0.00 WT3 O ATOM 36572 H1 TIP3 502 -2.031 -4.533 -4.665 1.00 0.00 WT3 H ATOM 36573 H2 TIP3 502 5.189 0.004 -0.583 1.00 0.00 WT3 H ATOM 36574 OH2 TIP3 503 0.224 -2.008 1.356 1.00 0.00 WT3 O ATOM 36575 H1 TIP3 503 16.080 6.993 3.512 1.00 0.00 WT3 H ATOM 36576 H2 TIP3 503 -1.082 -9.370 9.190 1.00 0.00 WT3 H ATOM 36577 OH2 TIP3 504 1.508 1.203 1.133 1.00 0.00 WT3 O ATOM 36578 H1 TIP3 504 8.504 29.587 -9.540 1.00 0.00 WT3 H ATOM 36579 H2 TIP3 504 -6.084 4.133 -24.315 1.00 0.00 WT3 H ATOM 36580 OH2 TIP3 505 -3.202 -1.576 -2.550 1.00 0.00 WT3 O ATOM 36581 H1 TIP3 505 12.695 -16.633 2.629 1.00 0.00 WT3 H ATOM 36582 H2 TIP3 505 7.071 -3.187 -4.901 1.00 0.00 WT3 H ATOM 36583 OH2 TIP3 506 -3.656 0.275 -0.660 1.00 0.00 WT3 O ATOM 36584 H1 TIP3 506 3.146 -0.810 -2.747 1.00 0.00 WT3 H ATOM 36585 H2 TIP3 506 15.771 -5.957 0.427 1.00 0.00 WT3 H ATOM 36586 OH2 TIP3 507 -1.125 -11.190 2.314 1.00 0.00 WT3 O ATOM 36587 H1 TIP3 507 -1.186 -9.870 3.015 1.00 0.00 WT3 H ATOM 36588 H2 TIP3 507 2.924 15.696 2.700 1.00 0.00 WT3 H ATOM 36589 OH2 TIP3 508 -3.150 2.246 0.517 1.00 0.00 WT3 O ATOM 36590 H1 TIP3 508 10.004 -8.746 -12.694 1.00 0.00 WT3 H ATOM 36591 H2 TIP3 508 -15.838 -5.020 -6.349 1.00 0.00 WT3 H ATOM 36592 OH2 TIP3 509 0.579 2.681 -2.440 1.00 0.00 WT3 O ATOM 36593 H1 TIP3 509 -0.535 -3.628 -24.910 1.00 0.00 WT3 H ATOM 36594 H2 TIP3 509 2.095 -5.036 -6.933 1.00 0.00 WT3 H ATOM 36595 OH2 TIP3 510 4.210 -0.473 2.825 1.00 0.00 WT3 O ATOM 36596 H1 TIP3 510 33.455 12.651 -12.555 1.00 0.00 WT3 H ATOM 36597 H2 TIP3 510 -8.636 14.891 -2.405 1.00 0.00 WT3 H ATOM 36598 OH2 TIP3 511 -2.796 -7.879 -3.048 1.00 0.00 WT3 O ATOM 36599 H1 TIP3 511 -15.873 19.428 -3.233 1.00 0.00 WT3 H ATOM 36600 H2 TIP3 511 -7.075 1.331 12.120 1.00 0.00 WT3 H ATOM 36601 OH2 TIP3 512 -2.298 -3.474 1.570 1.00 0.00 WT3 O ATOM 36602 H1 TIP3 512 2.032 -10.516 14.125 1.00 0.00 WT3 H ATOM 36603 H2 TIP3 512 -10.259 0.208 -10.791 1.00 0.00 WT3 H ATOM 36604 OH2 TIP3 513 0.838 4.172 0.141 1.00 0.00 WT3 O ATOM 36605 H1 TIP3 513 -10.892 1.311 1.266 1.00 0.00 WT3 H ATOM 36606 H2 TIP3 513 -6.568 3.379 -0.848 1.00 0.00 WT3 H ATOM 36607 OH2 TIP3 514 5.175 -3.864 -1.594 1.00 0.00 WT3 O ATOM 36608 H1 TIP3 514 -9.822 -20.034 8.129 1.00 0.00 WT3 H ATOM 36609 H2 TIP3 514 11.008 8.006 15.700 1.00 0.00 WT3 H ATOM 36610 OH2 TIP3 515 -1.963 1.531 8.641 1.00 0.00 WT3 O ATOM 36611 H1 TIP3 515 -5.535 1.582 16.046 1.00 0.00 WT3 H ATOM 36612 H2 TIP3 515 -0.493 -1.812 3.965 1.00 0.00 WT3 H ATOM 36613 OH2 TIP3 516 -3.368 -1.621 -4.141 1.00 0.00 WT3 O ATOM 36614 H1 TIP3 516 -0.722 0.726 16.952 1.00 0.00 WT3 H ATOM 36615 H2 TIP3 516 -11.156 -1.289 -25.648 1.00 0.00 WT3 H ATOM 36616 OH2 TIP3 517 -0.538 -1.931 6.947 1.00 0.00 WT3 O ATOM 36617 H1 TIP3 517 -1.235 -0.602 8.746 1.00 0.00 WT3 H ATOM 36618 H2 TIP3 517 16.936 -13.360 19.946 1.00 0.00 WT3 H ATOM 36619 OH2 TIP3 518 -4.180 -0.279 -2.935 1.00 0.00 WT3 O ATOM 36620 H1 TIP3 518 -2.578 15.386 -10.362 1.00 0.00 WT3 H ATOM 36621 H2 TIP3 518 -3.148 -11.782 -0.405 1.00 0.00 WT3 H ATOM 36622 OH2 TIP3 519 2.237 -1.396 -6.316 1.00 0.00 WT3 O ATOM 36623 H1 TIP3 519 -4.607 11.983 -1.491 1.00 0.00 WT3 H ATOM 36624 H2 TIP3 519 5.727 -6.342 6.350 1.00 0.00 WT3 H ATOM 36625 OH2 TIP3 522 -1.869 0.062 3.676 1.00 0.00 WT3 O ATOM 36626 H1 TIP3 522 -24.558 -2.747 1.622 1.00 0.00 WT3 H ATOM 36627 H2 TIP3 522 30.363 -10.150 7.506 1.00 0.00 WT3 H ATOM 36628 OH2 TIP3 523 -4.293 0.078 5.587 1.00 0.00 WT3 O ATOM 36629 H1 TIP3 523 -15.261 11.138 -1.851 1.00 0.00 WT3 H ATOM 36630 H2 TIP3 523 -16.128 4.511 12.030 1.00 0.00 WT3 H ATOM 36631 OH2 TIP3 524 -0.791 -5.886 -3.731 1.00 0.00 WT3 O ATOM 36632 H1 TIP3 524 -9.279 3.814 -0.840 1.00 0.00 WT3 H ATOM 36633 H2 TIP3 524 -6.527 -11.558 -7.304 1.00 0.00 WT3 H ATOM 36634 OH2 TIP3 525 5.757 -3.097 3.086 1.00 0.00 WT3 O ATOM 36635 H1 TIP3 525 -2.158 -15.106 -0.663 1.00 0.00 WT3 H ATOM 36636 H2 TIP3 525 -14.067 9.258 3.947 1.00 0.00 WT3 H ATOM 36637 OH2 TIP3 526 -4.613 -6.350 6.490 1.00 0.00 WT3 O ATOM 36638 H1 TIP3 526 -4.028 -8.762 4.549 1.00 0.00 WT3 H ATOM 36639 H2 TIP3 526 -5.639 -11.407 9.857 1.00 0.00 WT3 H ATOM 36640 OH2 TIP3 527 0.049 -1.624 1.807 1.00 0.00 WT3 O ATOM 36641 H1 TIP3 527 -3.179 1.517 -19.037 1.00 0.00 WT3 H ATOM 36642 H2 TIP3 527 -11.051 9.365 8.410 1.00 0.00 WT3 H ATOM 36643 OH2 TIP3 528 -12.466 1.180 1.131 1.00 0.00 WT3 O ATOM 36644 H1 TIP3 528 -5.576 3.047 1.744 1.00 0.00 WT3 H ATOM 36645 H2 TIP3 528 9.413 3.349 5.071 1.00 0.00 WT3 H ATOM 36646 OH2 TIP3 529 0.959 1.349 1.693 1.00 0.00 WT3 O ATOM 36647 H1 TIP3 529 3.962 4.750 12.277 1.00 0.00 WT3 H ATOM 36648 H2 TIP3 529 -6.797 10.102 -2.177 1.00 0.00 WT3 H ATOM 36649 OH2 TIP3 530 3.651 1.181 2.532 1.00 0.00 WT3 O ATOM 36650 H1 TIP3 530 -8.058 7.253 10.987 1.00 0.00 WT3 H ATOM 36651 H2 TIP3 530 -0.603 -32.440 -25.491 1.00 0.00 WT3 H ATOM 36652 OH2 TIP3 532 5.645 1.531 -2.852 1.00 0.00 WT3 O ATOM 36653 H1 TIP3 532 -17.564 29.058 -6.206 1.00 0.00 WT3 H ATOM 36654 H2 TIP3 532 -17.943 -21.231 15.598 1.00 0.00 WT3 H ATOM 36655 OH2 TIP3 533 -0.727 -4.537 -0.049 1.00 0.00 WT3 O ATOM 36656 H1 TIP3 533 22.812 -19.225 28.438 1.00 0.00 WT3 H ATOM 36657 H2 TIP3 533 15.910 -8.978 -7.962 1.00 0.00 WT3 H ATOM 36658 OH2 TIP3 534 1.489 1.312 -2.882 1.00 0.00 WT3 O ATOM 36659 H1 TIP3 534 -11.637 5.464 10.704 1.00 0.00 WT3 H ATOM 36660 H2 TIP3 534 8.336 -7.398 -0.040 1.00 0.00 WT3 H ATOM 36661 OH2 TIP3 535 -7.249 1.994 1.828 1.00 0.00 WT3 O ATOM 36662 H1 TIP3 535 -10.526 -5.927 13.257 1.00 0.00 WT3 H ATOM 36663 H2 TIP3 535 -18.045 -0.577 -6.915 1.00 0.00 WT3 H ATOM 36664 OH2 TIP3 536 -5.533 3.755 -5.219 1.00 0.00 WT3 O ATOM 36665 H1 TIP3 536 -12.156 4.833 8.942 1.00 0.00 WT3 H ATOM 36666 H2 TIP3 536 -11.615 -14.952 -3.824 1.00 0.00 WT3 H ATOM 36667 OH2 TIP3 538 -1.384 -1.651 -1.902 1.00 0.00 WT3 O ATOM 36668 H1 TIP3 538 -12.152 2.741 -7.215 1.00 0.00 WT3 H ATOM 36669 H2 TIP3 538 11.358 5.649 10.749 1.00 0.00 WT3 H ATOM 36670 OH2 TIP3 539 -0.121 2.380 4.602 1.00 0.00 WT3 O ATOM 36671 H1 TIP3 539 2.244 4.604 3.244 1.00 0.00 WT3 H ATOM 36672 H2 TIP3 539 -10.259 -19.030 12.251 1.00 0.00 WT3 H ATOM 36673 OH2 TIP3 540 0.055 -0.101 1.945 1.00 0.00 WT3 O ATOM 36674 H1 TIP3 540 7.562 1.676 14.160 1.00 0.00 WT3 H ATOM 36675 H2 TIP3 540 -7.378 -10.935 4.225 1.00 0.00 WT3 H ATOM 36676 OH2 TIP3 541 1.563 -2.594 -6.785 1.00 0.00 WT3 O ATOM 36677 H1 TIP3 541 -8.123 7.262 3.994 1.00 0.00 WT3 H ATOM 36678 H2 TIP3 541 -0.318 7.860 -28.326 1.00 0.00 WT3 H ATOM 36679 OH2 TIP3 542 -2.281 -4.642 -5.346 1.00 0.00 WT3 O ATOM 36680 H1 TIP3 542 -17.297 6.276 -11.072 1.00 0.00 WT3 H ATOM 36681 H2 TIP3 542 -0.908 -12.952 6.916 1.00 0.00 WT3 H ATOM 36682 OH2 TIP3 543 2.239 1.067 1.385 1.00 0.00 WT3 O ATOM 36683 H1 TIP3 543 -5.472 4.670 3.459 1.00 0.00 WT3 H ATOM 36684 H2 TIP3 543 -7.473 14.619 0.602 1.00 0.00 WT3 H ATOM 36685 OH2 TIP3 544 4.093 -1.315 1.155 1.00 0.00 WT3 O ATOM 36686 H1 TIP3 544 -9.949 -0.662 -15.774 1.00 0.00 WT3 H ATOM 36687 H2 TIP3 544 1.692 17.195 19.306 1.00 0.00 WT3 H ATOM 36688 OH2 TIP3 546 2.262 1.894 -0.714 1.00 0.00 WT3 O ATOM 36689 H1 TIP3 546 -5.549 26.933 -41.370 1.00 0.00 WT3 H ATOM 36690 H2 TIP3 546 29.353 -6.678 -3.803 1.00 0.00 WT3 H ATOM 36691 OH2 TIP3 547 4.675 -0.157 2.597 1.00 0.00 WT3 O ATOM 36692 H1 TIP3 547 32.541 -19.598 -12.747 1.00 0.00 WT3 H ATOM 36693 H2 TIP3 547 -12.231 12.977 10.596 1.00 0.00 WT3 H ATOM 36694 OH2 TIP3 549 -1.607 -6.613 4.511 1.00 0.00 WT3 O ATOM 36695 H1 TIP3 549 -4.506 -14.338 -14.180 1.00 0.00 WT3 H ATOM 36696 H2 TIP3 549 -1.094 11.528 5.962 1.00 0.00 WT3 H ATOM 36697 OH2 TIP3 550 -3.007 4.920 -6.126 1.00 0.00 WT3 O ATOM 36698 H1 TIP3 550 1.950 -13.564 38.743 1.00 0.00 WT3 H ATOM 36699 H2 TIP3 550 30.905 3.032 11.009 1.00 0.00 WT3 H ATOM 36700 OH2 TIP3 551 1.641 -3.266 -0.933 1.00 0.00 WT3 O ATOM 36701 H1 TIP3 551 9.971 -18.280 3.121 1.00 0.00 WT3 H ATOM 36702 H2 TIP3 551 8.127 17.301 2.626 1.00 0.00 WT3 H ATOM 36703 OH2 TIP3 552 -2.761 -2.727 -0.626 1.00 0.00 WT3 O ATOM 36704 H1 TIP3 552 -18.399 -5.568 -11.225 1.00 0.00 WT3 H ATOM 36705 H2 TIP3 552 -11.050 14.202 14.082 1.00 0.00 WT3 H ATOM 36706 OH2 TIP3 553 1.566 4.771 -3.713 1.00 0.00 WT3 O ATOM 36707 H1 TIP3 553 -4.008 11.985 -13.326 1.00 0.00 WT3 H ATOM 36708 H2 TIP3 553 -3.696 -8.927 -1.822 1.00 0.00 WT3 H ATOM 36709 OH2 TIP3 554 -5.376 -0.695 3.323 1.00 0.00 WT3 O ATOM 36710 H1 TIP3 554 -8.560 0.521 -5.150 1.00 0.00 WT3 H ATOM 36711 H2 TIP3 554 34.563 -9.918 10.582 1.00 0.00 WT3 H ATOM 36712 OH2 TIP3 555 -4.792 0.991 2.734 1.00 0.00 WT3 O ATOM 36713 H1 TIP3 555 0.897 -17.167 -1.788 1.00 0.00 WT3 H ATOM 36714 H2 TIP3 555 -3.012 10.998 -13.404 1.00 0.00 WT3 H ATOM 36715 OH2 TIP3 556 -1.828 2.161 -0.329 1.00 0.00 WT3 O ATOM 36716 H1 TIP3 556 18.528 1.612 -3.056 1.00 0.00 WT3 H ATOM 36717 H2 TIP3 556 -14.941 -4.360 8.583 1.00 0.00 WT3 H ATOM 36718 OH2 TIP3 558 3.994 1.730 1.833 1.00 0.00 WT3 O ATOM 36719 H1 TIP3 558 12.258 -9.563 -15.014 1.00 0.00 WT3 H ATOM 36720 H2 TIP3 558 3.963 25.501 4.855 1.00 0.00 WT3 H ATOM 36721 OH2 TIP3 559 4.898 -0.951 8.109 1.00 0.00 WT3 O ATOM 36722 H1 TIP3 559 9.891 0.092 4.887 1.00 0.00 WT3 H ATOM 36723 H2 TIP3 559 -15.577 -4.383 19.792 1.00 0.00 WT3 H ATOM 36724 OH2 TIP3 560 -2.770 -3.510 2.417 1.00 0.00 WT3 O ATOM 36725 H1 TIP3 560 9.078 17.416 9.800 1.00 0.00 WT3 H ATOM 36726 H2 TIP3 560 0.292 -3.304 -6.328 1.00 0.00 WT3 H ATOM 36727 OH2 TIP3 561 2.134 5.922 -3.750 1.00 0.00 WT3 O ATOM 36728 H1 TIP3 561 4.126 7.224 -0.962 1.00 0.00 WT3 H ATOM 36729 H2 TIP3 561 -10.615 2.111 -8.570 1.00 0.00 WT3 H ATOM 36730 OH2 TIP3 562 4.085 -1.123 3.075 1.00 0.00 WT3 O ATOM 36731 H1 TIP3 562 5.784 4.983 7.326 1.00 0.00 WT3 H ATOM 36732 H2 TIP3 562 14.125 -6.455 5.707 1.00 0.00 WT3 H ATOM 36733 OH2 TIP3 563 -3.946 5.207 -3.095 1.00 0.00 WT3 O ATOM 36734 H1 TIP3 563 15.125 -23.504 16.048 1.00 0.00 WT3 H ATOM 36735 H2 TIP3 563 15.059 -4.573 -0.603 1.00 0.00 WT3 H ATOM 36736 OH2 TIP3 564 -3.184 1.585 -0.158 1.00 0.00 WT3 O ATOM 36737 H1 TIP3 564 -3.725 17.283 -24.479 1.00 0.00 WT3 H ATOM 36738 H2 TIP3 564 19.679 2.565 -8.708 1.00 0.00 WT3 H ATOM 36739 OH2 TIP3 565 9.093 -3.158 7.200 1.00 0.00 WT3 O ATOM 36740 H1 TIP3 565 -16.440 -7.088 -26.862 1.00 0.00 WT3 H ATOM 36741 H2 TIP3 565 2.686 -4.378 8.191 1.00 0.00 WT3 H ATOM 36742 OH2 TIP3 568 8.931 -4.971 -1.198 1.00 0.00 WT3 O ATOM 36743 H1 TIP3 568 11.677 5.395 8.832 1.00 0.00 WT3 H ATOM 36744 H2 TIP3 568 9.658 -12.800 -4.653 1.00 0.00 WT3 H ATOM 36745 OH2 TIP3 569 2.611 3.627 -2.568 1.00 0.00 WT3 O ATOM 36746 H1 TIP3 569 -3.554 -2.440 -20.031 1.00 0.00 WT3 H ATOM 36747 H2 TIP3 569 3.875 -14.212 -1.517 1.00 0.00 WT3 H ATOM 36748 OH2 TIP3 571 4.831 0.158 7.031 1.00 0.00 WT3 O ATOM 36749 H1 TIP3 571 1.592 16.299 10.792 1.00 0.00 WT3 H ATOM 36750 H2 TIP3 571 7.359 -13.829 1.459 1.00 0.00 WT3 H ATOM 36751 OH2 TIP3 572 0.318 -3.283 -2.868 1.00 0.00 WT3 O ATOM 36752 H1 TIP3 572 2.130 13.441 8.499 1.00 0.00 WT3 H ATOM 36753 H2 TIP3 572 4.340 -12.121 1.074 1.00 0.00 WT3 H ATOM 36754 OH2 TIP3 573 3.047 5.716 -5.619 1.00 0.00 WT3 O ATOM 36755 H1 TIP3 573 2.718 5.091 -6.592 1.00 0.00 WT3 H ATOM 36756 H2 TIP3 573 3.460 1.052 -4.256 1.00 0.00 WT3 H ATOM 36757 OH2 TIP3 574 -2.520 -2.234 5.234 1.00 0.00 WT3 O ATOM 36758 H1 TIP3 574 4.433 -5.420 -8.935 1.00 0.00 WT3 H ATOM 36759 H2 TIP3 574 -9.861 12.270 6.288 1.00 0.00 WT3 H ATOM 36760 OH2 TIP3 575 -3.706 -0.750 -3.587 1.00 0.00 WT3 O ATOM 36761 H1 TIP3 575 13.750 -12.177 6.509 1.00 0.00 WT3 H ATOM 36762 H2 TIP3 575 -9.650 4.244 -7.831 1.00 0.00 WT3 H ATOM 36763 OH2 TIP3 576 -0.673 2.629 0.358 1.00 0.00 WT3 O ATOM 36764 H1 TIP3 576 -8.466 7.074 2.227 1.00 0.00 WT3 H ATOM 36765 H2 TIP3 576 1.242 -2.490 0.951 1.00 0.00 WT3 H ATOM 36766 OH2 TIP3 577 -1.999 5.478 -2.630 1.00 0.00 WT3 O ATOM 36767 H1 TIP3 577 5.441 18.736 0.511 1.00 0.00 WT3 H ATOM 36768 H2 TIP3 577 5.844 -0.798 -14.138 1.00 0.00 WT3 H ATOM 36769 OH2 TIP3 578 -5.405 -10.954 -0.662 1.00 0.00 WT3 O ATOM 36770 H1 TIP3 578 -0.907 -8.816 -1.410 1.00 0.00 WT3 H ATOM 36771 H2 TIP3 578 -2.574 -9.248 -1.398 1.00 0.00 WT3 H ATOM 36772 OH2 TIP3 579 -1.180 -1.352 -1.506 1.00 0.00 WT3 O ATOM 36773 H1 TIP3 579 -16.765 -4.924 -5.373 1.00 0.00 WT3 H ATOM 36774 H2 TIP3 579 21.954 1.638 4.285 1.00 0.00 WT3 H ATOM 36775 OH2 TIP3 580 -3.263 -2.880 -0.801 1.00 0.00 WT3 O ATOM 36776 H1 TIP3 580 -2.668 11.687 -26.929 1.00 0.00 WT3 H ATOM 36777 H2 TIP3 580 0.057 -17.283 -19.579 1.00 0.00 WT3 H ATOM 36778 OH2 TIP3 581 -1.750 8.801 -3.394 1.00 0.00 WT3 O ATOM 36779 H1 TIP3 581 -1.353 11.823 -3.875 1.00 0.00 WT3 H ATOM 36780 H2 TIP3 581 5.519 4.811 -2.153 1.00 0.00 WT3 H ATOM 36781 OH2 TIP3 582 -3.001 -1.682 3.001 1.00 0.00 WT3 O ATOM 36782 H1 TIP3 582 -6.310 9.010 -7.140 1.00 0.00 WT3 H ATOM 36783 H2 TIP3 582 -0.674 2.119 5.160 1.00 0.00 WT3 H ATOM 36784 OH2 TIP3 583 -0.696 -1.581 -1.378 1.00 0.00 WT3 O ATOM 36785 H1 TIP3 583 23.355 12.603 -3.100 1.00 0.00 WT3 H ATOM 36786 H2 TIP3 583 -12.720 -6.254 1.236 1.00 0.00 WT3 H ATOM 36787 OH2 TIP3 584 4.906 -0.009 -2.889 1.00 0.00 WT3 O ATOM 36788 H1 TIP3 584 -2.754 11.152 -17.570 1.00 0.00 WT3 H ATOM 36789 H2 TIP3 584 4.908 -18.106 -2.382 1.00 0.00 WT3 H ATOM 36790 OH2 TIP3 585 -2.397 7.489 -1.847 1.00 0.00 WT3 O ATOM 36791 H1 TIP3 585 2.404 -1.738 -5.668 1.00 0.00 WT3 H ATOM 36792 H2 TIP3 585 5.364 5.519 -3.517 1.00 0.00 WT3 H ATOM 36793 OH2 TIP3 586 7.077 6.400 -2.617 1.00 0.00 WT3 O ATOM 36794 H1 TIP3 586 -7.942 22.100 -8.019 1.00 0.00 WT3 H ATOM 36795 H2 TIP3 586 6.600 1.764 -10.542 1.00 0.00 WT3 H ATOM 36796 OH2 TIP3 587 1.429 -3.887 -0.057 1.00 0.00 WT3 O ATOM 36797 H1 TIP3 587 1.558 2.444 11.960 1.00 0.00 WT3 H ATOM 36798 H2 TIP3 587 14.145 -15.419 17.673 1.00 0.00 WT3 H ATOM 36799 OH2 TIP3 590 4.010 5.379 2.164 1.00 0.00 WT3 O ATOM 36800 H1 TIP3 590 6.789 10.273 5.174 1.00 0.00 WT3 H ATOM 36801 H2 TIP3 590 11.372 -21.181 -0.300 1.00 0.00 WT3 H ATOM 36802 OH2 TIP3 591 1.861 12.756 0.860 1.00 0.00 WT3 O ATOM 36803 H1 TIP3 591 -8.543 10.293 23.007 1.00 0.00 WT3 H ATOM 36804 H2 TIP3 591 -15.568 2.534 -15.052 1.00 0.00 WT3 H ATOM 36805 OH2 TIP3 592 0.528 -5.193 -3.554 1.00 0.00 WT3 O ATOM 36806 H1 TIP3 592 -5.737 0.585 0.633 1.00 0.00 WT3 H ATOM 36807 H2 TIP3 592 0.912 -13.592 2.911 1.00 0.00 WT3 H ATOM 36808 OH2 TIP3 593 1.099 -7.117 11.666 1.00 0.00 WT3 O ATOM 36809 H1 TIP3 593 2.409 17.341 -25.885 1.00 0.00 WT3 H ATOM 36810 H2 TIP3 593 10.617 32.478 20.034 1.00 0.00 WT3 H ATOM 36811 OH2 TIP3 594 1.836 0.948 -5.288 1.00 0.00 WT3 O ATOM 36812 H1 TIP3 594 7.576 -20.698 -36.928 1.00 0.00 WT3 H ATOM 36813 H2 TIP3 594 -7.406 -1.773 2.586 1.00 0.00 WT3 H ATOM 36814 OH2 TIP3 595 -1.637 4.747 2.024 1.00 0.00 WT3 O ATOM 36815 H1 TIP3 595 -11.050 -13.347 2.204 1.00 0.00 WT3 H ATOM 36816 H2 TIP3 595 15.382 9.399 20.393 1.00 0.00 WT3 H ATOM 36817 OH2 TIP3 597 3.708 0.022 3.674 1.00 0.00 WT3 O ATOM 36818 H1 TIP3 597 17.858 -4.233 6.122 1.00 0.00 WT3 H ATOM 36819 H2 TIP3 597 23.091 7.530 9.605 1.00 0.00 WT3 H ATOM 36820 OH2 TIP3 598 -1.817 4.786 3.295 1.00 0.00 WT3 O ATOM 36821 H1 TIP3 598 24.212 5.366 9.050 1.00 0.00 WT3 H ATOM 36822 H2 TIP3 598 -12.824 -5.660 10.667 1.00 0.00 WT3 H ATOM 36823 OH2 TIP3 599 5.862 0.462 -3.791 1.00 0.00 WT3 O ATOM 36824 H1 TIP3 599 4.081 -15.068 -2.079 1.00 0.00 WT3 H ATOM 36825 H2 TIP3 599 4.431 1.011 -1.816 1.00 0.00 WT3 H ATOM 36826 OH2 TIP3 601 -1.555 3.017 -0.544 1.00 0.00 WT3 O ATOM 36827 H1 TIP3 601 0.413 -14.499 -2.412 1.00 0.00 WT3 H ATOM 36828 H2 TIP3 601 -0.780 5.903 -2.912 1.00 0.00 WT3 H ATOM 36829 OH2 TIP3 602 2.334 -4.989 0.479 1.00 0.00 WT3 O ATOM 36830 H1 TIP3 602 -0.558 0.404 19.558 1.00 0.00 WT3 H ATOM 36831 H2 TIP3 602 7.051 -15.172 25.598 1.00 0.00 WT3 H ATOM 36832 OH2 TIP3 603 -5.618 -5.670 1.510 1.00 0.00 WT3 O ATOM 36833 H1 TIP3 603 14.383 27.550 3.571 1.00 0.00 WT3 H ATOM 36834 H2 TIP3 603 15.818 -4.547 -6.119 1.00 0.00 WT3 H ATOM 36835 OH2 TIP3 604 4.615 -1.230 -1.577 1.00 0.00 WT3 O ATOM 36836 H1 TIP3 604 -5.535 3.034 -5.854 1.00 0.00 WT3 H ATOM 36837 H2 TIP3 604 3.130 -6.389 -3.453 1.00 0.00 WT3 H ATOM 36838 OH2 TIP3 605 -2.169 2.669 -0.023 1.00 0.00 WT3 O ATOM 36839 H1 TIP3 605 0.422 12.314 -2.063 1.00 0.00 WT3 H ATOM 36840 H2 TIP3 605 -5.924 -11.945 1.952 1.00 0.00 WT3 H ATOM 36841 OH2 TIP3 606 1.113 -1.964 -6.689 1.00 0.00 WT3 O ATOM 36842 H1 TIP3 606 3.013 -27.063 12.387 1.00 0.00 WT3 H ATOM 36843 H2 TIP3 606 5.232 -14.175 4.731 1.00 0.00 WT3 H ATOM 36844 OH2 TIP3 607 5.391 -0.945 1.636 1.00 0.00 WT3 O ATOM 36845 H1 TIP3 607 0.222 2.284 5.912 1.00 0.00 WT3 H ATOM 36846 H2 TIP3 607 13.797 -11.419 6.678 1.00 0.00 WT3 H ATOM 36847 OH2 TIP3 609 -1.091 1.907 1.780 1.00 0.00 WT3 O ATOM 36848 H1 TIP3 609 -2.696 -2.683 -18.693 1.00 0.00 WT3 H ATOM 36849 H2 TIP3 609 20.823 11.307 4.373 1.00 0.00 WT3 H ATOM 36850 OH2 TIP3 612 3.928 -2.544 -3.662 1.00 0.00 WT3 O ATOM 36851 H1 TIP3 612 13.897 3.128 12.701 1.00 0.00 WT3 H ATOM 36852 H2 TIP3 612 26.113 -12.871 -13.932 1.00 0.00 WT3 H ATOM 36853 OH2 TIP3 613 -5.687 4.725 6.711 1.00 0.00 WT3 O ATOM 36854 H1 TIP3 613 -1.256 -0.312 5.317 1.00 0.00 WT3 H ATOM 36855 H2 TIP3 613 1.314 -17.017 -0.672 1.00 0.00 WT3 H ATOM 36856 OH2 TIP3 615 -2.356 4.066 5.196 1.00 0.00 WT3 O ATOM 36857 H1 TIP3 615 -1.133 4.724 -2.533 1.00 0.00 WT3 H ATOM 36858 H2 TIP3 615 -0.503 7.325 6.465 1.00 0.00 WT3 H ATOM 36859 OH2 TIP3 617 6.347 -0.818 -0.084 1.00 0.00 WT3 O ATOM 36860 H1 TIP3 617 10.478 0.951 -4.890 1.00 0.00 WT3 H ATOM 36861 H2 TIP3 617 -19.472 7.423 2.493 1.00 0.00 WT3 H ATOM 36862 OH2 TIP3 618 2.505 0.178 1.762 1.00 0.00 WT3 O ATOM 36863 H1 TIP3 618 -1.206 -3.457 4.755 1.00 0.00 WT3 H ATOM 36864 H2 TIP3 618 -7.722 6.373 2.137 1.00 0.00 WT3 H ATOM 36865 OH2 TIP3 620 12.022 -1.375 0.484 1.00 0.00 WT3 O ATOM 36866 H1 TIP3 620 -7.736 2.537 1.378 1.00 0.00 WT3 H ATOM 36867 H2 TIP3 620 4.874 1.687 -20.113 1.00 0.00 WT3 H ATOM 36868 OH2 TIP3 621 -2.053 -9.857 3.972 1.00 0.00 WT3 O ATOM 36869 H1 TIP3 621 11.151 -1.554 14.827 1.00 0.00 WT3 H ATOM 36870 H2 TIP3 621 -3.133 -18.467 6.060 1.00 0.00 WT3 H ATOM 36871 OH2 TIP3 623 -1.609 -0.644 -2.961 1.00 0.00 WT3 O ATOM 36872 H1 TIP3 623 -3.595 -3.773 1.520 1.00 0.00 WT3 H ATOM 36873 H2 TIP3 623 -1.432 2.096 -6.932 1.00 0.00 WT3 H ATOM 36874 OH2 TIP3 624 -0.861 6.905 -5.073 1.00 0.00 WT3 O ATOM 36875 H1 TIP3 624 -3.331 -0.020 -10.924 1.00 0.00 WT3 H ATOM 36876 H2 TIP3 624 4.334 17.560 3.727 1.00 0.00 WT3 H ATOM 36877 OH2 TIP3 625 -0.059 2.159 3.536 1.00 0.00 WT3 O ATOM 36878 H1 TIP3 625 -7.451 -15.088 -3.706 1.00 0.00 WT3 H ATOM 36879 H2 TIP3 625 3.335 10.948 6.949 1.00 0.00 WT3 H ATOM 36880 OH2 TIP3 626 1.979 6.341 -1.077 1.00 0.00 WT3 O ATOM 36881 H1 TIP3 626 2.080 6.592 -1.868 1.00 0.00 WT3 H ATOM 36882 H2 TIP3 626 5.882 10.003 -1.693 1.00 0.00 WT3 H ATOM 36883 OH2 TIP3 627 -0.885 -2.716 -2.549 1.00 0.00 WT3 O ATOM 36884 H1 TIP3 627 -22.533 7.355 -1.600 1.00 0.00 WT3 H ATOM 36885 H2 TIP3 627 4.442 9.909 -19.063 1.00 0.00 WT3 H ATOM 36886 OH2 TIP3 628 5.840 -1.016 8.434 1.00 0.00 WT3 O ATOM 36887 H1 TIP3 628 12.226 -7.161 19.358 1.00 0.00 WT3 H ATOM 36888 H2 TIP3 628 -4.758 24.033 -5.862 1.00 0.00 WT3 H ATOM 36889 OH2 TIP3 630 -1.478 -1.261 -5.466 1.00 0.00 WT3 O ATOM 36890 H1 TIP3 630 -2.273 23.235 -16.275 1.00 0.00 WT3 H ATOM 36891 H2 TIP3 630 17.678 -0.194 -5.502 1.00 0.00 WT3 H ATOM 36892 OH2 TIP3 632 -6.988 1.217 -0.472 1.00 0.00 WT3 O ATOM 36893 H1 TIP3 632 16.497 -24.884 6.504 1.00 0.00 WT3 H ATOM 36894 H2 TIP3 632 -7.580 1.681 -11.743 1.00 0.00 WT3 H ATOM 36895 OH2 TIP3 634 -2.089 -3.882 0.226 1.00 0.00 WT3 O ATOM 36896 H1 TIP3 634 -10.849 2.158 2.758 1.00 0.00 WT3 H ATOM 36897 H2 TIP3 634 -3.543 -8.412 17.806 1.00 0.00 WT3 H ATOM 36898 OH2 TIP3 635 1.327 -6.732 4.351 1.00 0.00 WT3 O ATOM 36899 H1 TIP3 635 21.333 -3.232 4.959 1.00 0.00 WT3 H ATOM 36900 H2 TIP3 635 -6.491 10.731 -5.081 1.00 0.00 WT3 H ATOM 36901 OH2 TIP3 638 -0.802 0.511 3.900 1.00 0.00 WT3 O ATOM 36902 H1 TIP3 638 -6.913 1.441 7.761 1.00 0.00 WT3 H ATOM 36903 H2 TIP3 638 -0.579 -13.946 -5.907 1.00 0.00 WT3 H ATOM 36904 OH2 TIP3 639 2.919 -3.993 -1.405 1.00 0.00 WT3 O ATOM 36905 H1 TIP3 639 5.147 -22.920 -1.778 1.00 0.00 WT3 H ATOM 36906 H2 TIP3 639 28.253 13.349 2.055 1.00 0.00 WT3 H ATOM 36907 OH2 TIP3 640 1.848 1.090 4.781 1.00 0.00 WT3 O ATOM 36908 H1 TIP3 640 12.685 4.980 9.248 1.00 0.00 WT3 H ATOM 36909 H2 TIP3 640 -4.735 7.342 7.507 1.00 0.00 WT3 H ATOM 36910 OH2 TIP3 643 -1.607 -0.834 2.081 1.00 0.00 WT3 O ATOM 36911 H1 TIP3 643 -4.618 -32.824 30.746 1.00 0.00 WT3 H ATOM 36912 H2 TIP3 643 -16.106 -19.756 11.887 1.00 0.00 WT3 H ATOM 36913 OH2 TIP3 644 1.477 -1.469 0.517 1.00 0.00 WT3 O ATOM 36914 H1 TIP3 644 11.038 17.910 -7.406 1.00 0.00 WT3 H ATOM 36915 H2 TIP3 644 16.609 -20.048 -11.712 1.00 0.00 WT3 H ATOM 36916 OH2 TIP3 647 -0.168 -0.156 -2.915 1.00 0.00 WT3 O ATOM 36917 H1 TIP3 647 -15.209 -19.083 2.831 1.00 0.00 WT3 H ATOM 36918 H2 TIP3 647 -4.070 19.891 0.648 1.00 0.00 WT3 H ATOM 36919 OH2 TIP3 648 4.864 -4.940 2.058 1.00 0.00 WT3 O ATOM 36920 H1 TIP3 648 12.021 4.096 -1.699 1.00 0.00 WT3 H ATOM 36921 H2 TIP3 648 10.916 16.299 -7.044 1.00 0.00 WT3 H ATOM 36922 OH2 TIP3 649 2.722 1.396 2.726 1.00 0.00 WT3 O ATOM 36923 H1 TIP3 649 8.468 -4.883 4.070 1.00 0.00 WT3 H ATOM 36924 H2 TIP3 649 10.682 -5.028 8.143 1.00 0.00 WT3 H ATOM 36925 OH2 TIP3 650 -4.371 -3.390 1.985 1.00 0.00 WT3 O ATOM 36926 H1 TIP3 650 -39.026 17.172 -4.500 1.00 0.00 WT3 H ATOM 36927 H2 TIP3 650 5.211 -9.348 3.101 1.00 0.00 WT3 H ATOM 36928 OH2 TIP3 651 -4.589 0.549 -0.427 1.00 0.00 WT3 O ATOM 36929 H1 TIP3 651 -9.159 0.143 -0.543 1.00 0.00 WT3 H ATOM 36930 H2 TIP3 651 -21.357 -0.861 -2.033 1.00 0.00 WT3 H ATOM 36931 OH2 TIP3 655 1.098 -2.366 1.943 1.00 0.00 WT3 O ATOM 36932 H1 TIP3 655 11.337 19.231 -15.719 1.00 0.00 WT3 H ATOM 36933 H2 TIP3 655 -2.477 -18.444 -3.349 1.00 0.00 WT3 H ATOM 36934 OH2 TIP3 656 1.297 -4.457 -0.601 1.00 0.00 WT3 O ATOM 36935 H1 TIP3 656 -3.522 -9.364 -8.188 1.00 0.00 WT3 H ATOM 36936 H2 TIP3 656 33.416 2.621 7.316 1.00 0.00 WT3 H ATOM 36937 OH2 TIP3 659 2.818 0.176 1.689 1.00 0.00 WT3 O ATOM 36938 H1 TIP3 659 4.028 -14.943 1.181 1.00 0.00 WT3 H ATOM 36939 H2 TIP3 659 14.499 -8.655 22.967 1.00 0.00 WT3 H ATOM 36940 OH2 TIP3 660 -7.339 -2.994 -3.241 1.00 0.00 WT3 O ATOM 36941 H1 TIP3 660 -6.686 3.882 7.267 1.00 0.00 WT3 H ATOM 36942 H2 TIP3 660 -9.407 -5.972 -3.510 1.00 0.00 WT3 H ATOM 36943 OH2 TIP3 662 9.468 -2.444 -5.308 1.00 0.00 WT3 O ATOM 36944 H1 TIP3 662 -3.262 3.100 -8.897 1.00 0.00 WT3 H ATOM 36945 H2 TIP3 662 13.939 -6.129 -16.394 1.00 0.00 WT3 H ATOM 36946 OH2 TIP3 664 0.075 -0.390 1.491 1.00 0.00 WT3 O ATOM 36947 H1 TIP3 664 20.994 5.161 4.012 1.00 0.00 WT3 H ATOM 36948 H2 TIP3 664 -29.941 -14.424 15.143 1.00 0.00 WT3 H ATOM 36949 OH2 TIP3 666 8.535 2.161 -2.133 1.00 0.00 WT3 O ATOM 36950 H1 TIP3 666 -13.089 1.580 5.294 1.00 0.00 WT3 H ATOM 36951 H2 TIP3 666 5.213 2.235 -0.675 1.00 0.00 WT3 H ATOM 36952 OH2 TIP3 668 1.569 -1.417 0.518 1.00 0.00 WT3 O ATOM 36953 H1 TIP3 668 4.813 -1.090 2.737 1.00 0.00 WT3 H ATOM 36954 H2 TIP3 668 -17.058 -14.218 -15.605 1.00 0.00 WT3 H ATOM 36955 OH2 TIP3 669 6.021 0.537 -0.969 1.00 0.00 WT3 O ATOM 36956 H1 TIP3 669 5.345 -12.023 9.542 1.00 0.00 WT3 H ATOM 36957 H2 TIP3 669 2.761 6.391 13.365 1.00 0.00 WT3 H ATOM 36958 OH2 TIP3 670 -3.128 -0.149 -9.300 1.00 0.00 WT3 O ATOM 36959 H1 TIP3 670 17.125 4.103 7.657 1.00 0.00 WT3 H ATOM 36960 H2 TIP3 670 -3.156 9.879 -10.312 1.00 0.00 WT3 H ATOM 36961 OH2 TIP3 679 1.389 0.817 -3.044 1.00 0.00 WT3 O ATOM 36962 H1 TIP3 679 -4.035 4.064 -34.334 1.00 0.00 WT3 H ATOM 36963 H2 TIP3 679 1.778 15.725 -13.806 1.00 0.00 WT3 H ATOM 36964 OH2 TIP3 682 -2.483 3.951 5.246 1.00 0.00 WT3 O ATOM 36965 H1 TIP3 682 2.521 7.999 10.344 1.00 0.00 WT3 H ATOM 36966 H2 TIP3 682 -2.458 4.637 7.112 1.00 0.00 WT3 H ATOM 36967 OH2 TIP3 695 0.436 4.040 0.525 1.00 0.00 WT3 O ATOM 36968 H1 TIP3 695 -12.417 -24.258 -9.158 1.00 0.00 WT3 H ATOM 36969 H2 TIP3 695 -11.834 -17.605 -6.712 1.00 0.00 WT3 H ATOM 36970 OH2 TIP3 697 0.496 8.808 7.854 1.00 0.00 WT3 O ATOM 36971 H1 TIP3 697 4.904 1.016 5.020 1.00 0.00 WT3 H ATOM 36972 H2 TIP3 697 3.855 10.744 15.241 1.00 0.00 WT3 H ATOM 36973 OH2 TIP3 711 -3.370 -5.043 -8.032 1.00 0.00 WT3 O ATOM 36974 H1 TIP3 711 16.954 -1.249 -5.607 1.00 0.00 WT3 H ATOM 36975 H2 TIP3 711 -9.921 7.263 -20.436 1.00 0.00 WT3 H ATOM 36976 OH2 TIP3 713 -1.080 -7.929 -2.637 1.00 0.00 WT3 O ATOM 36977 H1 TIP3 713 1.408 1.221 -0.782 1.00 0.00 WT3 H ATOM 36978 H2 TIP3 713 12.758 -3.808 5.606 1.00 0.00 WT3 H ATOM 36979 OH2 TIP3 758 2.984 -2.093 5.855 1.00 0.00 WT3 O ATOM 36980 H1 TIP3 758 -3.122 -14.432 2.635 1.00 0.00 WT3 H ATOM 36981 H2 TIP3 758 -7.677 -8.161 21.191 1.00 0.00 WT3 H ATOM 36982 OH2 TIP3 805 3.190 -3.752 2.291 1.00 0.00 WT3 O ATOM 36983 H1 TIP3 805 3.928 -0.800 1.222 1.00 0.00 WT3 H ATOM 36984 H2 TIP3 805 2.954 -7.308 3.291 1.00 0.00 WT3 H ATOM 36985 OH2 TIP3 821 -0.362 3.049 -8.247 1.00 0.00 WT3 O ATOM 36986 H1 TIP3 821 -11.447 -5.281 -5.014 1.00 0.00 WT3 H ATOM 36987 H2 TIP3 821 -0.318 15.019 -10.843 1.00 0.00 WT3 H ATOM 36988 OH2 TIP3 822 4.104 3.812 3.250 1.00 0.00 WT3 O ATOM 36989 H1 TIP3 822 -12.640 2.396 7.579 1.00 0.00 WT3 H ATOM 36990 H2 TIP3 822 34.235 11.350 0.069 1.00 0.00 WT3 H ATOM 36991 OH2 TIP3 825 5.073 2.214 2.469 1.00 0.00 WT3 O ATOM 36992 H1 TIP3 825 8.360 5.916 -13.281 1.00 0.00 WT3 H ATOM 36993 H2 TIP3 825 12.905 8.504 0.386 1.00 0.00 WT3 H ATOM 36994 OH2 TIP3 835 -1.262 0.093 0.300 1.00 0.00 WT3 O ATOM 36995 H1 TIP3 835 -2.747 2.849 -7.427 1.00 0.00 WT3 H ATOM 36996 H2 TIP3 835 5.729 5.390 3.165 1.00 0.00 WT3 H ATOM 36997 OH2 TIP3 836 -3.660 -3.580 1.146 1.00 0.00 WT3 O ATOM 36998 H1 TIP3 836 25.260 18.073 -11.261 1.00 0.00 WT3 H ATOM 36999 H2 TIP3 836 -14.532 13.861 -14.421 1.00 0.00 WT3 H ATOM 37000 OH2 TIP3 848 -3.814 2.069 4.567 1.00 0.00 WT3 O ATOM 37001 H1 TIP3 848 -2.007 -8.185 5.307 1.00 0.00 WT3 H ATOM 37002 H2 TIP3 848 -5.631 7.720 15.287 1.00 0.00 WT3 H ATOM 37003 OH2 TIP3 849 -7.076 -7.923 4.624 1.00 0.00 WT3 O ATOM 37004 H1 TIP3 849 -11.953 -20.897 0.836 1.00 0.00 WT3 H ATOM 37005 H2 TIP3 849 -7.297 -10.017 7.800 1.00 0.00 WT3 H ATOM 37006 OH2 TIP3 852 -1.920 0.988 6.198 1.00 0.00 WT3 O ATOM 37007 H1 TIP3 852 0.321 28.842 10.759 1.00 0.00 WT3 H ATOM 37008 H2 TIP3 852 9.418 -0.552 -21.338 1.00 0.00 WT3 H ATOM 37009 OH2 TIP3 854 -0.188 2.925 -1.815 1.00 0.00 WT3 O ATOM 37010 H1 TIP3 854 -8.799 18.162 0.504 1.00 0.00 WT3 H ATOM 37011 H2 TIP3 854 24.010 3.633 -1.581 1.00 0.00 WT3 H ATOM 37012 OH2 TIP3 855 -1.127 0.479 -0.073 1.00 0.00 WT3 O ATOM 37013 H1 TIP3 855 -6.035 -11.173 -25.825 1.00 0.00 WT3 H ATOM 37014 H2 TIP3 855 -0.869 -21.475 18.753 1.00 0.00 WT3 H ATOM 37015 OH2 TIP3 858 -7.135 4.447 -4.086 1.00 0.00 WT3 O ATOM 37016 H1 TIP3 858 -6.461 -9.261 -2.219 1.00 0.00 WT3 H ATOM 37017 H2 TIP3 858 -5.224 -4.788 5.286 1.00 0.00 WT3 H ATOM 37018 OH2 TIP3 860 -0.025 1.615 1.601 1.00 0.00 WT3 O ATOM 37019 H1 TIP3 860 3.069 5.521 -2.191 1.00 0.00 WT3 H ATOM 37020 H2 TIP3 860 -4.507 10.324 -10.025 1.00 0.00 WT3 H ATOM 37021 OH2 TIP3 866 -2.970 0.213 -3.906 1.00 0.00 WT3 O ATOM 37022 H1 TIP3 866 11.033 -9.083 -2.277 1.00 0.00 WT3 H ATOM 37023 H2 TIP3 866 14.943 -12.339 -2.843 1.00 0.00 WT3 H ATOM 37024 OH2 TIP3 867 -4.507 0.924 1.455 1.00 0.00 WT3 O ATOM 37025 H1 TIP3 867 0.817 0.507 13.062 1.00 0.00 WT3 H ATOM 37026 H2 TIP3 867 -14.723 -1.423 -12.971 1.00 0.00 WT3 H ATOM 37027 OH2 TIP3 879 4.418 -4.567 -0.500 1.00 0.00 WT3 O ATOM 37028 H1 TIP3 879 1.742 -15.787 1.338 1.00 0.00 WT3 H ATOM 37029 H2 TIP3 879 4.029 -7.790 -1.367 1.00 0.00 WT3 H ATOM 37030 OH2 TIP3 881 -1.890 -1.298 -0.650 1.00 0.00 WT3 O ATOM 37031 H1 TIP3 881 3.781 10.490 15.926 1.00 0.00 WT3 H ATOM 37032 H2 TIP3 881 -7.738 -15.077 1.978 1.00 0.00 WT3 H ATOM 37033 OH2 TIP3 882 3.514 -1.622 -0.107 1.00 0.00 WT3 O ATOM 37034 H1 TIP3 882 5.410 0.239 -0.899 1.00 0.00 WT3 H ATOM 37035 H2 TIP3 882 4.753 -0.398 7.234 1.00 0.00 WT3 H ATOM 37036 OH2 TIP3 886 -1.192 -0.679 -4.400 1.00 0.00 WT3 O ATOM 37037 H1 TIP3 886 10.010 2.942 6.338 1.00 0.00 WT3 H ATOM 37038 H2 TIP3 886 -4.749 7.100 -1.936 1.00 0.00 WT3 H ATOM 37039 OH2 TIP3 887 -3.040 -0.025 3.455 1.00 0.00 WT3 O ATOM 37040 H1 TIP3 887 4.362 -10.909 -18.713 1.00 0.00 WT3 H ATOM 37041 H2 TIP3 887 -0.165 15.417 -1.525 1.00 0.00 WT3 H ATOM 37042 OH2 TIP3 889 2.069 -2.735 4.195 1.00 0.00 WT3 O ATOM 37043 H1 TIP3 889 -24.910 -13.647 13.034 1.00 0.00 WT3 H ATOM 37044 H2 TIP3 889 23.415 8.858 -2.236 1.00 0.00 WT3 H ATOM 37045 OH2 TIP3 890 -5.520 1.715 1.942 1.00 0.00 WT3 O ATOM 37046 H1 TIP3 890 -30.516 4.734 36.427 1.00 0.00 WT3 H ATOM 37047 H2 TIP3 890 -3.753 0.744 8.934 1.00 0.00 WT3 H ATOM 37048 OH2 TIP3 891 -5.942 2.434 2.323 1.00 0.00 WT3 O ATOM 37049 H1 TIP3 891 -7.447 8.971 -25.662 1.00 0.00 WT3 H ATOM 37050 H2 TIP3 891 -24.931 -11.754 5.534 1.00 0.00 WT3 H ATOM 37051 OH2 TIP3 894 6.336 -2.072 -1.675 1.00 0.00 WT3 O ATOM 37052 H1 TIP3 894 -4.005 -0.565 -1.210 1.00 0.00 WT3 H ATOM 37053 H2 TIP3 894 -10.315 7.844 4.866 1.00 0.00 WT3 H ATOM 37054 OH2 TIP3 895 6.340 -4.318 -4.087 1.00 0.00 WT3 O ATOM 37055 H1 TIP3 895 2.953 -10.781 -2.295 1.00 0.00 WT3 H ATOM 37056 H2 TIP3 895 1.271 -14.468 -1.447 1.00 0.00 WT3 H ATOM 37057 OH2 TIP3 896 -8.354 -6.145 -5.930 1.00 0.00 WT3 O ATOM 37058 H1 TIP3 896 -5.456 11.947 -10.374 1.00 0.00 WT3 H ATOM 37059 H2 TIP3 896 -18.336 -11.786 -2.617 1.00 0.00 WT3 H ATOM 37060 OH2 TIP3 897 -0.164 -0.572 -4.309 1.00 0.00 WT3 O ATOM 37061 H1 TIP3 897 8.087 -12.447 17.467 1.00 0.00 WT3 H ATOM 37062 H2 TIP3 897 4.343 10.524 -1.176 1.00 0.00 WT3 H ATOM 37063 OH2 TIP3 899 -2.400 7.201 2.733 1.00 0.00 WT3 O ATOM 37064 H1 TIP3 899 7.221 10.526 13.905 1.00 0.00 WT3 H ATOM 37065 H2 TIP3 899 -13.279 10.749 4.343 1.00 0.00 WT3 H ATOM 37066 OH2 TIP3 903 1.452 -6.086 -0.320 1.00 0.00 WT3 O ATOM 37067 H1 TIP3 903 -12.927 -19.051 14.995 1.00 0.00 WT3 H ATOM 37068 H2 TIP3 903 -11.057 12.249 -12.020 1.00 0.00 WT3 H ATOM 37069 OH2 TIP3 906 8.032 -0.770 5.701 1.00 0.00 WT3 O ATOM 37070 H1 TIP3 906 -1.497 -11.369 -4.123 1.00 0.00 WT3 H ATOM 37071 H2 TIP3 906 6.423 1.617 -16.653 1.00 0.00 WT3 H ATOM 37072 OH2 TIP3 907 0.437 1.152 2.330 1.00 0.00 WT3 O ATOM 37073 H1 TIP3 907 -6.740 4.183 4.261 1.00 0.00 WT3 H ATOM 37074 H2 TIP3 907 11.706 0.635 0.831 1.00 0.00 WT3 H ATOM 37075 OH2 TIP3 908 -2.060 -1.319 -1.339 1.00 0.00 WT3 O ATOM 37076 H1 TIP3 908 -0.222 1.659 4.963 1.00 0.00 WT3 H ATOM 37077 H2 TIP3 908 -5.927 -4.537 -0.827 1.00 0.00 WT3 H ATOM 37078 OH2 TIP3 911 -2.492 -0.937 1.881 1.00 0.00 WT3 O ATOM 37079 H1 TIP3 911 -3.824 -24.763 -6.414 1.00 0.00 WT3 H ATOM 37080 H2 TIP3 911 4.639 -14.928 -19.503 1.00 0.00 WT3 H ATOM 37081 OH2 TIP3 912 2.999 2.716 4.308 1.00 0.00 WT3 O ATOM 37082 H1 TIP3 912 0.334 2.074 -8.028 1.00 0.00 WT3 H ATOM 37083 H2 TIP3 912 3.116 4.629 9.608 1.00 0.00 WT3 H ATOM 37084 OH2 TIP3 916 0.056 -0.315 3.902 1.00 0.00 WT3 O ATOM 37085 H1 TIP3 916 -36.326 -32.805 9.958 1.00 0.00 WT3 H ATOM 37086 H2 TIP3 916 6.151 -12.998 0.843 1.00 0.00 WT3 H ATOM 37087 OH2 TIP3 917 -1.874 -4.742 1.658 1.00 0.00 WT3 O ATOM 37088 H1 TIP3 917 2.237 1.486 -4.651 1.00 0.00 WT3 H ATOM 37089 H2 TIP3 917 -3.518 -8.451 5.401 1.00 0.00 WT3 H ATOM 37090 OH2 TIP3 918 -4.220 -2.692 -5.906 1.00 0.00 WT3 O ATOM 37091 H1 TIP3 918 -6.234 -9.065 0.339 1.00 0.00 WT3 H ATOM 37092 H2 TIP3 918 -8.230 18.962 -11.807 1.00 0.00 WT3 H ATOM 37093 OH2 TIP3 919 -0.825 -0.850 -5.737 1.00 0.00 WT3 O ATOM 37094 H1 TIP3 919 -22.936 14.520 6.486 1.00 0.00 WT3 H ATOM 37095 H2 TIP3 919 -27.813 1.740 -8.868 1.00 0.00 WT3 H ATOM 37096 OH2 TIP3 921 1.082 8.645 -9.100 1.00 0.00 WT3 O ATOM 37097 H1 TIP3 921 -0.917 10.024 -22.851 1.00 0.00 WT3 H ATOM 37098 H2 TIP3 921 7.114 8.844 -5.976 1.00 0.00 WT3 H ATOM 37099 OH2 TIP3 924 1.223 -0.666 1.884 1.00 0.00 WT3 O ATOM 37100 H1 TIP3 924 0.290 23.831 -1.720 1.00 0.00 WT3 H ATOM 37101 H2 TIP3 924 3.745 8.963 -2.036 1.00 0.00 WT3 H ATOM 37102 OH2 TIP3 927 3.673 9.015 0.116 1.00 0.00 WT3 O ATOM 37103 H1 TIP3 927 12.227 0.607 -3.530 1.00 0.00 WT3 H ATOM 37104 H2 TIP3 927 9.884 0.848 -17.155 1.00 0.00 WT3 H ATOM 37105 OH2 TIP3 928 2.704 -1.331 -1.095 1.00 0.00 WT3 O ATOM 37106 H1 TIP3 928 2.764 -21.872 8.172 1.00 0.00 WT3 H ATOM 37107 H2 TIP3 928 1.374 -7.216 -14.542 1.00 0.00 WT3 H ATOM 37108 OH2 TIP3 929 6.354 -4.726 -1.462 1.00 0.00 WT3 O ATOM 37109 H1 TIP3 929 9.816 18.228 14.437 1.00 0.00 WT3 H ATOM 37110 H2 TIP3 929 -15.190 0.400 -9.957 1.00 0.00 WT3 H ATOM 37111 OH2 TIP3 930 -1.773 5.582 -3.288 1.00 0.00 WT3 O ATOM 37112 H1 TIP3 930 -2.254 8.943 -12.162 1.00 0.00 WT3 H ATOM 37113 H2 TIP3 930 0.112 13.808 1.311 1.00 0.00 WT3 H ATOM 37114 OH2 TIP3 932 2.685 7.276 -0.622 1.00 0.00 WT3 O ATOM 37115 H1 TIP3 932 0.316 -22.735 -2.955 1.00 0.00 WT3 H ATOM 37116 H2 TIP3 932 -0.839 -8.168 -4.244 1.00 0.00 WT3 H ATOM 37117 OH2 TIP3 933 3.905 -10.721 -1.643 1.00 0.00 WT3 O ATOM 37118 H1 TIP3 933 -23.353 -14.141 0.086 1.00 0.00 WT3 H ATOM 37119 H2 TIP3 933 18.124 21.274 5.529 1.00 0.00 WT3 H ATOM 37120 OH2 TIP3 936 -2.470 2.069 -3.763 1.00 0.00 WT3 O ATOM 37121 H1 TIP3 936 8.308 22.635 -1.574 1.00 0.00 WT3 H ATOM 37122 H2 TIP3 936 20.091 -7.985 -25.231 1.00 0.00 WT3 H ATOM 37123 OH2 TIP3 937 -4.283 -2.239 1.830 1.00 0.00 WT3 O ATOM 37124 H1 TIP3 937 2.281 3.300 0.689 1.00 0.00 WT3 H ATOM 37125 H2 TIP3 937 -12.105 5.067 -11.429 1.00 0.00 WT3 H ATOM 37126 OH2 TIP3 938 -2.680 -1.970 -1.782 1.00 0.00 WT3 O ATOM 37127 H1 TIP3 938 9.035 2.398 -3.443 1.00 0.00 WT3 H ATOM 37128 H2 TIP3 938 -8.536 -11.295 -2.724 1.00 0.00 WT3 H ATOM 37129 OH2 TIP3 939 -0.630 -0.579 -1.749 1.00 0.00 WT3 O ATOM 37130 H1 TIP3 939 1.267 0.375 -9.566 1.00 0.00 WT3 H ATOM 37131 H2 TIP3 939 -1.782 0.305 12.828 1.00 0.00 WT3 H ATOM 37132 OH2 TIP3 940 -2.787 -7.180 1.525 1.00 0.00 WT3 O ATOM 37133 H1 TIP3 940 7.063 7.300 4.066 1.00 0.00 WT3 H ATOM 37134 H2 TIP3 940 -4.691 -14.337 1.365 1.00 0.00 WT3 H ATOM 37135 OH2 TIP3 941 -1.252 -1.402 1.905 1.00 0.00 WT3 O ATOM 37136 H1 TIP3 941 -3.448 -14.298 4.844 1.00 0.00 WT3 H ATOM 37137 H2 TIP3 941 0.654 -12.493 -2.239 1.00 0.00 WT3 H ATOM 37138 OH2 TIP3 942 0.461 0.187 1.245 1.00 0.00 WT3 O ATOM 37139 H1 TIP3 942 5.608 0.441 15.499 1.00 0.00 WT3 H ATOM 37140 H2 TIP3 942 11.712 -25.700 -20.342 1.00 0.00 WT3 H ATOM 37141 OH2 TIP3 944 4.057 1.222 0.159 1.00 0.00 WT3 O ATOM 37142 H1 TIP3 944 -4.666 11.031 12.761 1.00 0.00 WT3 H ATOM 37143 H2 TIP3 944 -9.049 19.362 8.641 1.00 0.00 WT3 H ATOM 37144 OH2 TIP3 946 1.842 1.836 -0.430 1.00 0.00 WT3 O ATOM 37145 H1 TIP3 946 5.797 -6.775 -7.010 1.00 0.00 WT3 H ATOM 37146 H2 TIP3 946 -1.343 3.643 -4.302 1.00 0.00 WT3 H ATOM 37147 OH2 TIP3 947 -3.708 -4.643 2.381 1.00 0.00 WT3 O ATOM 37148 H1 TIP3 947 7.556 -13.908 -9.937 1.00 0.00 WT3 H ATOM 37149 H2 TIP3 947 -13.593 -1.177 -7.229 1.00 0.00 WT3 H ATOM 37150 OH2 TIP3 948 1.885 1.696 0.155 1.00 0.00 WT3 O ATOM 37151 H1 TIP3 948 6.654 -2.589 4.407 1.00 0.00 WT3 H ATOM 37152 H2 TIP3 948 -17.179 4.340 -8.343 1.00 0.00 WT3 H ATOM 37153 OH2 TIP3 949 -2.319 1.642 4.348 1.00 0.00 WT3 O ATOM 37154 H1 TIP3 949 19.871 -8.630 -4.995 1.00 0.00 WT3 H ATOM 37155 H2 TIP3 949 -2.606 -0.375 20.945 1.00 0.00 WT3 H ATOM 37156 OH2 TIP3 950 -0.756 1.298 2.807 1.00 0.00 WT3 O ATOM 37157 H1 TIP3 950 15.930 -17.277 8.454 1.00 0.00 WT3 H ATOM 37158 H2 TIP3 950 7.717 -10.221 3.667 1.00 0.00 WT3 H ATOM 37159 OH2 TIP3 951 1.684 0.959 -1.390 1.00 0.00 WT3 O ATOM 37160 H1 TIP3 951 3.543 3.065 -11.715 1.00 0.00 WT3 H ATOM 37161 H2 TIP3 951 1.237 11.674 7.762 1.00 0.00 WT3 H ATOM 37162 OH2 TIP3 952 -0.262 -1.888 1.465 1.00 0.00 WT3 O ATOM 37163 H1 TIP3 952 -17.056 11.401 -1.360 1.00 0.00 WT3 H ATOM 37164 H2 TIP3 952 6.186 -9.004 4.756 1.00 0.00 WT3 H ATOM 37165 OH2 TIP3 953 0.120 -1.421 1.813 1.00 0.00 WT3 O ATOM 37166 H1 TIP3 953 4.371 -3.953 2.603 1.00 0.00 WT3 H ATOM 37167 H2 TIP3 953 7.997 1.716 -12.448 1.00 0.00 WT3 H ATOM 37168 OH2 TIP3 954 -6.880 -5.242 -8.658 1.00 0.00 WT3 O ATOM 37169 H1 TIP3 954 -8.290 -9.058 -6.301 1.00 0.00 WT3 H ATOM 37170 H2 TIP3 954 -7.773 14.365 -12.199 1.00 0.00 WT3 H ATOM 37171 OH2 TIP3 956 6.481 -3.117 -6.059 1.00 0.00 WT3 O ATOM 37172 H1 TIP3 956 -3.205 -11.100 -6.564 1.00 0.00 WT3 H ATOM 37173 H2 TIP3 956 -9.888 -23.195 -7.788 1.00 0.00 WT3 H ATOM 37174 OH2 TIP3 957 -8.622 -3.162 -7.205 1.00 0.00 WT3 O ATOM 37175 H1 TIP3 957 -2.464 2.138 -13.439 1.00 0.00 WT3 H ATOM 37176 H2 TIP3 957 1.411 -5.349 -1.882 1.00 0.00 WT3 H ATOM 37177 OH2 TIP3 958 2.342 0.748 3.903 1.00 0.00 WT3 O ATOM 37178 H1 TIP3 958 13.254 -19.955 15.878 1.00 0.00 WT3 H ATOM 37179 H2 TIP3 958 11.977 8.565 -2.485 1.00 0.00 WT3 H ATOM 37180 OH2 TIP3 959 -6.987 0.724 5.259 1.00 0.00 WT3 O ATOM 37181 H1 TIP3 959 -4.492 -14.644 -3.185 1.00 0.00 WT3 H ATOM 37182 H2 TIP3 959 -5.862 -6.937 3.383 1.00 0.00 WT3 H ATOM 37183 OH2 TIP3 960 -2.174 -2.969 -5.153 1.00 0.00 WT3 O ATOM 37184 H1 TIP3 960 -6.912 -8.372 -8.050 1.00 0.00 WT3 H ATOM 37185 H2 TIP3 960 3.101 5.638 -0.092 1.00 0.00 WT3 H ATOM 37186 OH2 TIP3 961 -1.551 -1.207 -0.738 1.00 0.00 WT3 O ATOM 37187 H1 TIP3 961 -9.826 13.309 14.985 1.00 0.00 WT3 H ATOM 37188 H2 TIP3 961 19.206 12.084 -10.801 1.00 0.00 WT3 H ATOM 37189 OH2 TIP3 962 1.558 -0.688 4.535 1.00 0.00 WT3 O ATOM 37190 H1 TIP3 962 5.035 17.858 10.811 1.00 0.00 WT3 H ATOM 37191 H2 TIP3 962 0.405 -7.306 -8.897 1.00 0.00 WT3 H ATOM 37192 OH2 TIP3 963 3.443 1.992 5.886 1.00 0.00 WT3 O ATOM 37193 H1 TIP3 963 0.790 -1.326 -4.294 1.00 0.00 WT3 H ATOM 37194 H2 TIP3 963 17.197 -10.146 16.162 1.00 0.00 WT3 H ATOM 37195 OH2 TIP3 964 3.465 -4.979 -8.271 1.00 0.00 WT3 O ATOM 37196 H1 TIP3 964 -2.758 -9.918 4.190 1.00 0.00 WT3 H ATOM 37197 H2 TIP3 964 11.114 21.169 -46.333 1.00 0.00 WT3 H ATOM 37198 OH2 TIP3 965 -1.815 4.918 -0.431 1.00 0.00 WT3 O ATOM 37199 H1 TIP3 965 -13.604 -5.118 5.444 1.00 0.00 WT3 H ATOM 37200 H2 TIP3 965 10.522 -7.214 -5.671 1.00 0.00 WT3 H ATOM 37201 OH2 TIP3 966 -2.219 1.140 7.117 1.00 0.00 WT3 O ATOM 37202 H1 TIP3 966 -2.940 3.781 17.957 1.00 0.00 WT3 H ATOM 37203 H2 TIP3 966 7.512 -7.046 1.062 1.00 0.00 WT3 H ATOM 37204 OH2 TIP3 967 -1.206 -1.797 0.717 1.00 0.00 WT3 O ATOM 37205 H1 TIP3 967 2.486 2.866 11.381 1.00 0.00 WT3 H ATOM 37206 H2 TIP3 967 -26.376 11.893 -4.963 1.00 0.00 WT3 H ATOM 37207 OH2 TIP3 970 3.453 0.083 -0.387 1.00 0.00 WT3 O ATOM 37208 H1 TIP3 970 -2.297 -1.296 -20.056 1.00 0.00 WT3 H ATOM 37209 H2 TIP3 970 -19.731 -4.136 3.340 1.00 0.00 WT3 H ATOM 37210 OH2 TIP3 971 1.456 -3.354 -3.285 1.00 0.00 WT3 O ATOM 37211 H1 TIP3 971 7.966 19.433 -2.820 1.00 0.00 WT3 H ATOM 37212 H2 TIP3 971 22.249 -9.570 9.448 1.00 0.00 WT3 H ATOM 37213 OH2 TIP3 972 0.371 4.678 -3.751 1.00 0.00 WT3 O ATOM 37214 H1 TIP3 972 11.314 4.127 -15.190 1.00 0.00 WT3 H ATOM 37215 H2 TIP3 972 -24.993 17.610 -6.132 1.00 0.00 WT3 H ATOM 37216 OH2 TIP3 973 -3.440 -0.765 4.777 1.00 0.00 WT3 O ATOM 37217 H1 TIP3 973 -7.713 1.961 15.856 1.00 0.00 WT3 H ATOM 37218 H2 TIP3 973 -6.231 1.415 12.321 1.00 0.00 WT3 H ATOM 37219 OH2 TIP3 974 -8.074 -6.350 -10.432 1.00 0.00 WT3 O ATOM 37220 H1 TIP3 974 -9.882 -9.513 12.263 1.00 0.00 WT3 H ATOM 37221 H2 TIP3 974 -14.765 -14.859 15.006 1.00 0.00 WT3 H ATOM 37222 OH2 TIP3 975 -1.883 3.861 -5.649 1.00 0.00 WT3 O ATOM 37223 H1 TIP3 975 12.120 16.555 14.605 1.00 0.00 WT3 H ATOM 37224 H2 TIP3 975 11.102 17.259 -4.512 1.00 0.00 WT3 H ATOM 37225 OH2 TIP3 976 -3.387 2.242 -1.699 1.00 0.00 WT3 O ATOM 37226 H1 TIP3 976 -0.974 -0.609 13.950 1.00 0.00 WT3 H ATOM 37227 H2 TIP3 976 -0.970 -5.537 7.677 1.00 0.00 WT3 H ATOM 37228 OH2 TIP3 977 -1.319 -3.624 -0.819 1.00 0.00 WT3 O ATOM 37229 H1 TIP3 977 11.400 8.297 -3.461 1.00 0.00 WT3 H ATOM 37230 H2 TIP3 977 -0.279 -5.459 2.477 1.00 0.00 WT3 H ATOM 37231 OH2 TIP3 978 3.705 -1.739 -0.725 1.00 0.00 WT3 O ATOM 37232 H1 TIP3 978 10.031 -4.189 -0.159 1.00 0.00 WT3 H ATOM 37233 H2 TIP3 978 -0.512 2.678 -14.738 1.00 0.00 WT3 H ATOM 37234 OH2 TIP3 979 0.570 1.228 -4.492 1.00 0.00 WT3 O ATOM 37235 H1 TIP3 979 4.359 3.475 -0.737 1.00 0.00 WT3 H ATOM 37236 H2 TIP3 979 -7.391 7.000 -12.786 1.00 0.00 WT3 H ATOM 37237 OH2 TIP3 980 -0.412 4.687 1.552 1.00 0.00 WT3 O ATOM 37238 H1 TIP3 980 -29.505 -9.220 -6.352 1.00 0.00 WT3 H ATOM 37239 H2 TIP3 980 -25.201 -13.207 12.299 1.00 0.00 WT3 H ATOM 37240 OH2 TIP3 982 -1.897 -2.355 3.702 1.00 0.00 WT3 O ATOM 37241 H1 TIP3 982 21.560 4.825 -11.688 1.00 0.00 WT3 H ATOM 37242 H2 TIP3 982 -33.693 -5.363 -0.588 1.00 0.00 WT3 H ATOM 37243 OH2 TIP3 983 3.497 2.476 2.131 1.00 0.00 WT3 O ATOM 37244 H1 TIP3 983 10.222 -12.968 5.991 1.00 0.00 WT3 H ATOM 37245 H2 TIP3 983 5.871 -1.797 1.849 1.00 0.00 WT3 H ATOM 37246 OH2 TIP3 984 -6.346 -0.655 1.759 1.00 0.00 WT3 O ATOM 37247 H1 TIP3 984 7.887 -6.477 15.126 1.00 0.00 WT3 H ATOM 37248 H2 TIP3 984 -7.462 37.814 -9.729 1.00 0.00 WT3 H ATOM 37249 OH2 TIP3 985 -0.492 2.075 -3.390 1.00 0.00 WT3 O ATOM 37250 H1 TIP3 985 -4.994 -1.399 -4.937 1.00 0.00 WT3 H ATOM 37251 H2 TIP3 985 1.607 10.549 4.683 1.00 0.00 WT3 H ATOM 37252 OH2 TIP3 986 -0.772 1.594 1.962 1.00 0.00 WT3 O ATOM 37253 H1 TIP3 986 -16.163 -16.927 10.094 1.00 0.00 WT3 H ATOM 37254 H2 TIP3 986 -10.207 -7.749 -6.193 1.00 0.00 WT3 H ATOM 37255 OH2 TIP3 988 0.721 -10.021 -0.239 1.00 0.00 WT3 O ATOM 37256 H1 TIP3 988 -1.738 -9.993 -17.740 1.00 0.00 WT3 H ATOM 37257 H2 TIP3 988 -13.137 -15.296 -25.360 1.00 0.00 WT3 H ATOM 37258 OH2 TIP3 992 0.380 1.558 1.422 1.00 0.00 WT3 O ATOM 37259 H1 TIP3 992 -1.975 -1.647 4.173 1.00 0.00 WT3 H ATOM 37260 H2 TIP3 992 -10.210 2.889 -1.704 1.00 0.00 WT3 H ATOM 37261 OH2 TIP3 993 -2.421 5.302 -1.177 1.00 0.00 WT3 O ATOM 37262 H1 TIP3 993 3.476 9.481 -1.784 1.00 0.00 WT3 H ATOM 37263 H2 TIP3 993 0.147 -0.561 1.951 1.00 0.00 WT3 H ATOM 37264 OH2 TIP3 994 -1.490 2.022 2.337 1.00 0.00 WT3 O ATOM 37265 H1 TIP3 994 -3.863 4.379 14.400 1.00 0.00 WT3 H ATOM 37266 H2 TIP3 994 0.870 0.504 -9.536 1.00 0.00 WT3 H ATOM 37267 OH2 TIP3 995 -2.613 -7.761 3.136 1.00 0.00 WT3 O ATOM 37268 H1 TIP3 995 -9.487 13.857 -8.985 1.00 0.00 WT3 H ATOM 37269 H2 TIP3 995 19.382 -27.064 8.970 1.00 0.00 WT3 H ATOM 37270 OH2 TIP3 996 -4.005 -1.234 -6.085 1.00 0.00 WT3 O ATOM 37271 H1 TIP3 996 -1.375 12.399 -5.906 1.00 0.00 WT3 H ATOM 37272 H2 TIP3 996 -20.491 -5.252 7.706 1.00 0.00 WT3 H ATOM 37273 OH2 TIP3 997 0.651 5.619 -4.606 1.00 0.00 WT3 O ATOM 37274 H1 TIP3 997 12.091 6.165 -10.088 1.00 0.00 WT3 H ATOM 37275 H2 TIP3 997 -9.163 -2.880 2.167 1.00 0.00 WT3 H ATOM 37276 OH2 TIP3 998 0.797 0.858 10.388 1.00 0.00 WT3 O ATOM 37277 H1 TIP3 998 -3.221 7.114 1.338 1.00 0.00 WT3 H ATOM 37278 H2 TIP3 998 13.485 6.938 3.910 1.00 0.00 WT3 H ATOM 37279 OH2 TIP3 999 2.064 1.850 2.379 1.00 0.00 WT3 O ATOM 37280 H1 TIP3 999 1.892 -11.852 3.625 1.00 0.00 WT3 H ATOM 37281 H2 TIP3 999 16.956 13.638 0.513 1.00 0.00 WT3 H ATOM 37282 OH2 TIP3 1000 -0.155 -2.286 -3.624 1.00 0.00 WT3 O ATOM 37283 H1 TIP3 1000 13.652 8.095 15.908 1.00 0.00 WT3 H ATOM 37284 H2 TIP3 1000 -5.992 -12.860 12.004 1.00 0.00 WT3 H ATOM 37285 OH2 TIP3 1001 1.433 -6.017 -3.796 1.00 0.00 WT3 O ATOM 37286 H1 TIP3 1001 -6.248 -2.130 30.119 1.00 0.00 WT3 H ATOM 37287 H2 TIP3 1001 -1.945 -1.338 15.982 1.00 0.00 WT3 H ATOM 37288 OH2 TIP3 1002 0.145 -1.594 -5.083 1.00 0.00 WT3 O ATOM 37289 H1 TIP3 1002 -1.368 -10.121 1.503 1.00 0.00 WT3 H ATOM 37290 H2 TIP3 1002 5.538 11.438 -17.379 1.00 0.00 WT3 H ATOM 37291 OH2 TIP3 1003 -7.283 -0.314 -1.920 1.00 0.00 WT3 O ATOM 37292 H1 TIP3 1003 -21.842 27.783 -2.488 1.00 0.00 WT3 H ATOM 37293 H2 TIP3 1003 5.975 -23.356 -3.397 1.00 0.00 WT3 H ATOM 37294 OH2 TIP3 1004 -3.878 8.771 -0.554 1.00 0.00 WT3 O ATOM 37295 H1 TIP3 1004 -12.269 16.015 -0.460 1.00 0.00 WT3 H ATOM 37296 H2 TIP3 1004 30.203 -19.723 10.319 1.00 0.00 WT3 H ATOM 37297 OH2 TIP3 1005 0.516 5.665 -2.277 1.00 0.00 WT3 O ATOM 37298 H1 TIP3 1005 -11.849 11.913 -20.134 1.00 0.00 WT3 H ATOM 37299 H2 TIP3 1005 5.149 -6.054 -17.373 1.00 0.00 WT3 H ATOM 37300 OH2 TIP3 1006 5.341 -7.063 1.114 1.00 0.00 WT3 O ATOM 37301 H1 TIP3 1006 6.459 -7.638 -2.024 1.00 0.00 WT3 H ATOM 37302 H2 TIP3 1006 -3.117 -2.105 -4.183 1.00 0.00 WT3 H ATOM 37303 OH2 TIP3 1007 8.272 -3.379 2.990 1.00 0.00 WT3 O ATOM 37304 H1 TIP3 1007 17.661 -5.318 -4.144 1.00 0.00 WT3 H ATOM 37305 H2 TIP3 1007 8.310 -2.200 6.367 1.00 0.00 WT3 H ATOM 37306 OH2 TIP3 1009 0.146 4.545 -5.388 1.00 0.00 WT3 O ATOM 37307 H1 TIP3 1009 12.252 -0.482 -16.004 1.00 0.00 WT3 H ATOM 37308 H2 TIP3 1009 -5.410 19.174 -13.814 1.00 0.00 WT3 H ATOM 37309 OH2 TIP3 1010 2.106 -0.057 -4.720 1.00 0.00 WT3 O ATOM 37310 H1 TIP3 1010 11.150 30.695 -2.302 1.00 0.00 WT3 H ATOM 37311 H2 TIP3 1010 4.848 6.187 -4.023 1.00 0.00 WT3 H ATOM 37312 OH2 TIP3 1011 -1.900 6.559 0.622 1.00 0.00 WT3 O ATOM 37313 H1 TIP3 1011 -11.940 -14.247 3.017 1.00 0.00 WT3 H ATOM 37314 H2 TIP3 1011 10.279 30.766 -2.554 1.00 0.00 WT3 H ATOM 37315 OH2 TIP3 1012 1.484 2.506 6.016 1.00 0.00 WT3 O ATOM 37316 H1 TIP3 1012 -4.382 -1.872 -7.822 1.00 0.00 WT3 H ATOM 37317 H2 TIP3 1012 -3.083 3.591 -12.719 1.00 0.00 WT3 H ATOM 37318 OH2 TIP3 1013 3.512 -4.293 1.466 1.00 0.00 WT3 O ATOM 37319 H1 TIP3 1013 4.747 -4.670 17.186 1.00 0.00 WT3 H ATOM 37320 H2 TIP3 1013 -2.423 5.048 4.512 1.00 0.00 WT3 H ATOM 37321 OH2 TIP3 1014 0.970 0.725 0.747 1.00 0.00 WT3 O ATOM 37322 H1 TIP3 1014 9.263 -4.563 -4.466 1.00 0.00 WT3 H ATOM 37323 H2 TIP3 1014 -6.881 3.203 -5.123 1.00 0.00 WT3 H ATOM 37324 OH2 TIP3 1015 5.200 3.003 4.033 1.00 0.00 WT3 O ATOM 37325 H1 TIP3 1015 10.027 1.383 8.683 1.00 0.00 WT3 H ATOM 37326 H2 TIP3 1015 -11.118 -1.144 -18.773 1.00 0.00 WT3 H ATOM 37327 OH2 TIP3 1017 2.546 11.427 1.394 1.00 0.00 WT3 O ATOM 37328 H1 TIP3 1017 0.932 -18.020 5.770 1.00 0.00 WT3 H ATOM 37329 H2 TIP3 1017 -20.571 3.587 -7.810 1.00 0.00 WT3 H ATOM 37330 OH2 TIP3 1018 3.907 -4.996 4.154 1.00 0.00 WT3 O ATOM 37331 H1 TIP3 1018 3.323 -12.814 2.535 1.00 0.00 WT3 H ATOM 37332 H2 TIP3 1018 6.726 -4.112 -13.802 1.00 0.00 WT3 H ATOM 37333 OH2 TIP3 1020 -3.532 6.210 9.259 1.00 0.00 WT3 O ATOM 37334 H1 TIP3 1020 -6.639 9.904 7.811 1.00 0.00 WT3 H ATOM 37335 H2 TIP3 1020 3.896 -9.078 11.988 1.00 0.00 WT3 H ATOM 37336 OH2 TIP3 1022 1.670 3.124 2.865 1.00 0.00 WT3 O ATOM 37337 H1 TIP3 1022 2.491 16.121 4.156 1.00 0.00 WT3 H ATOM 37338 H2 TIP3 1022 8.860 17.879 13.079 1.00 0.00 WT3 H ATOM 37339 OH2 TIP3 1023 -3.478 -9.026 -9.177 1.00 0.00 WT3 O ATOM 37340 H1 TIP3 1023 13.483 2.810 -26.828 1.00 0.00 WT3 H ATOM 37341 H2 TIP3 1023 7.120 -13.136 14.295 1.00 0.00 WT3 H ATOM 37342 OH2 TIP3 1025 -5.802 7.744 2.543 1.00 0.00 WT3 O ATOM 37343 H1 TIP3 1025 -6.439 10.112 5.833 1.00 0.00 WT3 H ATOM 37344 H2 TIP3 1025 -18.851 -13.471 5.883 1.00 0.00 WT3 H ATOM 37345 OH2 TIP3 1026 -2.600 -3.346 -5.020 1.00 0.00 WT3 O ATOM 37346 H1 TIP3 1026 -1.202 8.225 6.746 1.00 0.00 WT3 H ATOM 37347 H2 TIP3 1026 -5.201 -16.972 4.207 1.00 0.00 WT3 H ATOM 37348 OH2 TIP3 1027 -2.791 3.548 -0.609 1.00 0.00 WT3 O ATOM 37349 H1 TIP3 1027 10.636 10.530 5.646 1.00 0.00 WT3 H ATOM 37350 H2 TIP3 1027 -0.091 -0.839 5.288 1.00 0.00 WT3 H ATOM 37351 OH2 TIP3 1028 -2.683 -5.653 2.814 1.00 0.00 WT3 O ATOM 37352 H1 TIP3 1028 4.521 -18.206 -3.635 1.00 0.00 WT3 H ATOM 37353 H2 TIP3 1028 -6.384 -1.171 16.173 1.00 0.00 WT3 H ATOM 37354 OH2 TIP3 1029 1.378 1.497 2.337 1.00 0.00 WT3 O ATOM 37355 H1 TIP3 1029 -9.915 -17.061 -8.872 1.00 0.00 WT3 H ATOM 37356 H2 TIP3 1029 0.769 -1.608 3.074 1.00 0.00 WT3 H ATOM 37357 OH2 TIP3 1030 -2.307 -0.397 -3.778 1.00 0.00 WT3 O ATOM 37358 H1 TIP3 1030 -5.222 10.399 -6.509 1.00 0.00 WT3 H ATOM 37359 H2 TIP3 1030 7.406 -8.825 6.051 1.00 0.00 WT3 H ATOM 37360 OH2 TIP3 1031 1.470 7.665 1.096 1.00 0.00 WT3 O ATOM 37361 H1 TIP3 1031 0.075 5.454 2.913 1.00 0.00 WT3 H ATOM 37362 H2 TIP3 1031 2.574 6.719 4.047 1.00 0.00 WT3 H ATOM 37363 OH2 TIP3 1032 5.800 8.173 -0.381 1.00 0.00 WT3 O ATOM 37364 H1 TIP3 1032 28.294 -2.289 2.204 1.00 0.00 WT3 H ATOM 37365 H2 TIP3 1032 22.067 -1.632 6.064 1.00 0.00 WT3 H ATOM 37366 OH2 TIP3 1033 -5.431 8.260 10.696 1.00 0.00 WT3 O ATOM 37367 H1 TIP3 1033 -10.227 2.487 28.686 1.00 0.00 WT3 H ATOM 37368 H2 TIP3 1033 1.649 -6.478 2.666 1.00 0.00 WT3 H ATOM 37369 OH2 TIP3 1035 -1.214 2.095 -8.486 1.00 0.00 WT3 O ATOM 37370 H1 TIP3 1035 -3.767 23.317 -3.996 1.00 0.00 WT3 H ATOM 37371 H2 TIP3 1035 -0.944 -15.402 -5.473 1.00 0.00 WT3 H ATOM 37372 OH2 TIP3 1036 7.715 1.406 0.579 1.00 0.00 WT3 O ATOM 37373 H1 TIP3 1036 -2.514 -0.049 8.108 1.00 0.00 WT3 H ATOM 37374 H2 TIP3 1036 -20.413 -13.096 11.216 1.00 0.00 WT3 H ATOM 37375 OH2 TIP3 1040 3.491 -1.558 1.174 1.00 0.00 WT3 O ATOM 37376 H1 TIP3 1040 -7.358 -7.548 -4.043 1.00 0.00 WT3 H ATOM 37377 H2 TIP3 1040 8.292 1.624 1.896 1.00 0.00 WT3 H ATOM 37378 OH2 TIP3 1041 -2.696 -2.079 2.276 1.00 0.00 WT3 O ATOM 37379 H1 TIP3 1041 23.250 -27.121 4.751 1.00 0.00 WT3 H ATOM 37380 H2 TIP3 1041 -27.558 -3.889 1.996 1.00 0.00 WT3 H ATOM 37381 OH2 TIP3 1042 1.983 -2.889 -2.980 1.00 0.00 WT3 O ATOM 37382 H1 TIP3 1042 11.306 -5.724 -8.555 1.00 0.00 WT3 H ATOM 37383 H2 TIP3 1042 8.484 -13.882 5.964 1.00 0.00 WT3 H ATOM 37384 OH2 TIP3 1043 -1.636 0.795 8.963 1.00 0.00 WT3 O ATOM 37385 H1 TIP3 1043 4.656 5.667 8.020 1.00 0.00 WT3 H ATOM 37386 H2 TIP3 1043 1.365 5.922 0.171 1.00 0.00 WT3 H ATOM 37387 OH2 TIP3 1044 0.930 2.186 1.384 1.00 0.00 WT3 O ATOM 37388 H1 TIP3 1044 5.382 -3.159 6.950 1.00 0.00 WT3 H ATOM 37389 H2 TIP3 1044 -2.632 2.554 -7.784 1.00 0.00 WT3 H ATOM 37390 OH2 TIP3 1045 -3.602 -3.045 -4.113 1.00 0.00 WT3 O ATOM 37391 H1 TIP3 1045 1.538 3.177 0.163 1.00 0.00 WT3 H ATOM 37392 H2 TIP3 1045 -0.487 -2.979 -13.546 1.00 0.00 WT3 H ATOM 37393 OH2 TIP3 1046 1.651 -0.190 1.433 1.00 0.00 WT3 O ATOM 37394 H1 TIP3 1046 7.954 -4.364 -3.748 1.00 0.00 WT3 H ATOM 37395 H2 TIP3 1046 4.598 8.607 1.628 1.00 0.00 WT3 H ATOM 37396 OH2 TIP3 1047 2.284 -0.137 2.342 1.00 0.00 WT3 O ATOM 37397 H1 TIP3 1047 4.453 -15.860 18.423 1.00 0.00 WT3 H ATOM 37398 H2 TIP3 1047 4.831 -28.455 0.974 1.00 0.00 WT3 H ATOM 37399 OH2 TIP3 1048 -9.956 -4.708 5.765 1.00 0.00 WT3 O ATOM 37400 H1 TIP3 1048 -25.366 8.882 -4.043 1.00 0.00 WT3 H ATOM 37401 H2 TIP3 1048 -6.334 11.128 25.990 1.00 0.00 WT3 H ATOM 37402 OH2 TIP3 1050 -4.679 5.430 5.372 1.00 0.00 WT3 O ATOM 37403 H1 TIP3 1050 -3.271 5.977 3.358 1.00 0.00 WT3 H ATOM 37404 H2 TIP3 1050 -16.458 5.803 9.222 1.00 0.00 WT3 H ATOM 37405 OH2 TIP3 1051 4.575 -0.685 -1.389 1.00 0.00 WT3 O ATOM 37406 H1 TIP3 1051 9.559 -0.456 4.177 1.00 0.00 WT3 H ATOM 37407 H2 TIP3 1051 7.807 -1.169 -8.462 1.00 0.00 WT3 H ATOM 37408 OH2 TIP3 1052 -4.943 2.707 6.234 1.00 0.00 WT3 O ATOM 37409 H1 TIP3 1052 -12.604 6.406 4.246 1.00 0.00 WT3 H ATOM 37410 H2 TIP3 1052 21.182 19.306 7.055 1.00 0.00 WT3 H ATOM 37411 OH2 TIP3 1053 -1.265 -1.347 1.430 1.00 0.00 WT3 O ATOM 37412 H1 TIP3 1053 -3.001 2.106 -25.352 1.00 0.00 WT3 H ATOM 37413 H2 TIP3 1053 -9.732 -8.360 -4.717 1.00 0.00 WT3 H ATOM 37414 OH2 TIP3 1054 -1.073 0.169 5.718 1.00 0.00 WT3 O ATOM 37415 H1 TIP3 1054 12.924 -0.400 35.689 1.00 0.00 WT3 H ATOM 37416 H2 TIP3 1054 9.037 1.290 14.533 1.00 0.00 WT3 H ATOM 37417 OH2 TIP3 1055 -3.397 1.474 0.133 1.00 0.00 WT3 O ATOM 37418 H1 TIP3 1055 8.280 4.301 26.799 1.00 0.00 WT3 H ATOM 37419 H2 TIP3 1055 -3.745 -0.807 1.266 1.00 0.00 WT3 H ATOM 37420 OH2 TIP3 1058 1.678 -0.499 0.089 1.00 0.00 WT3 O ATOM 37421 H1 TIP3 1058 9.204 -27.223 4.944 1.00 0.00 WT3 H ATOM 37422 H2 TIP3 1058 -6.163 -1.080 -28.239 1.00 0.00 WT3 H ATOM 37423 OH2 TIP3 1059 1.492 5.106 6.640 1.00 0.00 WT3 O ATOM 37424 H1 TIP3 1059 4.149 9.083 17.318 1.00 0.00 WT3 H ATOM 37425 H2 TIP3 1059 0.490 2.485 1.998 1.00 0.00 WT3 H ATOM 37426 OH2 TIP3 1060 -2.425 6.733 4.173 1.00 0.00 WT3 O ATOM 37427 H1 TIP3 1060 -2.613 7.125 4.481 1.00 0.00 WT3 H ATOM 37428 H2 TIP3 1060 -3.135 7.864 3.481 1.00 0.00 WT3 H ATOM 37429 OH2 TIP3 1061 4.927 -1.478 -0.169 1.00 0.00 WT3 O ATOM 37430 H1 TIP3 1061 -4.762 16.962 3.850 1.00 0.00 WT3 H ATOM 37431 H2 TIP3 1061 9.352 -7.713 -10.563 1.00 0.00 WT3 H ATOM 37432 OH2 TIP3 1062 3.977 4.269 2.759 1.00 0.00 WT3 O ATOM 37433 H1 TIP3 1062 8.131 4.687 2.312 1.00 0.00 WT3 H ATOM 37434 H2 TIP3 1062 -1.032 4.172 3.198 1.00 0.00 WT3 H ATOM 37435 OH2 TIP3 1063 2.032 4.656 -6.877 1.00 0.00 WT3 O ATOM 37436 H1 TIP3 1063 2.333 -4.997 -6.334 1.00 0.00 WT3 H ATOM 37437 H2 TIP3 1063 1.010 -11.365 1.589 1.00 0.00 WT3 H ATOM 37438 OH2 TIP3 1067 4.559 2.067 -3.255 1.00 0.00 WT3 O ATOM 37439 H1 TIP3 1067 6.800 -14.684 -2.063 1.00 0.00 WT3 H ATOM 37440 H2 TIP3 1067 -12.089 4.307 2.301 1.00 0.00 WT3 H ATOM 37441 OH2 TIP3 1068 -0.838 3.855 -1.451 1.00 0.00 WT3 O ATOM 37442 H1 TIP3 1068 6.005 7.695 -14.876 1.00 0.00 WT3 H ATOM 37443 H2 TIP3 1068 -15.845 -4.198 28.731 1.00 0.00 WT3 H ATOM 37444 OH2 TIP3 1069 1.514 -6.989 4.851 1.00 0.00 WT3 O ATOM 37445 H1 TIP3 1069 25.001 1.121 -9.737 1.00 0.00 WT3 H ATOM 37446 H2 TIP3 1069 5.804 -12.275 6.118 1.00 0.00 WT3 H ATOM 37447 OH2 TIP3 1070 2.124 2.911 2.929 1.00 0.00 WT3 O ATOM 37448 H1 TIP3 1070 -1.509 -7.774 10.032 1.00 0.00 WT3 H ATOM 37449 H2 TIP3 1070 -1.649 -5.532 6.333 1.00 0.00 WT3 H ATOM 37450 OH2 TIP3 1071 4.692 -1.193 -0.949 1.00 0.00 WT3 O ATOM 37451 H1 TIP3 1071 17.967 -21.219 -5.668 1.00 0.00 WT3 H ATOM 37452 H2 TIP3 1071 6.199 35.196 -7.264 1.00 0.00 WT3 H ATOM 37453 OH2 TIP3 1074 2.328 2.093 0.257 1.00 0.00 WT3 O ATOM 37454 H1 TIP3 1074 -14.459 -8.353 -14.037 1.00 0.00 WT3 H ATOM 37455 H2 TIP3 1074 3.121 3.321 8.906 1.00 0.00 WT3 H ATOM 37456 OH2 TIP3 1076 -1.656 6.254 -0.699 1.00 0.00 WT3 O ATOM 37457 H1 TIP3 1076 6.756 -11.454 14.643 1.00 0.00 WT3 H ATOM 37458 H2 TIP3 1076 11.501 -13.110 1.876 1.00 0.00 WT3 H ATOM 37459 OH2 TIP3 1079 -2.477 -2.283 6.983 1.00 0.00 WT3 O ATOM 37460 H1 TIP3 1079 -12.603 -11.165 23.942 1.00 0.00 WT3 H ATOM 37461 H2 TIP3 1079 8.480 16.931 12.106 1.00 0.00 WT3 H ATOM 37462 OH2 TIP3 1080 2.407 -8.316 -2.883 1.00 0.00 WT3 O ATOM 37463 H1 TIP3 1080 -6.027 8.493 10.909 1.00 0.00 WT3 H ATOM 37464 H2 TIP3 1080 12.222 -21.177 -22.196 1.00 0.00 WT3 H ATOM 37465 OH2 TIP3 1082 -6.056 -5.193 -4.917 1.00 0.00 WT3 O ATOM 37466 H1 TIP3 1082 -8.422 3.814 1.350 1.00 0.00 WT3 H ATOM 37467 H2 TIP3 1082 -2.980 -1.088 -14.077 1.00 0.00 WT3 H ATOM 37468 OH2 TIP3 1084 1.384 -1.805 -3.239 1.00 0.00 WT3 O ATOM 37469 H1 TIP3 1084 3.204 -8.750 18.000 1.00 0.00 WT3 H ATOM 37470 H2 TIP3 1084 5.284 13.863 -21.992 1.00 0.00 WT3 H ATOM 37471 OH2 TIP3 1085 -1.420 -0.631 -7.866 1.00 0.00 WT3 O ATOM 37472 H1 TIP3 1085 -11.899 -11.998 -20.637 1.00 0.00 WT3 H ATOM 37473 H2 TIP3 1085 19.030 12.652 -14.565 1.00 0.00 WT3 H ATOM 37474 OH2 TIP3 1086 1.084 -0.541 -5.234 1.00 0.00 WT3 O ATOM 37475 H1 TIP3 1086 -2.897 25.884 4.130 1.00 0.00 WT3 H ATOM 37476 H2 TIP3 1086 -9.350 21.200 -14.160 1.00 0.00 WT3 H ATOM 37477 OH2 TIP3 1087 3.067 0.755 2.142 1.00 0.00 WT3 O ATOM 37478 H1 TIP3 1087 5.529 -3.135 -2.877 1.00 0.00 WT3 H ATOM 37479 H2 TIP3 1087 3.977 6.276 3.142 1.00 0.00 WT3 H ATOM 37480 OH2 TIP3 1088 -11.428 -0.052 -0.026 1.00 0.00 WT3 O ATOM 37481 H1 TIP3 1088 -17.896 -10.076 -4.623 1.00 0.00 WT3 H ATOM 37482 H2 TIP3 1088 -0.099 5.110 2.456 1.00 0.00 WT3 H ATOM 37483 OH2 TIP3 1090 -2.971 1.591 -0.406 1.00 0.00 WT3 O ATOM 37484 H1 TIP3 1090 -11.889 -20.475 -16.884 1.00 0.00 WT3 H ATOM 37485 H2 TIP3 1090 9.870 1.283 9.075 1.00 0.00 WT3 H ATOM 37486 OH2 TIP3 1094 6.981 -0.013 -2.361 1.00 0.00 WT3 O ATOM 37487 H1 TIP3 1094 18.915 12.200 -14.187 1.00 0.00 WT3 H ATOM 37488 H2 TIP3 1094 14.559 7.521 6.678 1.00 0.00 WT3 H ATOM 37489 OH2 TIP3 1096 1.104 4.960 3.602 1.00 0.00 WT3 O ATOM 37490 H1 TIP3 1096 3.592 6.971 12.964 1.00 0.00 WT3 H ATOM 37491 H2 TIP3 1096 0.270 -2.445 -2.297 1.00 0.00 WT3 H ATOM 37492 OH2 TIP3 1098 1.727 4.327 -4.774 1.00 0.00 WT3 O ATOM 37493 H1 TIP3 1098 -5.916 8.072 -11.616 1.00 0.00 WT3 H ATOM 37494 H2 TIP3 1098 -5.508 2.603 -0.112 1.00 0.00 WT3 H ATOM 37495 OH2 TIP3 1100 -3.709 -5.165 5.691 1.00 0.00 WT3 O ATOM 37496 H1 TIP3 1100 6.740 7.640 11.521 1.00 0.00 WT3 H ATOM 37497 H2 TIP3 1100 7.114 7.748 10.797 1.00 0.00 WT3 H ATOM 37498 OH2 TIP3 1102 4.741 1.801 4.356 1.00 0.00 WT3 O ATOM 37499 H1 TIP3 1102 20.211 1.825 -0.442 1.00 0.00 WT3 H ATOM 37500 H2 TIP3 1102 5.972 1.066 3.987 1.00 0.00 WT3 H ATOM 37501 OH2 TIP3 1103 -3.208 -4.941 -5.639 1.00 0.00 WT3 O ATOM 37502 H1 TIP3 1103 15.618 2.835 -1.186 1.00 0.00 WT3 H ATOM 37503 H2 TIP3 1103 -9.191 -14.037 4.887 1.00 0.00 WT3 H ATOM 37504 OH2 TIP3 1107 0.797 -3.826 3.259 1.00 0.00 WT3 O ATOM 37505 H1 TIP3 1107 -16.561 -23.711 -22.228 1.00 0.00 WT3 H ATOM 37506 H2 TIP3 1107 2.255 -32.512 -13.057 1.00 0.00 WT3 H ATOM 37507 OH2 TIP3 1108 0.000 4.818 -4.573 1.00 0.00 WT3 O ATOM 37508 H1 TIP3 1108 -3.710 -13.661 -9.092 1.00 0.00 WT3 H ATOM 37509 H2 TIP3 1108 4.753 -9.901 -4.522 1.00 0.00 WT3 H ATOM 37510 OH2 TIP3 1112 -6.481 0.075 -1.370 1.00 0.00 WT3 O ATOM 37511 H1 TIP3 1112 -12.959 -2.529 -7.395 1.00 0.00 WT3 H ATOM 37512 H2 TIP3 1112 -22.007 -1.722 0.655 1.00 0.00 WT3 H ATOM 37513 OH2 TIP3 1115 2.917 -1.544 0.653 1.00 0.00 WT3 O ATOM 37514 H1 TIP3 1115 5.508 -25.996 4.054 1.00 0.00 WT3 H ATOM 37515 H2 TIP3 1115 -9.165 -6.139 -4.245 1.00 0.00 WT3 H ATOM 37516 OH2 TIP3 1117 -4.627 -4.206 0.478 1.00 0.00 WT3 O ATOM 37517 H1 TIP3 1117 19.393 1.593 -4.985 1.00 0.00 WT3 H ATOM 37518 H2 TIP3 1117 2.867 -18.302 -6.364 1.00 0.00 WT3 H ATOM 37519 OH2 TIP3 1118 6.862 -1.742 -4.272 1.00 0.00 WT3 O ATOM 37520 H1 TIP3 1118 14.793 9.649 8.647 1.00 0.00 WT3 H ATOM 37521 H2 TIP3 1118 10.817 -12.064 1.845 1.00 0.00 WT3 H ATOM 37522 OH2 TIP3 1119 -1.997 4.807 0.536 1.00 0.00 WT3 O ATOM 37523 H1 TIP3 1119 -3.516 9.549 -14.351 1.00 0.00 WT3 H ATOM 37524 H2 TIP3 1119 -16.214 7.203 7.351 1.00 0.00 WT3 H ATOM 37525 OH2 TIP3 1120 0.053 3.216 -0.258 1.00 0.00 WT3 O ATOM 37526 H1 TIP3 1120 -10.698 -15.261 19.512 1.00 0.00 WT3 H ATOM 37527 H2 TIP3 1120 -7.334 -0.610 4.658 1.00 0.00 WT3 H ATOM 37528 OH2 TIP3 1122 -6.912 -4.585 -0.207 1.00 0.00 WT3 O ATOM 37529 H1 TIP3 1122 29.720 14.021 -11.289 1.00 0.00 WT3 H ATOM 37530 H2 TIP3 1122 -14.079 -14.950 8.495 1.00 0.00 WT3 H ATOM 37531 OH2 TIP3 1124 5.790 3.782 6.909 1.00 0.00 WT3 O ATOM 37532 H1 TIP3 1124 -0.898 -1.810 -4.937 1.00 0.00 WT3 H ATOM 37533 H2 TIP3 1124 -4.755 6.949 -4.950 1.00 0.00 WT3 H ATOM 37534 OH2 TIP3 1127 -6.704 -2.756 -0.493 1.00 0.00 WT3 O ATOM 37535 H1 TIP3 1127 -12.434 14.044 19.014 1.00 0.00 WT3 H ATOM 37536 H2 TIP3 1127 12.152 10.762 -13.581 1.00 0.00 WT3 H ATOM 37537 OH2 TIP3 1129 -0.656 1.154 -4.962 1.00 0.00 WT3 O ATOM 37538 H1 TIP3 1129 -0.903 9.891 -14.273 1.00 0.00 WT3 H ATOM 37539 H2 TIP3 1129 -12.605 -13.355 -8.538 1.00 0.00 WT3 H ATOM 37540 OH2 TIP3 1131 2.553 -3.128 -4.074 1.00 0.00 WT3 O ATOM 37541 H1 TIP3 1131 9.068 -4.257 9.573 1.00 0.00 WT3 H ATOM 37542 H2 TIP3 1131 13.918 2.963 -19.138 1.00 0.00 WT3 H ATOM 37543 OH2 TIP3 1137 0.196 0.301 -1.688 1.00 0.00 WT3 O ATOM 37544 H1 TIP3 1137 4.456 -5.761 -25.595 1.00 0.00 WT3 H ATOM 37545 H2 TIP3 1137 3.676 -15.921 12.610 1.00 0.00 WT3 H ATOM 37546 OH2 TIP3 1145 3.923 -1.628 5.480 1.00 0.00 WT3 O ATOM 37547 H1 TIP3 1145 16.665 -4.385 5.450 1.00 0.00 WT3 H ATOM 37548 H2 TIP3 1145 0.748 -3.609 7.034 1.00 0.00 WT3 H ATOM 37549 OH2 TIP3 1147 -6.891 -1.666 -3.504 1.00 0.00 WT3 O ATOM 37550 H1 TIP3 1147 -8.134 -0.631 -5.551 1.00 0.00 WT3 H ATOM 37551 H2 TIP3 1147 16.067 -11.305 -2.895 1.00 0.00 WT3 H ATOM 37552 OH2 TIP3 1148 -3.067 4.581 -0.136 1.00 0.00 WT3 O ATOM 37553 H1 TIP3 1148 27.927 23.177 -25.093 1.00 0.00 WT3 H ATOM 37554 H2 TIP3 1148 14.054 13.464 -16.785 1.00 0.00 WT3 H ATOM 37555 OH2 TIP3 1151 0.363 0.921 -2.248 1.00 0.00 WT3 O ATOM 37556 H1 TIP3 1151 -3.158 18.163 -4.799 1.00 0.00 WT3 H ATOM 37557 H2 TIP3 1151 2.139 2.440 -3.260 1.00 0.00 WT3 H ATOM 37558 OH2 TIP3 1164 -1.347 0.489 -5.767 1.00 0.00 WT3 O ATOM 37559 H1 TIP3 1164 1.162 -6.137 -5.857 1.00 0.00 WT3 H ATOM 37560 H2 TIP3 1164 4.206 4.261 -5.405 1.00 0.00 WT3 H ATOM 37561 OH2 TIP3 1165 0.565 4.541 5.728 1.00 0.00 WT3 O ATOM 37562 H1 TIP3 1165 -10.599 7.866 29.516 1.00 0.00 WT3 H ATOM 37563 H2 TIP3 1165 30.469 -0.788 18.158 1.00 0.00 WT3 H ATOM 37564 OH2 TIP3 1186 -5.038 -3.567 -5.435 1.00 0.00 WT3 O ATOM 37565 H1 TIP3 1186 -24.720 7.095 1.978 1.00 0.00 WT3 H ATOM 37566 H2 TIP3 1186 0.470 -26.533 -1.578 1.00 0.00 WT3 H ATOM 37567 OH2 TIP3 1190 1.221 -5.588 -0.748 1.00 0.00 WT3 O ATOM 37568 H1 TIP3 1190 -8.219 19.040 12.803 1.00 0.00 WT3 H ATOM 37569 H2 TIP3 1190 1.513 -13.850 5.444 1.00 0.00 WT3 H ATOM 37570 OH2 TIP3 1201 3.362 0.779 0.401 1.00 0.00 WT3 O ATOM 37571 H1 TIP3 1201 9.096 24.635 16.179 1.00 0.00 WT3 H ATOM 37572 H2 TIP3 1201 10.023 -1.684 -8.157 1.00 0.00 WT3 H ATOM 37573 OH2 TIP3 1253 1.687 -4.932 5.595 1.00 0.00 WT3 O ATOM 37574 H1 TIP3 1253 -10.013 7.527 -9.659 1.00 0.00 WT3 H ATOM 37575 H2 TIP3 1253 -3.200 21.162 14.132 1.00 0.00 WT3 H ATOM 37576 OH2 TIP3 1272 6.694 -0.214 1.673 1.00 0.00 WT3 O ATOM 37577 H1 TIP3 1272 -3.664 -6.449 -10.075 1.00 0.00 WT3 H ATOM 37578 H2 TIP3 1272 -2.281 -10.686 -0.605 1.00 0.00 WT3 H ATOM 37579 OH2 TIP3 1274 3.153 0.578 -4.879 1.00 0.00 WT3 O ATOM 37580 H1 TIP3 1274 11.743 -3.536 8.102 1.00 0.00 WT3 H ATOM 37581 H2 TIP3 1274 -3.810 3.231 -20.303 1.00 0.00 WT3 H ATOM 37582 OH2 TIP3 1297 3.916 1.281 -6.025 1.00 0.00 WT3 O ATOM 37583 H1 TIP3 1297 -18.822 -1.419 2.534 1.00 0.00 WT3 H ATOM 37584 H2 TIP3 1297 -13.223 5.207 4.397 1.00 0.00 WT3 H ATOM 37585 OH2 TIP3 1298 4.441 1.522 -1.723 1.00 0.00 WT3 O ATOM 37586 H1 TIP3 1298 -3.271 12.370 -7.355 1.00 0.00 WT3 H ATOM 37587 H2 TIP3 1298 16.746 -8.896 1.169 1.00 0.00 WT3 H ATOM 37588 OH2 TIP3 1301 7.724 5.676 0.649 1.00 0.00 WT3 O ATOM 37589 H1 TIP3 1301 3.381 6.577 12.892 1.00 0.00 WT3 H ATOM 37590 H2 TIP3 1301 14.946 7.917 -21.151 1.00 0.00 WT3 H ATOM 37591 OH2 TIP3 1305 0.134 4.471 4.512 1.00 0.00 WT3 O ATOM 37592 H1 TIP3 1305 26.721 12.534 0.442 1.00 0.00 WT3 H ATOM 37593 H2 TIP3 1305 2.634 -3.580 22.194 1.00 0.00 WT3 H ATOM 37594 OH2 TIP3 1307 1.303 -2.590 -0.713 1.00 0.00 WT3 O ATOM 37595 H1 TIP3 1307 -2.998 1.622 0.612 1.00 0.00 WT3 H ATOM 37596 H2 TIP3 1307 13.509 1.107 3.050 1.00 0.00 WT3 H ATOM 37597 OH2 TIP3 1308 3.508 6.743 -0.564 1.00 0.00 WT3 O ATOM 37598 H1 TIP3 1308 9.768 7.909 0.273 1.00 0.00 WT3 H ATOM 37599 H2 TIP3 1308 -15.845 -8.456 -19.042 1.00 0.00 WT3 H ATOM 37600 OH2 TIP3 1311 1.164 -0.306 2.433 1.00 0.00 WT3 O ATOM 37601 H1 TIP3 1311 9.634 22.774 -15.420 1.00 0.00 WT3 H ATOM 37602 H2 TIP3 1311 7.010 -15.687 -6.484 1.00 0.00 WT3 H ATOM 37603 OH2 TIP3 1313 -2.040 -5.323 9.273 1.00 0.00 WT3 O ATOM 37604 H1 TIP3 1313 -11.205 -9.525 20.653 1.00 0.00 WT3 H ATOM 37605 H2 TIP3 1313 2.849 9.792 -9.343 1.00 0.00 WT3 H ATOM 37606 OH2 TIP3 1317 -2.387 -0.328 4.190 1.00 0.00 WT3 O ATOM 37607 H1 TIP3 1317 18.243 0.666 23.896 1.00 0.00 WT3 H ATOM 37608 H2 TIP3 1317 -32.898 -6.673 -4.455 1.00 0.00 WT3 H ATOM 37609 OH2 TIP3 1321 6.549 6.862 5.089 1.00 0.00 WT3 O ATOM 37610 H1 TIP3 1321 4.451 20.208 -3.513 1.00 0.00 WT3 H ATOM 37611 H2 TIP3 1321 7.749 2.321 8.395 1.00 0.00 WT3 H ATOM 37612 OH2 TIP3 1322 -6.633 -2.143 -0.349 1.00 0.00 WT3 O ATOM 37613 H1 TIP3 1322 19.153 -4.665 -2.020 1.00 0.00 WT3 H ATOM 37614 H2 TIP3 1322 -0.165 -2.836 -0.863 1.00 0.00 WT3 H ATOM 37615 OH2 TIP3 1326 -1.467 -3.039 -5.564 1.00 0.00 WT3 O ATOM 37616 H1 TIP3 1326 0.792 2.177 -11.117 1.00 0.00 WT3 H ATOM 37617 H2 TIP3 1326 -21.037 19.240 -0.414 1.00 0.00 WT3 H ATOM 37618 OH2 TIP3 1327 -0.057 -5.669 1.921 1.00 0.00 WT3 O ATOM 37619 H1 TIP3 1327 -11.092 7.316 -8.174 1.00 0.00 WT3 H ATOM 37620 H2 TIP3 1327 -2.813 8.043 -13.705 1.00 0.00 WT3 H ATOM 37621 OH2 TIP3 1328 -3.610 5.675 2.881 1.00 0.00 WT3 O ATOM 37622 H1 TIP3 1328 -25.051 -1.755 -3.304 1.00 0.00 WT3 H ATOM 37623 H2 TIP3 1328 9.099 -13.050 5.863 1.00 0.00 WT3 H ATOM 37624 OH2 TIP3 1329 3.134 2.473 -0.242 1.00 0.00 WT3 O ATOM 37625 H1 TIP3 1329 -2.298 -3.416 -7.840 1.00 0.00 WT3 H ATOM 37626 H2 TIP3 1329 7.585 12.485 6.584 1.00 0.00 WT3 H ATOM 37627 OH2 TIP3 1330 3.022 2.256 1.150 1.00 0.00 WT3 O ATOM 37628 H1 TIP3 1330 8.838 -13.565 -3.111 1.00 0.00 WT3 H ATOM 37629 H2 TIP3 1330 6.151 12.040 -12.176 1.00 0.00 WT3 H ATOM 37630 OH2 TIP3 1331 1.654 3.610 2.616 1.00 0.00 WT3 O ATOM 37631 H1 TIP3 1331 -15.149 -1.507 1.463 1.00 0.00 WT3 H ATOM 37632 H2 TIP3 1331 7.863 12.208 10.405 1.00 0.00 WT3 H ATOM 37633 OH2 TIP3 1332 -1.267 -3.632 -2.209 1.00 0.00 WT3 O ATOM 37634 H1 TIP3 1332 -3.074 -8.644 9.018 1.00 0.00 WT3 H ATOM 37635 H2 TIP3 1332 -5.699 -10.209 15.497 1.00 0.00 WT3 H ATOM 37636 OH2 TIP3 1333 -5.390 2.381 3.726 1.00 0.00 WT3 O ATOM 37637 H1 TIP3 1333 -26.529 -13.534 7.911 1.00 0.00 WT3 H ATOM 37638 H2 TIP3 1333 -4.672 8.124 -7.213 1.00 0.00 WT3 H ATOM 37639 OH2 TIP3 1337 0.937 9.390 0.500 1.00 0.00 WT3 O ATOM 37640 H1 TIP3 1337 13.288 -7.160 -1.197 1.00 0.00 WT3 H ATOM 37641 H2 TIP3 1337 -13.497 3.264 14.290 1.00 0.00 WT3 H ATOM 37642 OH2 TIP3 1339 0.533 1.610 -2.233 1.00 0.00 WT3 O ATOM 37643 H1 TIP3 1339 4.778 0.742 -1.102 1.00 0.00 WT3 H ATOM 37644 H2 TIP3 1339 6.087 -9.385 2.050 1.00 0.00 WT3 H ATOM 37645 OH2 TIP3 1340 2.605 2.618 5.185 1.00 0.00 WT3 O ATOM 37646 H1 TIP3 1340 -6.504 14.840 9.281 1.00 0.00 WT3 H ATOM 37647 H2 TIP3 1340 -9.498 0.623 -3.810 1.00 0.00 WT3 H ATOM 37648 OH2 TIP3 1341 3.024 1.583 -8.010 1.00 0.00 WT3 O ATOM 37649 H1 TIP3 1341 -18.162 47.375 1.563 1.00 0.00 WT3 H ATOM 37650 H2 TIP3 1341 -0.536 17.376 -5.184 1.00 0.00 WT3 H ATOM 37651 OH2 TIP3 1342 -0.786 2.565 1.583 1.00 0.00 WT3 O ATOM 37652 H1 TIP3 1342 9.120 -11.475 5.418 1.00 0.00 WT3 H ATOM 37653 H2 TIP3 1342 9.368 -12.398 3.168 1.00 0.00 WT3 H ATOM 37654 OH2 TIP3 1343 7.095 -0.001 -2.703 1.00 0.00 WT3 O ATOM 37655 H1 TIP3 1343 8.507 -2.248 -3.011 1.00 0.00 WT3 H ATOM 37656 H2 TIP3 1343 2.057 5.571 10.051 1.00 0.00 WT3 H ATOM 37657 OH2 TIP3 1344 3.480 4.252 -0.943 1.00 0.00 WT3 O ATOM 37658 H1 TIP3 1344 5.531 7.610 -7.994 1.00 0.00 WT3 H ATOM 37659 H2 TIP3 1344 0.723 -5.300 7.816 1.00 0.00 WT3 H ATOM 37660 OH2 TIP3 1346 -2.266 0.818 -1.126 1.00 0.00 WT3 O ATOM 37661 H1 TIP3 1346 8.603 -17.123 9.408 1.00 0.00 WT3 H ATOM 37662 H2 TIP3 1346 3.930 20.342 9.171 1.00 0.00 WT3 H ATOM 37663 OH2 TIP3 1347 0.393 -2.117 6.657 1.00 0.00 WT3 O ATOM 37664 H1 TIP3 1347 3.006 2.321 -4.406 1.00 0.00 WT3 H ATOM 37665 H2 TIP3 1347 10.584 -13.779 6.553 1.00 0.00 WT3 H ATOM 37666 OH2 TIP3 1348 -8.276 -1.542 0.413 1.00 0.00 WT3 O ATOM 37667 H1 TIP3 1348 -2.418 -0.088 -2.935 1.00 0.00 WT3 H ATOM 37668 H2 TIP3 1348 -1.229 -2.896 4.304 1.00 0.00 WT3 H ATOM 37669 OH2 TIP3 1349 3.389 -2.627 -0.635 1.00 0.00 WT3 O ATOM 37670 H1 TIP3 1349 4.322 -3.075 -15.966 1.00 0.00 WT3 H ATOM 37671 H2 TIP3 1349 -8.664 -4.163 -5.082 1.00 0.00 WT3 H ATOM 37672 OH2 TIP3 1351 0.611 -12.610 4.432 1.00 0.00 WT3 O ATOM 37673 H1 TIP3 1351 -19.018 -17.564 -8.782 1.00 0.00 WT3 H ATOM 37674 H2 TIP3 1351 24.417 -13.492 11.529 1.00 0.00 WT3 H ATOM 37675 OH2 TIP3 1352 4.169 2.682 -2.735 1.00 0.00 WT3 O ATOM 37676 H1 TIP3 1352 1.913 5.917 -13.584 1.00 0.00 WT3 H ATOM 37677 H2 TIP3 1352 11.741 -1.706 22.801 1.00 0.00 WT3 H ATOM 37678 OH2 TIP3 1354 -0.198 -2.893 2.876 1.00 0.00 WT3 O ATOM 37679 H1 TIP3 1354 6.277 1.662 3.807 1.00 0.00 WT3 H ATOM 37680 H2 TIP3 1354 -1.090 1.160 -1.664 1.00 0.00 WT3 H ATOM 37681 OH2 TIP3 1355 -2.488 5.684 4.280 1.00 0.00 WT3 O ATOM 37682 H1 TIP3 1355 11.711 14.272 4.019 1.00 0.00 WT3 H ATOM 37683 H2 TIP3 1355 -14.276 7.727 -13.924 1.00 0.00 WT3 H ATOM 37684 OH2 TIP3 1356 1.773 -4.044 -0.735 1.00 0.00 WT3 O ATOM 37685 H1 TIP3 1356 10.032 -3.697 19.509 1.00 0.00 WT3 H ATOM 37686 H2 TIP3 1356 -9.126 -28.036 9.623 1.00 0.00 WT3 H ATOM 37687 OH2 TIP3 1357 5.282 1.134 1.355 1.00 0.00 WT3 O ATOM 37688 H1 TIP3 1357 -2.975 10.287 0.810 1.00 0.00 WT3 H ATOM 37689 H2 TIP3 1357 -1.955 8.827 1.125 1.00 0.00 WT3 H ATOM 37690 OH2 TIP3 1359 -8.531 -3.564 0.153 1.00 0.00 WT3 O ATOM 37691 H1 TIP3 1359 -8.906 8.441 -12.905 1.00 0.00 WT3 H ATOM 37692 H2 TIP3 1359 -13.533 1.532 5.948 1.00 0.00 WT3 H ATOM 37693 OH2 TIP3 1360 -5.857 0.799 -2.016 1.00 0.00 WT3 O ATOM 37694 H1 TIP3 1360 -7.670 1.332 -2.776 1.00 0.00 WT3 H ATOM 37695 H2 TIP3 1360 0.217 3.287 0.365 1.00 0.00 WT3 H ATOM 37696 OH2 TIP3 1361 3.281 2.997 -1.216 1.00 0.00 WT3 O ATOM 37697 H1 TIP3 1361 3.929 2.874 -4.272 1.00 0.00 WT3 H ATOM 37698 H2 TIP3 1361 4.874 3.477 -7.903 1.00 0.00 WT3 H ATOM 37699 OH2 TIP3 1362 -0.649 1.459 3.657 1.00 0.00 WT3 O ATOM 37700 H1 TIP3 1362 4.613 4.056 -1.426 1.00 0.00 WT3 H ATOM 37701 H2 TIP3 1362 9.844 -2.023 -13.392 1.00 0.00 WT3 H ATOM 37702 OH2 TIP3 1363 0.297 -2.305 -7.197 1.00 0.00 WT3 O ATOM 37703 H1 TIP3 1363 -19.900 13.205 16.369 1.00 0.00 WT3 H ATOM 37704 H2 TIP3 1363 11.990 -12.948 -6.297 1.00 0.00 WT3 H ATOM 37705 OH2 TIP3 1365 -2.478 2.064 -3.006 1.00 0.00 WT3 O ATOM 37706 H1 TIP3 1365 -4.472 0.181 -11.689 1.00 0.00 WT3 H ATOM 37707 H2 TIP3 1365 7.715 1.484 -1.188 1.00 0.00 WT3 H ATOM 37708 OH2 TIP3 1367 -3.243 2.217 4.788 1.00 0.00 WT3 O ATOM 37709 H1 TIP3 1367 10.846 14.270 -9.269 1.00 0.00 WT3 H ATOM 37710 H2 TIP3 1367 6.995 3.362 -3.913 1.00 0.00 WT3 H ATOM 37711 OH2 TIP3 1368 1.694 -2.187 -1.871 1.00 0.00 WT3 O ATOM 37712 H1 TIP3 1368 2.310 25.112 7.978 1.00 0.00 WT3 H ATOM 37713 H2 TIP3 1368 1.691 -0.726 1.644 1.00 0.00 WT3 H ATOM 37714 OH2 TIP3 1369 2.096 1.621 0.115 1.00 0.00 WT3 O ATOM 37715 H1 TIP3 1369 12.769 11.981 -2.161 1.00 0.00 WT3 H ATOM 37716 H2 TIP3 1369 5.889 -4.053 14.284 1.00 0.00 WT3 H ATOM 37717 OH2 TIP3 1370 0.291 -8.076 3.041 1.00 0.00 WT3 O ATOM 37718 H1 TIP3 1370 2.157 -10.474 20.197 1.00 0.00 WT3 H ATOM 37719 H2 TIP3 1370 6.889 -10.625 -35.379 1.00 0.00 WT3 H ATOM 37720 OH2 TIP3 1371 0.156 -1.280 -0.158 1.00 0.00 WT3 O ATOM 37721 H1 TIP3 1371 10.351 -2.949 7.172 1.00 0.00 WT3 H ATOM 37722 H2 TIP3 1371 -0.724 -3.847 -9.664 1.00 0.00 WT3 H ATOM 37723 OH2 TIP3 1372 4.215 -5.366 2.466 1.00 0.00 WT3 O ATOM 37724 H1 TIP3 1372 -5.148 -9.963 13.232 1.00 0.00 WT3 H ATOM 37725 H2 TIP3 1372 8.806 3.999 -0.833 1.00 0.00 WT3 H ATOM 37726 OH2 TIP3 1374 -0.295 3.347 -3.903 1.00 0.00 WT3 O ATOM 37727 H1 TIP3 1374 -0.542 6.345 -13.498 1.00 0.00 WT3 H ATOM 37728 H2 TIP3 1374 7.505 -7.799 -46.580 1.00 0.00 WT3 H ATOM 37729 OH2 TIP3 1375 -6.161 -1.277 -2.533 1.00 0.00 WT3 O ATOM 37730 H1 TIP3 1375 -0.813 5.109 -3.288 1.00 0.00 WT3 H ATOM 37731 H2 TIP3 1375 0.075 2.257 -1.118 1.00 0.00 WT3 H ATOM 37732 OH2 TIP3 1376 0.086 -10.320 -4.391 1.00 0.00 WT3 O ATOM 37733 H1 TIP3 1376 6.500 -15.675 -8.225 1.00 0.00 WT3 H ATOM 37734 H2 TIP3 1376 6.597 -3.950 11.157 1.00 0.00 WT3 H ATOM 37735 OH2 TIP3 1378 -3.919 -5.387 -2.619 1.00 0.00 WT3 O ATOM 37736 H1 TIP3 1378 -5.579 1.510 -3.083 1.00 0.00 WT3 H ATOM 37737 H2 TIP3 1378 13.145 -16.291 -0.338 1.00 0.00 WT3 H ATOM 37738 OH2 TIP3 1379 4.416 -1.196 3.926 1.00 0.00 WT3 O ATOM 37739 H1 TIP3 1379 18.861 14.241 5.588 1.00 0.00 WT3 H ATOM 37740 H2 TIP3 1379 21.052 -20.129 -13.775 1.00 0.00 WT3 H ATOM 37741 OH2 TIP3 1380 -4.843 -6.934 3.107 1.00 0.00 WT3 O ATOM 37742 H1 TIP3 1380 13.725 -26.456 -19.341 1.00 0.00 WT3 H ATOM 37743 H2 TIP3 1380 -4.453 8.035 -10.155 1.00 0.00 WT3 H ATOM 37744 OH2 TIP3 1381 -5.231 -4.387 3.165 1.00 0.00 WT3 O ATOM 37745 H1 TIP3 1381 26.887 -4.735 -5.894 1.00 0.00 WT3 H ATOM 37746 H2 TIP3 1381 2.419 -12.948 -2.848 1.00 0.00 WT3 H ATOM 37747 OH2 TIP3 1382 -2.669 -0.393 4.030 1.00 0.00 WT3 O ATOM 37748 H1 TIP3 1382 17.857 -10.156 -16.368 1.00 0.00 WT3 H ATOM 37749 H2 TIP3 1382 3.141 -22.583 11.629 1.00 0.00 WT3 H ATOM 37750 OH2 TIP3 1383 -8.799 -8.508 6.871 1.00 0.00 WT3 O ATOM 37751 H1 TIP3 1383 -18.908 -26.020 26.160 1.00 0.00 WT3 H ATOM 37752 H2 TIP3 1383 7.570 5.758 -13.971 1.00 0.00 WT3 H ATOM 37753 OH2 TIP3 1387 -0.238 -2.732 1.720 1.00 0.00 WT3 O ATOM 37754 H1 TIP3 1387 0.813 -18.831 1.687 1.00 0.00 WT3 H ATOM 37755 H2 TIP3 1387 11.062 10.679 -28.915 1.00 0.00 WT3 H ATOM 37756 OH2 TIP3 1388 -2.801 0.570 1.041 1.00 0.00 WT3 O ATOM 37757 H1 TIP3 1388 -1.749 -4.925 -19.516 1.00 0.00 WT3 H ATOM 37758 H2 TIP3 1388 -9.038 -11.159 10.780 1.00 0.00 WT3 H ATOM 37759 OH2 TIP3 1389 2.517 -0.528 -0.215 1.00 0.00 WT3 O ATOM 37760 H1 TIP3 1389 8.618 1.638 -3.556 1.00 0.00 WT3 H ATOM 37761 H2 TIP3 1389 -2.122 3.917 -14.273 1.00 0.00 WT3 H ATOM 37762 OH2 TIP3 1390 -1.012 12.815 5.624 1.00 0.00 WT3 O ATOM 37763 H1 TIP3 1390 20.989 15.928 5.807 1.00 0.00 WT3 H ATOM 37764 H2 TIP3 1390 -2.325 -12.912 2.172 1.00 0.00 WT3 H ATOM 37765 OH2 TIP3 1392 -0.415 0.580 2.821 1.00 0.00 WT3 O ATOM 37766 H1 TIP3 1392 -3.481 -14.576 -7.264 1.00 0.00 WT3 H ATOM 37767 H2 TIP3 1392 -16.681 2.198 -1.044 1.00 0.00 WT3 H ATOM 37768 OH2 TIP3 1393 -2.720 -1.680 0.403 1.00 0.00 WT3 O ATOM 37769 H1 TIP3 1393 -24.712 -11.446 5.433 1.00 0.00 WT3 H ATOM 37770 H2 TIP3 1393 -12.451 2.676 1.799 1.00 0.00 WT3 H ATOM 37771 OH2 TIP3 1394 2.103 5.502 -6.558 1.00 0.00 WT3 O ATOM 37772 H1 TIP3 1394 -26.909 -5.475 9.278 1.00 0.00 WT3 H ATOM 37773 H2 TIP3 1394 6.834 1.884 -26.199 1.00 0.00 WT3 H ATOM 37774 OH2 TIP3 1395 -0.355 -5.173 -5.797 1.00 0.00 WT3 O ATOM 37775 H1 TIP3 1395 -2.079 26.422 1.731 1.00 0.00 WT3 H ATOM 37776 H2 TIP3 1395 -13.113 22.120 11.814 1.00 0.00 WT3 H ATOM 37777 OH2 TIP3 1396 5.055 -1.965 -4.141 1.00 0.00 WT3 O ATOM 37778 H1 TIP3 1396 10.414 4.947 -9.315 1.00 0.00 WT3 H ATOM 37779 H2 TIP3 1396 -2.278 -4.738 -10.062 1.00 0.00 WT3 H ATOM 37780 OH2 TIP3 1397 3.495 -0.893 -0.791 1.00 0.00 WT3 O ATOM 37781 H1 TIP3 1397 21.548 -3.149 4.271 1.00 0.00 WT3 H ATOM 37782 H2 TIP3 1397 -1.177 -1.948 -4.818 1.00 0.00 WT3 H ATOM 37783 OH2 TIP3 1398 -0.785 3.891 4.049 1.00 0.00 WT3 O ATOM 37784 H1 TIP3 1398 0.074 16.173 -7.763 1.00 0.00 WT3 H ATOM 37785 H2 TIP3 1398 4.607 -9.675 2.906 1.00 0.00 WT3 H ATOM 37786 OH2 TIP3 1399 -5.848 1.022 2.435 1.00 0.00 WT3 O ATOM 37787 H1 TIP3 1399 -8.517 1.506 4.834 1.00 0.00 WT3 H ATOM 37788 H2 TIP3 1399 -6.371 2.509 0.107 1.00 0.00 WT3 H ATOM 37789 OH2 TIP3 1400 4.428 -0.940 -1.574 1.00 0.00 WT3 O ATOM 37790 H1 TIP3 1400 3.083 -0.496 -0.800 1.00 0.00 WT3 H ATOM 37791 H2 TIP3 1400 7.333 -7.419 -2.676 1.00 0.00 WT3 H ATOM 37792 OH2 TIP3 1401 6.143 0.987 -0.642 1.00 0.00 WT3 O ATOM 37793 H1 TIP3 1401 2.447 1.362 0.108 1.00 0.00 WT3 H ATOM 37794 H2 TIP3 1401 10.987 -3.314 -4.420 1.00 0.00 WT3 H ATOM 37795 OH2 TIP3 1402 4.107 -1.689 5.534 1.00 0.00 WT3 O ATOM 37796 H1 TIP3 1402 -11.450 -9.843 2.727 1.00 0.00 WT3 H ATOM 37797 H2 TIP3 1402 -3.600 -3.977 6.067 1.00 0.00 WT3 H ATOM 37798 OH2 TIP3 1403 2.950 -1.833 1.795 1.00 0.00 WT3 O ATOM 37799 H1 TIP3 1403 23.252 4.115 -17.972 1.00 0.00 WT3 H ATOM 37800 H2 TIP3 1403 7.909 7.946 -1.052 1.00 0.00 WT3 H ATOM 37801 OH2 TIP3 1404 -0.406 -3.705 2.966 1.00 0.00 WT3 O ATOM 37802 H1 TIP3 1404 -9.393 -7.358 -7.760 1.00 0.00 WT3 H ATOM 37803 H2 TIP3 1404 -20.434 -11.065 -20.420 1.00 0.00 WT3 H ATOM 37804 OH2 TIP3 1407 2.188 0.589 2.451 1.00 0.00 WT3 O ATOM 37805 H1 TIP3 1407 -6.758 7.241 -6.631 1.00 0.00 WT3 H ATOM 37806 H2 TIP3 1407 -20.249 11.362 11.388 1.00 0.00 WT3 H ATOM 37807 OH2 TIP3 1408 -0.103 0.099 0.112 1.00 0.00 WT3 O ATOM 37808 H1 TIP3 1408 0.214 2.912 2.477 1.00 0.00 WT3 H ATOM 37809 H2 TIP3 1408 -0.287 5.852 -0.617 1.00 0.00 WT3 H ATOM 37810 OH2 TIP3 1409 4.880 6.784 1.739 1.00 0.00 WT3 O ATOM 37811 H1 TIP3 1409 17.218 6.412 -4.985 1.00 0.00 WT3 H ATOM 37812 H2 TIP3 1409 3.218 20.725 5.401 1.00 0.00 WT3 H ATOM 37813 OH2 TIP3 1411 -0.792 -1.412 -4.057 1.00 0.00 WT3 O ATOM 37814 H1 TIP3 1411 14.071 -2.545 -7.821 1.00 0.00 WT3 H ATOM 37815 H2 TIP3 1411 1.944 -8.221 5.908 1.00 0.00 WT3 H ATOM 37816 OH2 TIP3 1412 -3.790 -5.195 -0.537 1.00 0.00 WT3 O ATOM 37817 H1 TIP3 1412 6.402 -2.093 -8.145 1.00 0.00 WT3 H ATOM 37818 H2 TIP3 1412 -16.166 2.713 -17.223 1.00 0.00 WT3 H ATOM 37819 OH2 TIP3 1413 4.755 2.342 -2.579 1.00 0.00 WT3 O ATOM 37820 H1 TIP3 1413 3.965 4.412 -2.536 1.00 0.00 WT3 H ATOM 37821 H2 TIP3 1413 4.482 4.307 4.272 1.00 0.00 WT3 H ATOM 37822 OH2 TIP3 1414 4.810 0.552 -3.678 1.00 0.00 WT3 O ATOM 37823 H1 TIP3 1414 11.054 11.042 -4.906 1.00 0.00 WT3 H ATOM 37824 H2 TIP3 1414 -4.564 7.042 -4.182 1.00 0.00 WT3 H ATOM 37825 OH2 TIP3 1415 2.339 3.569 2.584 1.00 0.00 WT3 O ATOM 37826 H1 TIP3 1415 11.926 -4.333 -6.378 1.00 0.00 WT3 H ATOM 37827 H2 TIP3 1415 -15.613 -2.785 -7.272 1.00 0.00 WT3 H ATOM 37828 OH2 TIP3 1416 -1.186 4.994 -7.474 1.00 0.00 WT3 O ATOM 37829 H1 TIP3 1416 22.682 -3.322 -1.337 1.00 0.00 WT3 H ATOM 37830 H2 TIP3 1416 5.613 19.713 6.039 1.00 0.00 WT3 H ATOM 37831 OH2 TIP3 1417 2.593 0.863 -7.872 1.00 0.00 WT3 O ATOM 37832 H1 TIP3 1417 -6.519 -5.430 3.226 1.00 0.00 WT3 H ATOM 37833 H2 TIP3 1417 -15.657 -8.842 9.908 1.00 0.00 WT3 H ATOM 37834 OH2 TIP3 1418 -1.985 -2.413 -2.128 1.00 0.00 WT3 O ATOM 37835 H1 TIP3 1418 -12.635 0.666 -1.008 1.00 0.00 WT3 H ATOM 37836 H2 TIP3 1418 7.564 -5.900 -1.627 1.00 0.00 WT3 H ATOM 37837 OH2 TIP3 1419 -5.171 -2.729 -3.649 1.00 0.00 WT3 O ATOM 37838 H1 TIP3 1419 -13.978 -5.678 -2.714 1.00 0.00 WT3 H ATOM 37839 H2 TIP3 1419 -3.975 -13.457 11.439 1.00 0.00 WT3 H ATOM 37840 OH2 TIP3 1420 -4.415 0.665 -0.284 1.00 0.00 WT3 O ATOM 37841 H1 TIP3 1420 -10.480 -10.025 -5.409 1.00 0.00 WT3 H ATOM 37842 H2 TIP3 1420 -20.280 -2.344 -14.052 1.00 0.00 WT3 H ATOM 37843 OH2 TIP3 1421 -4.860 8.678 0.581 1.00 0.00 WT3 O ATOM 37844 H1 TIP3 1421 9.556 17.930 -11.728 1.00 0.00 WT3 H ATOM 37845 H2 TIP3 1421 -7.923 2.971 -3.581 1.00 0.00 WT3 H ATOM 37846 OH2 TIP3 1422 1.729 3.845 0.510 1.00 0.00 WT3 O ATOM 37847 H1 TIP3 1422 -5.007 5.271 -18.611 1.00 0.00 WT3 H ATOM 37848 H2 TIP3 1422 0.385 13.192 17.887 1.00 0.00 WT3 H ATOM 37849 OH2 TIP3 1423 5.810 -6.247 -0.728 1.00 0.00 WT3 O ATOM 37850 H1 TIP3 1423 -5.608 23.560 -2.658 1.00 0.00 WT3 H ATOM 37851 H2 TIP3 1423 -10.007 13.619 -14.855 1.00 0.00 WT3 H ATOM 37852 OH2 TIP3 1424 -9.466 -4.993 1.114 1.00 0.00 WT3 O ATOM 37853 H1 TIP3 1424 2.691 0.388 -21.049 1.00 0.00 WT3 H ATOM 37854 H2 TIP3 1424 5.207 -9.957 0.202 1.00 0.00 WT3 H ATOM 37855 OH2 TIP3 1426 -1.529 2.925 5.096 1.00 0.00 WT3 O ATOM 37856 H1 TIP3 1426 -31.352 -0.855 -4.770 1.00 0.00 WT3 H ATOM 37857 H2 TIP3 1426 16.694 7.246 -27.693 1.00 0.00 WT3 H ATOM 37858 OH2 TIP3 1428 5.016 2.477 -6.496 1.00 0.00 WT3 O ATOM 37859 H1 TIP3 1428 11.444 2.817 -12.423 1.00 0.00 WT3 H ATOM 37860 H2 TIP3 1428 1.011 1.294 -3.123 1.00 0.00 WT3 H ATOM 37861 OH2 TIP3 1429 -7.508 0.651 -3.764 1.00 0.00 WT3 O ATOM 37862 H1 TIP3 1429 -5.284 8.559 -12.603 1.00 0.00 WT3 H ATOM 37863 H2 TIP3 1429 5.148 -10.411 -2.832 1.00 0.00 WT3 H ATOM 37864 OH2 TIP3 1430 -2.030 2.350 -2.683 1.00 0.00 WT3 O ATOM 37865 H1 TIP3 1430 -12.873 3.803 -5.610 1.00 0.00 WT3 H ATOM 37866 H2 TIP3 1430 -12.392 5.057 -5.949 1.00 0.00 WT3 H ATOM 37867 OH2 TIP3 1431 5.552 0.215 4.081 1.00 0.00 WT3 O ATOM 37868 H1 TIP3 1431 4.238 -2.851 -15.361 1.00 0.00 WT3 H ATOM 37869 H2 TIP3 1431 5.922 -2.508 1.603 1.00 0.00 WT3 H ATOM 37870 OH2 TIP3 1433 -6.745 3.605 -5.030 1.00 0.00 WT3 O ATOM 37871 H1 TIP3 1433 12.719 -8.280 7.474 1.00 0.00 WT3 H ATOM 37872 H2 TIP3 1433 -9.146 -16.236 -23.247 1.00 0.00 WT3 H ATOM 37873 OH2 TIP3 1434 -3.777 2.067 2.228 1.00 0.00 WT3 O ATOM 37874 H1 TIP3 1434 -15.090 14.730 -15.476 1.00 0.00 WT3 H ATOM 37875 H2 TIP3 1434 -16.055 -7.408 -3.223 1.00 0.00 WT3 H ATOM 37876 OH2 TIP3 1435 -3.533 1.410 -11.653 1.00 0.00 WT3 O ATOM 37877 H1 TIP3 1435 10.925 2.648 -7.607 1.00 0.00 WT3 H ATOM 37878 H2 TIP3 1435 11.529 8.368 -5.607 1.00 0.00 WT3 H ATOM 37879 OH2 TIP3 1436 2.734 -2.772 -3.498 1.00 0.00 WT3 O ATOM 37880 H1 TIP3 1436 1.593 -27.285 4.130 1.00 0.00 WT3 H ATOM 37881 H2 TIP3 1436 5.782 -14.936 -2.360 1.00 0.00 WT3 H ATOM 37882 OH2 TIP3 1437 -4.287 0.924 1.897 1.00 0.00 WT3 O ATOM 37883 H1 TIP3 1437 2.174 -3.085 8.330 1.00 0.00 WT3 H ATOM 37884 H2 TIP3 1437 -2.814 2.525 1.518 1.00 0.00 WT3 H ATOM 37885 OH2 TIP3 1438 -2.204 1.617 1.550 1.00 0.00 WT3 O ATOM 37886 H1 TIP3 1438 -1.225 3.131 0.966 1.00 0.00 WT3 H ATOM 37887 H2 TIP3 1438 1.113 2.113 3.546 1.00 0.00 WT3 H ATOM 37888 OH2 TIP3 1439 -7.185 2.882 8.450 1.00 0.00 WT3 O ATOM 37889 H1 TIP3 1439 -12.392 -3.478 -19.282 1.00 0.00 WT3 H ATOM 37890 H2 TIP3 1439 -3.140 -9.125 -5.170 1.00 0.00 WT3 H ATOM 37891 OH2 TIP3 1440 -3.091 -1.823 -1.152 1.00 0.00 WT3 O ATOM 37892 H1 TIP3 1440 -32.838 -11.013 -8.376 1.00 0.00 WT3 H ATOM 37893 H2 TIP3 1440 15.645 6.169 2.267 1.00 0.00 WT3 H ATOM 37894 OH2 TIP3 1441 -0.492 -0.239 3.950 1.00 0.00 WT3 O ATOM 37895 H1 TIP3 1441 -4.041 -8.956 10.430 1.00 0.00 WT3 H ATOM 37896 H2 TIP3 1441 -17.238 2.395 -0.807 1.00 0.00 WT3 H ATOM 37897 OH2 TIP3 1442 2.594 1.497 -4.171 1.00 0.00 WT3 O ATOM 37898 H1 TIP3 1442 6.876 -4.517 -5.520 1.00 0.00 WT3 H ATOM 37899 H2 TIP3 1442 4.728 -10.384 -6.621 1.00 0.00 WT3 H ATOM 37900 OH2 TIP3 1444 -6.321 1.939 0.916 1.00 0.00 WT3 O ATOM 37901 H1 TIP3 1444 -8.463 8.810 1.633 1.00 0.00 WT3 H ATOM 37902 H2 TIP3 1444 -7.722 -0.018 1.603 1.00 0.00 WT3 H ATOM 37903 OH2 TIP3 1445 9.261 3.974 9.637 1.00 0.00 WT3 O ATOM 37904 H1 TIP3 1445 9.386 14.001 26.724 1.00 0.00 WT3 H ATOM 37905 H2 TIP3 1445 24.912 -7.769 10.124 1.00 0.00 WT3 H ATOM 37906 OH2 TIP3 1446 3.876 -1.866 1.080 1.00 0.00 WT3 O ATOM 37907 H1 TIP3 1446 -3.337 -9.695 16.143 1.00 0.00 WT3 H ATOM 37908 H2 TIP3 1446 -7.829 -4.250 -11.557 1.00 0.00 WT3 H ATOM 37909 OH2 TIP3 1448 -0.809 1.068 1.417 1.00 0.00 WT3 O ATOM 37910 H1 TIP3 1448 12.584 -5.991 -6.307 1.00 0.00 WT3 H ATOM 37911 H2 TIP3 1448 -8.124 0.676 -13.540 1.00 0.00 WT3 H ATOM 37912 OH2 TIP3 1449 5.388 -0.298 7.611 1.00 0.00 WT3 O ATOM 37913 H1 TIP3 1449 12.919 2.820 9.663 1.00 0.00 WT3 H ATOM 37914 H2 TIP3 1449 6.296 -3.359 3.538 1.00 0.00 WT3 H ATOM 37915 OH2 TIP3 1450 -4.005 2.509 3.350 1.00 0.00 WT3 O ATOM 37916 H1 TIP3 1450 -20.625 -16.047 -18.439 1.00 0.00 WT3 H ATOM 37917 H2 TIP3 1450 5.656 12.699 14.971 1.00 0.00 WT3 H ATOM 37918 OH2 TIP3 1451 -6.499 5.677 3.226 1.00 0.00 WT3 O ATOM 37919 H1 TIP3 1451 12.858 0.574 -11.794 1.00 0.00 WT3 H ATOM 37920 H2 TIP3 1451 32.047 12.180 -3.884 1.00 0.00 WT3 H ATOM 37921 OH2 TIP3 1453 1.705 -1.137 13.818 1.00 0.00 WT3 O ATOM 37922 H1 TIP3 1453 -17.002 11.416 10.608 1.00 0.00 WT3 H ATOM 37923 H2 TIP3 1453 -18.310 6.149 0.857 1.00 0.00 WT3 H ATOM 37924 OH2 TIP3 1454 -3.700 7.046 3.683 1.00 0.00 WT3 O ATOM 37925 H1 TIP3 1454 -12.005 9.084 -2.655 1.00 0.00 WT3 H ATOM 37926 H2 TIP3 1454 -8.160 6.828 0.410 1.00 0.00 WT3 H ATOM 37927 OH2 TIP3 1455 -3.747 1.134 0.904 1.00 0.00 WT3 O ATOM 37928 H1 TIP3 1455 2.812 11.153 11.683 1.00 0.00 WT3 H ATOM 37929 H2 TIP3 1455 -6.976 -4.110 -4.888 1.00 0.00 WT3 H ATOM 37930 OH2 TIP3 1456 1.867 4.319 0.674 1.00 0.00 WT3 O ATOM 37931 H1 TIP3 1456 -4.530 -21.805 11.620 1.00 0.00 WT3 H ATOM 37932 H2 TIP3 1456 -3.573 -20.423 2.548 1.00 0.00 WT3 H ATOM 37933 OH2 TIP3 1457 8.034 -1.428 6.475 1.00 0.00 WT3 O ATOM 37934 H1 TIP3 1457 4.906 -13.257 -10.324 1.00 0.00 WT3 H ATOM 37935 H2 TIP3 1457 -6.699 14.090 11.160 1.00 0.00 WT3 H ATOM 37936 OH2 TIP3 1458 -4.722 -8.970 0.991 1.00 0.00 WT3 O ATOM 37937 H1 TIP3 1458 -0.877 10.346 -16.156 1.00 0.00 WT3 H ATOM 37938 H2 TIP3 1458 -1.604 -17.986 2.183 1.00 0.00 WT3 H ATOM 37939 OH2 TIP3 1459 -1.132 -3.139 3.097 1.00 0.00 WT3 O ATOM 37940 H1 TIP3 1459 -2.210 0.752 -3.632 1.00 0.00 WT3 H ATOM 37941 H2 TIP3 1459 -17.200 -0.588 -6.485 1.00 0.00 WT3 H ATOM 37942 OH2 TIP3 1460 -2.029 -1.533 -2.569 1.00 0.00 WT3 O ATOM 37943 H1 TIP3 1460 -3.819 -10.961 -16.372 1.00 0.00 WT3 H ATOM 37944 H2 TIP3 1460 -17.076 -16.351 -6.230 1.00 0.00 WT3 H ATOM 37945 OH2 TIP3 1461 1.090 1.026 -3.002 1.00 0.00 WT3 O ATOM 37946 H1 TIP3 1461 -13.775 6.323 -6.571 1.00 0.00 WT3 H ATOM 37947 H2 TIP3 1461 -14.818 8.681 -6.580 1.00 0.00 WT3 H ATOM 37948 OH2 TIP3 1462 0.119 -1.187 0.411 1.00 0.00 WT3 O ATOM 37949 H1 TIP3 1462 23.205 -11.166 -4.941 1.00 0.00 WT3 H ATOM 37950 H2 TIP3 1462 -2.356 1.790 -18.034 1.00 0.00 WT3 H ATOM 37951 OH2 TIP3 1463 1.224 0.413 4.803 1.00 0.00 WT3 O ATOM 37952 H1 TIP3 1463 -14.443 -1.522 0.205 1.00 0.00 WT3 H ATOM 37953 H2 TIP3 1463 28.256 2.778 -0.161 1.00 0.00 WT3 H ATOM 37954 OH2 TIP3 1464 -4.136 3.146 -1.031 1.00 0.00 WT3 O ATOM 37955 H1 TIP3 1464 6.336 14.048 -10.166 1.00 0.00 WT3 H ATOM 37956 H2 TIP3 1464 -1.675 5.616 11.741 1.00 0.00 WT3 H ATOM 37957 OH2 TIP3 1465 -4.270 -5.762 2.455 1.00 0.00 WT3 O ATOM 37958 H1 TIP3 1465 -26.966 -5.484 8.357 1.00 0.00 WT3 H ATOM 37959 H2 TIP3 1465 19.999 -8.298 -6.361 1.00 0.00 WT3 H ATOM 37960 OH2 TIP3 1467 -2.214 1.613 -3.078 1.00 0.00 WT3 O ATOM 37961 H1 TIP3 1467 3.501 4.640 -3.806 1.00 0.00 WT3 H ATOM 37962 H2 TIP3 1467 3.466 17.127 3.941 1.00 0.00 WT3 H ATOM 37963 OH2 TIP3 1468 -3.980 6.938 0.421 1.00 0.00 WT3 O ATOM 37964 H1 TIP3 1468 -5.892 6.139 -3.149 1.00 0.00 WT3 H ATOM 37965 H2 TIP3 1468 -6.580 17.431 1.122 1.00 0.00 WT3 H ATOM 37966 OH2 TIP3 1470 2.112 1.533 1.727 1.00 0.00 WT3 O ATOM 37967 H1 TIP3 1470 5.922 4.814 1.357 1.00 0.00 WT3 H ATOM 37968 H2 TIP3 1470 21.994 16.530 2.839 1.00 0.00 WT3 H ATOM 37969 OH2 TIP3 1471 -4.273 2.821 -0.497 1.00 0.00 WT3 O ATOM 37970 H1 TIP3 1471 -8.528 10.131 2.575 1.00 0.00 WT3 H ATOM 37971 H2 TIP3 1471 -11.686 8.931 4.558 1.00 0.00 WT3 H ATOM 37972 OH2 TIP3 1474 -2.228 2.861 0.213 1.00 0.00 WT3 O ATOM 37973 H1 TIP3 1474 -1.950 -19.473 2.148 1.00 0.00 WT3 H ATOM 37974 H2 TIP3 1474 22.695 10.286 -1.993 1.00 0.00 WT3 H ATOM 37975 OH2 TIP3 1475 -3.968 8.543 -1.302 1.00 0.00 WT3 O ATOM 37976 H1 TIP3 1475 -1.989 10.014 -1.105 1.00 0.00 WT3 H ATOM 37977 H2 TIP3 1475 7.349 23.407 18.534 1.00 0.00 WT3 H ATOM 37978 OH2 TIP3 1476 0.723 2.223 11.461 1.00 0.00 WT3 O ATOM 37979 H1 TIP3 1476 -0.137 -0.782 53.150 1.00 0.00 WT3 H ATOM 37980 H2 TIP3 1476 2.711 -0.054 -13.110 1.00 0.00 WT3 H ATOM 37981 OH2 TIP3 1478 -0.729 -6.801 -4.892 1.00 0.00 WT3 O ATOM 37982 H1 TIP3 1478 -5.415 21.413 -9.339 1.00 0.00 WT3 H ATOM 37983 H2 TIP3 1478 2.233 -15.420 -12.558 1.00 0.00 WT3 H ATOM 37984 OH2 TIP3 1479 -0.838 -1.594 -2.310 1.00 0.00 WT3 O ATOM 37985 H1 TIP3 1479 -12.260 19.490 9.408 1.00 0.00 WT3 H ATOM 37986 H2 TIP3 1479 -5.376 10.607 0.180 1.00 0.00 WT3 H ATOM 37987 OH2 TIP3 1480 1.527 2.319 2.165 1.00 0.00 WT3 O ATOM 37988 H1 TIP3 1480 0.428 -0.911 -8.026 1.00 0.00 WT3 H ATOM 37989 H2 TIP3 1480 12.656 -0.436 4.666 1.00 0.00 WT3 H ATOM 37990 OH2 TIP3 1481 -2.223 0.485 3.085 1.00 0.00 WT3 O ATOM 37991 H1 TIP3 1481 -12.864 4.246 -6.177 1.00 0.00 WT3 H ATOM 37992 H2 TIP3 1481 -10.937 0.335 0.383 1.00 0.00 WT3 H ATOM 37993 OH2 TIP3 1482 2.446 4.752 2.140 1.00 0.00 WT3 O ATOM 37994 H1 TIP3 1482 -22.884 16.657 14.980 1.00 0.00 WT3 H ATOM 37995 H2 TIP3 1482 2.338 11.627 4.808 1.00 0.00 WT3 H ATOM 37996 OH2 TIP3 1484 -5.038 -1.426 5.752 1.00 0.00 WT3 O ATOM 37997 H1 TIP3 1484 6.564 3.334 3.508 1.00 0.00 WT3 H ATOM 37998 H2 TIP3 1484 -0.204 0.528 4.893 1.00 0.00 WT3 H ATOM 37999 OH2 TIP3 1486 -3.591 4.765 0.523 1.00 0.00 WT3 O ATOM 38000 H1 TIP3 1486 -6.132 -5.441 5.760 1.00 0.00 WT3 H ATOM 38001 H2 TIP3 1486 -2.644 13.643 -2.843 1.00 0.00 WT3 H ATOM 38002 OH2 TIP3 1487 3.062 -0.166 -3.393 1.00 0.00 WT3 O ATOM 38003 H1 TIP3 1487 -28.296 -14.896 9.394 1.00 0.00 WT3 H ATOM 38004 H2 TIP3 1487 0.006 -4.887 -0.755 1.00 0.00 WT3 H ATOM 38005 OH2 TIP3 1489 6.145 -8.093 -1.941 1.00 0.00 WT3 O ATOM 38006 H1 TIP3 1489 -1.993 -10.823 8.414 1.00 0.00 WT3 H ATOM 38007 H2 TIP3 1489 -4.981 -6.216 24.154 1.00 0.00 WT3 H ATOM 38008 OH2 TIP3 1491 -5.068 3.669 -5.863 1.00 0.00 WT3 O ATOM 38009 H1 TIP3 1491 -0.153 -8.301 -0.976 1.00 0.00 WT3 H ATOM 38010 H2 TIP3 1491 -2.211 4.069 12.994 1.00 0.00 WT3 H ATOM 38011 OH2 TIP3 1493 2.941 -0.634 -1.538 1.00 0.00 WT3 O ATOM 38012 H1 TIP3 1493 3.969 4.045 -4.703 1.00 0.00 WT3 H ATOM 38013 H2 TIP3 1493 -3.355 -12.161 -5.375 1.00 0.00 WT3 H ATOM 38014 OH2 TIP3 1494 -5.494 2.164 -1.423 1.00 0.00 WT3 O ATOM 38015 H1 TIP3 1494 -14.668 11.500 30.522 1.00 0.00 WT3 H ATOM 38016 H2 TIP3 1494 -7.349 -3.238 -7.307 1.00 0.00 WT3 H ATOM 38017 OH2 TIP3 1495 -5.124 -4.079 0.190 1.00 0.00 WT3 O ATOM 38018 H1 TIP3 1495 2.065 2.755 1.411 1.00 0.00 WT3 H ATOM 38019 H2 TIP3 1495 -1.982 -9.359 -9.145 1.00 0.00 WT3 H ATOM 38020 OH2 TIP3 1496 -2.162 2.269 1.881 1.00 0.00 WT3 O ATOM 38021 H1 TIP3 1496 -11.443 17.482 4.088 1.00 0.00 WT3 H ATOM 38022 H2 TIP3 1496 6.971 -3.027 -0.976 1.00 0.00 WT3 H ATOM 38023 OH2 TIP3 1497 3.139 -1.381 4.967 1.00 0.00 WT3 O ATOM 38024 H1 TIP3 1497 8.667 5.811 -9.193 1.00 0.00 WT3 H ATOM 38025 H2 TIP3 1497 5.352 2.574 8.355 1.00 0.00 WT3 H ATOM 38026 OH2 TIP3 1499 -2.544 0.493 2.710 1.00 0.00 WT3 O ATOM 38027 H1 TIP3 1499 3.974 -12.690 21.963 1.00 0.00 WT3 H ATOM 38028 H2 TIP3 1499 -17.914 -15.681 -9.733 1.00 0.00 WT3 H ATOM 38029 OH2 TIP3 1501 1.941 13.349 1.406 1.00 0.00 WT3 O ATOM 38030 H1 TIP3 1501 3.362 15.957 5.957 1.00 0.00 WT3 H ATOM 38031 H2 TIP3 1501 -9.544 -2.600 -3.928 1.00 0.00 WT3 H ATOM 38032 OH2 TIP3 1502 -4.696 -7.623 1.270 1.00 0.00 WT3 O ATOM 38033 H1 TIP3 1502 0.672 5.853 6.276 1.00 0.00 WT3 H ATOM 38034 H2 TIP3 1502 -11.906 -19.297 3.330 1.00 0.00 WT3 H ATOM 38035 OH2 TIP3 1503 -4.447 2.333 2.836 1.00 0.00 WT3 O ATOM 38036 H1 TIP3 1503 -0.375 -10.228 -5.740 1.00 0.00 WT3 H ATOM 38037 H2 TIP3 1503 -0.063 -5.710 6.624 1.00 0.00 WT3 H ATOM 38038 OH2 TIP3 1504 -5.844 3.000 0.714 1.00 0.00 WT3 O ATOM 38039 H1 TIP3 1504 -6.743 -13.617 -10.466 1.00 0.00 WT3 H ATOM 38040 H2 TIP3 1504 14.492 -0.312 6.857 1.00 0.00 WT3 H ATOM 38041 OH2 TIP3 1505 -1.274 -0.794 0.787 1.00 0.00 WT3 O ATOM 38042 H1 TIP3 1505 -21.404 -3.270 11.393 1.00 0.00 WT3 H ATOM 38043 H2 TIP3 1505 13.253 3.729 18.798 1.00 0.00 WT3 H ATOM 38044 OH2 TIP3 1509 1.615 -0.953 0.152 1.00 0.00 WT3 O ATOM 38045 H1 TIP3 1509 -2.630 -16.162 -10.157 1.00 0.00 WT3 H ATOM 38046 H2 TIP3 1509 -3.488 0.153 2.951 1.00 0.00 WT3 H ATOM 38047 OH2 TIP3 1510 3.181 -4.882 2.453 1.00 0.00 WT3 O ATOM 38048 H1 TIP3 1510 -2.384 -11.490 0.889 1.00 0.00 WT3 H ATOM 38049 H2 TIP3 1510 -7.955 -7.553 -2.187 1.00 0.00 WT3 H ATOM 38050 OH2 TIP3 1511 3.214 6.527 -6.903 1.00 0.00 WT3 O ATOM 38051 H1 TIP3 1511 6.233 12.854 -8.763 1.00 0.00 WT3 H ATOM 38052 H2 TIP3 1511 -9.890 17.595 -29.837 1.00 0.00 WT3 H ATOM 38053 OH2 TIP3 1512 -0.842 -5.049 1.701 1.00 0.00 WT3 O ATOM 38054 H1 TIP3 1512 1.775 0.226 -10.161 1.00 0.00 WT3 H ATOM 38055 H2 TIP3 1512 1.590 20.178 1.293 1.00 0.00 WT3 H ATOM 38056 OH2 TIP3 1513 1.178 -1.144 -2.918 1.00 0.00 WT3 O ATOM 38057 H1 TIP3 1513 -13.617 3.337 -6.964 1.00 0.00 WT3 H ATOM 38058 H2 TIP3 1513 6.484 -1.390 -18.130 1.00 0.00 WT3 H ATOM 38059 OH2 TIP3 1515 -11.733 2.298 3.561 1.00 0.00 WT3 O ATOM 38060 H1 TIP3 1515 -10.862 2.107 0.414 1.00 0.00 WT3 H ATOM 38061 H2 TIP3 1515 -11.229 1.821 1.600 1.00 0.00 WT3 H ATOM 38062 OH2 TIP3 1516 3.727 -2.461 4.095 1.00 0.00 WT3 O ATOM 38063 H1 TIP3 1516 -4.598 -3.123 -17.457 1.00 0.00 WT3 H ATOM 38064 H2 TIP3 1516 -18.978 0.770 -21.341 1.00 0.00 WT3 H ATOM 38065 OH2 TIP3 1517 4.028 -2.199 -1.807 1.00 0.00 WT3 O ATOM 38066 H1 TIP3 1517 7.956 2.667 -1.535 1.00 0.00 WT3 H ATOM 38067 H2 TIP3 1517 1.548 25.049 -2.292 1.00 0.00 WT3 H ATOM 38068 OH2 TIP3 1518 -1.407 -0.360 -1.182 1.00 0.00 WT3 O ATOM 38069 H1 TIP3 1518 -20.259 -18.680 -15.974 1.00 0.00 WT3 H ATOM 38070 H2 TIP3 1518 0.823 2.075 1.361 1.00 0.00 WT3 H ATOM 38071 OH2 TIP3 1519 -0.118 2.946 7.357 1.00 0.00 WT3 O ATOM 38072 H1 TIP3 1519 -15.343 -0.961 20.844 1.00 0.00 WT3 H ATOM 38073 H2 TIP3 1519 8.201 -6.416 1.268 1.00 0.00 WT3 H ATOM 38074 OH2 TIP3 1520 -6.244 -4.170 7.343 1.00 0.00 WT3 O ATOM 38075 H1 TIP3 1520 -9.218 -10.084 8.630 1.00 0.00 WT3 H ATOM 38076 H2 TIP3 1520 -9.180 -11.065 9.637 1.00 0.00 WT3 H ATOM 38077 OH2 TIP3 1522 -0.306 0.714 0.212 1.00 0.00 WT3 O ATOM 38078 H1 TIP3 1522 -6.546 -8.208 -4.818 1.00 0.00 WT3 H ATOM 38079 H2 TIP3 1522 14.003 14.917 -0.002 1.00 0.00 WT3 H ATOM 38080 OH2 TIP3 1523 1.718 -0.510 -5.731 1.00 0.00 WT3 O ATOM 38081 H1 TIP3 1523 7.336 -4.008 -13.554 1.00 0.00 WT3 H ATOM 38082 H2 TIP3 1523 15.394 -13.063 -21.951 1.00 0.00 WT3 H ATOM 38083 OH2 TIP3 1524 2.202 -3.738 1.568 1.00 0.00 WT3 O ATOM 38084 H1 TIP3 1524 10.228 -1.438 -7.535 1.00 0.00 WT3 H ATOM 38085 H2 TIP3 1524 -19.523 -7.625 12.933 1.00 0.00 WT3 H ATOM 38086 OH2 TIP3 1525 1.486 0.204 0.675 1.00 0.00 WT3 O ATOM 38087 H1 TIP3 1525 -7.065 9.820 11.251 1.00 0.00 WT3 H ATOM 38088 H2 TIP3 1525 22.124 10.169 -2.395 1.00 0.00 WT3 H ATOM 38089 OH2 TIP3 1529 1.203 -0.266 -2.433 1.00 0.00 WT3 O ATOM 38090 H1 TIP3 1529 9.100 -21.841 4.042 1.00 0.00 WT3 H ATOM 38091 H2 TIP3 1529 -1.474 -2.420 13.413 1.00 0.00 WT3 H ATOM 38092 OH2 TIP3 1530 4.879 1.965 1.477 1.00 0.00 WT3 O ATOM 38093 H1 TIP3 1530 -14.124 16.254 -5.889 1.00 0.00 WT3 H ATOM 38094 H2 TIP3 1530 11.884 2.618 2.635 1.00 0.00 WT3 H ATOM 38095 OH2 TIP3 1532 -4.332 -0.993 -6.067 1.00 0.00 WT3 O ATOM 38096 H1 TIP3 1532 19.274 23.989 -15.203 1.00 0.00 WT3 H ATOM 38097 H2 TIP3 1532 -6.571 18.037 -14.414 1.00 0.00 WT3 H ATOM 38098 OH2 TIP3 1533 0.846 5.269 -7.705 1.00 0.00 WT3 O ATOM 38099 H1 TIP3 1533 2.982 7.543 -11.940 1.00 0.00 WT3 H ATOM 38100 H2 TIP3 1533 2.806 -6.851 -4.793 1.00 0.00 WT3 H ATOM 38101 OH2 TIP3 1541 2.361 2.593 11.769 1.00 0.00 WT3 O ATOM 38102 H1 TIP3 1541 -14.923 -20.983 5.284 1.00 0.00 WT3 H ATOM 38103 H2 TIP3 1541 6.102 11.110 22.555 1.00 0.00 WT3 H ATOM 38104 OH2 TIP3 1542 1.228 0.252 0.649 1.00 0.00 WT3 O ATOM 38105 H1 TIP3 1542 -6.497 14.484 -2.884 1.00 0.00 WT3 H ATOM 38106 H2 TIP3 1542 -4.616 -13.073 -1.612 1.00 0.00 WT3 H ATOM 38107 OH2 TIP3 1547 -0.516 2.021 -1.710 1.00 0.00 WT3 O ATOM 38108 H1 TIP3 1547 5.595 0.195 1.030 1.00 0.00 WT3 H ATOM 38109 H2 TIP3 1547 1.824 7.714 -17.340 1.00 0.00 WT3 H ATOM 38110 OH2 TIP3 1548 1.780 1.062 3.251 1.00 0.00 WT3 O ATOM 38111 H1 TIP3 1548 -3.673 2.752 -27.460 1.00 0.00 WT3 H ATOM 38112 H2 TIP3 1548 11.605 -0.282 13.848 1.00 0.00 WT3 H ATOM 38113 OH2 TIP3 1550 -7.464 0.628 0.790 1.00 0.00 WT3 O ATOM 38114 H1 TIP3 1550 -2.914 -1.448 3.100 1.00 0.00 WT3 H ATOM 38115 H2 TIP3 1550 9.592 -6.674 5.636 1.00 0.00 WT3 H ATOM 38116 OH2 TIP3 1551 -2.684 -1.101 -0.177 1.00 0.00 WT3 O ATOM 38117 H1 TIP3 1551 -13.411 15.688 3.115 1.00 0.00 WT3 H ATOM 38118 H2 TIP3 1551 -0.056 -0.904 -11.221 1.00 0.00 WT3 H ATOM 38119 OH2 TIP3 1558 5.271 5.223 4.018 1.00 0.00 WT3 O ATOM 38120 H1 TIP3 1558 -2.757 12.326 22.820 1.00 0.00 WT3 H ATOM 38121 H2 TIP3 1558 5.050 5.454 4.024 1.00 0.00 WT3 H ATOM 38122 OH2 TIP3 1559 1.908 0.867 7.624 1.00 0.00 WT3 O ATOM 38123 H1 TIP3 1559 4.219 -7.620 4.834 1.00 0.00 WT3 H ATOM 38124 H2 TIP3 1559 -4.339 6.083 -2.926 1.00 0.00 WT3 H ATOM 38125 OH2 TIP3 1587 -1.917 0.880 3.205 1.00 0.00 WT3 O ATOM 38126 H1 TIP3 1587 -13.464 3.100 14.580 1.00 0.00 WT3 H ATOM 38127 H2 TIP3 1587 0.542 0.634 -3.128 1.00 0.00 WT3 H ATOM 38128 OH2 TIP3 1592 -4.437 1.634 -7.941 1.00 0.00 WT3 O ATOM 38129 H1 TIP3 1592 -3.765 8.477 5.807 1.00 0.00 WT3 H ATOM 38130 H2 TIP3 1592 -4.236 -3.632 -8.944 1.00 0.00 WT3 H ATOM 38131 OH2 TIP3 1593 -3.427 5.976 2.238 1.00 0.00 WT3 O ATOM 38132 H1 TIP3 1593 -8.939 -4.118 -13.245 1.00 0.00 WT3 H ATOM 38133 H2 TIP3 1593 31.157 9.927 -4.838 1.00 0.00 WT3 H ATOM 38134 OH2 TIP3 1609 -4.948 4.553 -0.918 1.00 0.00 WT3 O ATOM 38135 H1 TIP3 1609 -6.783 24.072 -3.252 1.00 0.00 WT3 H ATOM 38136 H2 TIP3 1609 -19.617 30.864 -0.044 1.00 0.00 WT3 H ATOM 38137 OH2 TIP3 1611 -1.278 -3.253 -0.562 1.00 0.00 WT3 O ATOM 38138 H1 TIP3 1611 -16.148 -1.137 -11.980 1.00 0.00 WT3 H ATOM 38139 H2 TIP3 1611 -0.495 19.651 -12.992 1.00 0.00 WT3 H ATOM 38140 OH2 TIP3 1618 -7.032 2.323 -3.526 1.00 0.00 WT3 O ATOM 38141 H1 TIP3 1618 -10.372 -2.121 -3.486 1.00 0.00 WT3 H ATOM 38142 H2 TIP3 1618 -2.243 -3.206 5.923 1.00 0.00 WT3 H ATOM 38143 OH2 TIP3 1621 -0.578 -7.041 -5.506 1.00 0.00 WT3 O ATOM 38144 H1 TIP3 1621 -8.803 7.810 -0.422 1.00 0.00 WT3 H ATOM 38145 H2 TIP3 1621 -9.193 16.597 13.623 1.00 0.00 WT3 H ATOM 38146 OH2 TIP3 1630 -2.194 6.571 -2.135 1.00 0.00 WT3 O ATOM 38147 H1 TIP3 1630 -9.767 2.238 -15.749 1.00 0.00 WT3 H ATOM 38148 H2 TIP3 1630 2.000 -5.654 4.350 1.00 0.00 WT3 H ATOM 38149 OH2 TIP3 1650 2.924 2.427 -0.065 1.00 0.00 WT3 O ATOM 38150 H1 TIP3 1650 -24.564 -15.230 -2.935 1.00 0.00 WT3 H ATOM 38151 H2 TIP3 1650 21.512 -25.116 12.049 1.00 0.00 WT3 H ATOM 38152 OH2 TIP3 1670 10.004 -3.194 -5.248 1.00 0.00 WT3 O ATOM 38153 H1 TIP3 1670 -2.670 -3.021 5.596 1.00 0.00 WT3 H ATOM 38154 H2 TIP3 1670 -11.674 1.254 -19.578 1.00 0.00 WT3 H ATOM 38155 OH2 TIP3 1692 -1.960 2.544 0.914 1.00 0.00 WT3 O ATOM 38156 H1 TIP3 1692 4.281 -12.310 13.506 1.00 0.00 WT3 H ATOM 38157 H2 TIP3 1692 -4.663 8.942 -3.193 1.00 0.00 WT3 H ATOM 38158 OH2 TIP3 1707 -9.099 -6.408 -0.881 1.00 0.00 WT3 O ATOM 38159 H1 TIP3 1707 4.604 -5.394 -13.018 1.00 0.00 WT3 H ATOM 38160 H2 TIP3 1707 0.690 -19.084 21.210 1.00 0.00 WT3 H ATOM 38161 OH2 TIP3 1711 -0.196 3.494 -2.830 1.00 0.00 WT3 O ATOM 38162 H1 TIP3 1711 -1.235 9.361 -12.042 1.00 0.00 WT3 H ATOM 38163 H2 TIP3 1711 3.248 8.133 -12.014 1.00 0.00 WT3 H ATOM 38164 OH2 TIP3 1712 6.756 -2.783 -4.225 1.00 0.00 WT3 O ATOM 38165 H1 TIP3 1712 9.145 -10.063 30.506 1.00 0.00 WT3 H ATOM 38166 H2 TIP3 1712 7.462 8.357 1.886 1.00 0.00 WT3 H ATOM 38167 OH2 TIP3 1714 0.375 -1.992 -2.028 1.00 0.00 WT3 O ATOM 38168 H1 TIP3 1714 -6.523 9.608 1.623 1.00 0.00 WT3 H ATOM 38169 H2 TIP3 1714 5.828 -10.425 0.754 1.00 0.00 WT3 H ATOM 38170 OH2 TIP3 1715 -3.911 1.119 -7.387 1.00 0.00 WT3 O ATOM 38171 H1 TIP3 1715 6.287 6.415 -15.507 1.00 0.00 WT3 H ATOM 38172 H2 TIP3 1715 5.594 5.745 -14.798 1.00 0.00 WT3 H ATOM 38173 OH2 TIP3 1718 5.403 4.324 -3.587 1.00 0.00 WT3 O ATOM 38174 H1 TIP3 1718 10.572 -5.544 1.544 1.00 0.00 WT3 H ATOM 38175 H2 TIP3 1718 12.160 -6.214 0.121 1.00 0.00 WT3 H ATOM 38176 OH2 TIP3 1722 -6.014 2.501 3.084 1.00 0.00 WT3 O ATOM 38177 H1 TIP3 1722 -0.569 2.596 -2.906 1.00 0.00 WT3 H ATOM 38178 H2 TIP3 1722 3.316 2.396 -2.603 1.00 0.00 WT3 H ATOM 38179 OH2 TIP3 1723 -6.685 -4.518 3.267 1.00 0.00 WT3 O ATOM 38180 H1 TIP3 1723 -19.389 1.903 11.350 1.00 0.00 WT3 H ATOM 38181 H2 TIP3 1723 4.469 -4.620 14.470 1.00 0.00 WT3 H ATOM 38182 OH2 TIP3 1725 0.712 2.003 0.566 1.00 0.00 WT3 O ATOM 38183 H1 TIP3 1725 -0.486 0.770 -1.249 1.00 0.00 WT3 H ATOM 38184 H2 TIP3 1725 1.387 0.876 3.897 1.00 0.00 WT3 H ATOM 38185 OH2 TIP3 1727 -5.164 -1.067 5.888 1.00 0.00 WT3 O ATOM 38186 H1 TIP3 1727 -8.678 1.898 14.014 1.00 0.00 WT3 H ATOM 38187 H2 TIP3 1727 -10.906 4.828 0.754 1.00 0.00 WT3 H ATOM 38188 OH2 TIP3 1729 3.171 9.331 -6.746 1.00 0.00 WT3 O ATOM 38189 H1 TIP3 1729 7.042 0.655 -18.406 1.00 0.00 WT3 H ATOM 38190 H2 TIP3 1729 6.307 7.327 -4.746 1.00 0.00 WT3 H ATOM 38191 OH2 TIP3 1730 -0.930 0.480 -1.781 1.00 0.00 WT3 O ATOM 38192 H1 TIP3 1730 -0.181 10.592 -6.922 1.00 0.00 WT3 H ATOM 38193 H2 TIP3 1730 -2.840 -6.015 1.519 1.00 0.00 WT3 H ATOM 38194 OH2 TIP3 1733 0.698 6.677 -3.256 1.00 0.00 WT3 O ATOM 38195 H1 TIP3 1733 -1.407 9.869 -4.320 1.00 0.00 WT3 H ATOM 38196 H2 TIP3 1733 0.554 8.855 -5.281 1.00 0.00 WT3 H ATOM 38197 OH2 TIP3 1736 1.642 -1.280 0.740 1.00 0.00 WT3 O ATOM 38198 H1 TIP3 1736 -24.524 -16.228 -10.110 1.00 0.00 WT3 H ATOM 38199 H2 TIP3 1736 16.619 25.784 9.892 1.00 0.00 WT3 H ATOM 38200 OH2 TIP3 1741 0.168 2.956 -1.423 1.00 0.00 WT3 O ATOM 38201 H1 TIP3 1741 2.361 8.403 11.738 1.00 0.00 WT3 H ATOM 38202 H2 TIP3 1741 -22.599 26.767 -0.435 1.00 0.00 WT3 H ATOM 38203 OH2 TIP3 1744 -2.671 -3.877 0.222 1.00 0.00 WT3 O ATOM 38204 H1 TIP3 1744 -3.337 -4.506 1.039 1.00 0.00 WT3 H ATOM 38205 H2 TIP3 1744 -28.540 -0.727 -11.988 1.00 0.00 WT3 H ATOM 38206 OH2 TIP3 1746 5.092 0.367 2.410 1.00 0.00 WT3 O ATOM 38207 H1 TIP3 1746 2.387 1.467 1.669 1.00 0.00 WT3 H ATOM 38208 H2 TIP3 1746 -4.986 5.159 0.161 1.00 0.00 WT3 H ATOM 38209 OH2 TIP3 1748 1.947 1.560 -2.387 1.00 0.00 WT3 O ATOM 38210 H1 TIP3 1748 4.155 -11.593 -2.817 1.00 0.00 WT3 H ATOM 38211 H2 TIP3 1748 6.220 -40.004 -3.382 1.00 0.00 WT3 H ATOM 38212 OH2 TIP3 1750 6.014 1.410 -5.778 1.00 0.00 WT3 O ATOM 38213 H1 TIP3 1750 -13.280 -3.417 -39.591 1.00 0.00 WT3 H ATOM 38214 H2 TIP3 1750 3.183 -2.356 -9.926 1.00 0.00 WT3 H ATOM 38215 OH2 TIP3 1752 6.819 1.803 2.656 1.00 0.00 WT3 O ATOM 38216 H1 TIP3 1752 8.799 -1.136 1.312 1.00 0.00 WT3 H ATOM 38217 H2 TIP3 1752 -20.334 28.775 0.011 1.00 0.00 WT3 H ATOM 38218 OH2 TIP3 1755 -1.095 -3.717 1.097 1.00 0.00 WT3 O ATOM 38219 H1 TIP3 1755 1.097 -2.481 1.015 1.00 0.00 WT3 H ATOM 38220 H2 TIP3 1755 -6.266 -0.820 -0.074 1.00 0.00 WT3 H ATOM 38221 OH2 TIP3 1756 3.849 -6.911 11.060 1.00 0.00 WT3 O ATOM 38222 H1 TIP3 1756 12.900 -25.177 2.871 1.00 0.00 WT3 H ATOM 38223 H2 TIP3 1756 11.774 -25.510 6.366 1.00 0.00 WT3 H ATOM 38224 OH2 TIP3 1757 -0.735 4.901 -0.388 1.00 0.00 WT3 O ATOM 38225 H1 TIP3 1757 21.468 -13.587 2.800 1.00 0.00 WT3 H ATOM 38226 H2 TIP3 1757 22.074 15.296 6.073 1.00 0.00 WT3 H ATOM 38227 OH2 TIP3 1764 -0.456 0.763 5.286 1.00 0.00 WT3 O ATOM 38228 H1 TIP3 1764 -5.774 24.125 19.526 1.00 0.00 WT3 H ATOM 38229 H2 TIP3 1764 -12.219 8.180 -1.593 1.00 0.00 WT3 H ATOM 38230 OH2 TIP3 1766 -0.373 3.378 5.553 1.00 0.00 WT3 O ATOM 38231 H1 TIP3 1766 -5.301 6.520 3.095 1.00 0.00 WT3 H ATOM 38232 H2 TIP3 1766 -10.896 10.598 -7.725 1.00 0.00 WT3 H ATOM 38233 OH2 TIP3 1768 -0.678 -2.580 -4.053 1.00 0.00 WT3 O ATOM 38234 H1 TIP3 1768 -2.466 8.536 16.823 1.00 0.00 WT3 H ATOM 38235 H2 TIP3 1768 2.351 -6.509 -4.219 1.00 0.00 WT3 H ATOM 38236 OH2 TIP3 1771 -1.916 -0.372 -4.200 1.00 0.00 WT3 O ATOM 38237 H1 TIP3 1771 7.058 -1.893 7.740 1.00 0.00 WT3 H ATOM 38238 H2 TIP3 1771 11.528 8.064 -7.500 1.00 0.00 WT3 H ATOM 38239 OH2 TIP3 1772 5.110 -1.057 3.275 1.00 0.00 WT3 O ATOM 38240 H1 TIP3 1772 4.905 1.636 -9.648 1.00 0.00 WT3 H ATOM 38241 H2 TIP3 1772 4.643 -1.860 10.002 1.00 0.00 WT3 H ATOM 38242 OH2 TIP3 1773 -1.550 1.620 -4.548 1.00 0.00 WT3 O ATOM 38243 H1 TIP3 1773 0.509 17.056 -11.451 1.00 0.00 WT3 H ATOM 38244 H2 TIP3 1773 18.329 3.531 11.072 1.00 0.00 WT3 H ATOM 38245 OH2 TIP3 1775 -5.128 0.949 0.428 1.00 0.00 WT3 O ATOM 38246 H1 TIP3 1775 -2.563 -0.952 -7.401 1.00 0.00 WT3 H ATOM 38247 H2 TIP3 1775 -17.399 -6.457 9.315 1.00 0.00 WT3 H ATOM 38248 OH2 TIP3 1776 4.431 -0.285 3.458 1.00 0.00 WT3 O ATOM 38249 H1 TIP3 1776 20.669 14.610 -13.302 1.00 0.00 WT3 H ATOM 38250 H2 TIP3 1776 13.657 23.425 -8.868 1.00 0.00 WT3 H ATOM 38251 OH2 TIP3 1778 -2.279 -2.982 4.335 1.00 0.00 WT3 O ATOM 38252 H1 TIP3 1778 -41.047 -3.215 -31.870 1.00 0.00 WT3 H ATOM 38253 H2 TIP3 1778 -9.148 -8.432 12.610 1.00 0.00 WT3 H ATOM 38254 OH2 TIP3 1779 1.269 -1.362 -4.362 1.00 0.00 WT3 O ATOM 38255 H1 TIP3 1779 6.919 0.689 -2.106 1.00 0.00 WT3 H ATOM 38256 H2 TIP3 1779 5.627 0.222 -2.428 1.00 0.00 WT3 H ATOM 38257 OH2 TIP3 1782 -3.521 -1.700 -1.957 1.00 0.00 WT3 O ATOM 38258 H1 TIP3 1782 1.946 4.023 -0.568 1.00 0.00 WT3 H ATOM 38259 H2 TIP3 1782 -4.101 -1.303 -8.989 1.00 0.00 WT3 H ATOM 38260 OH2 TIP3 1786 -0.017 1.311 -3.398 1.00 0.00 WT3 O ATOM 38261 H1 TIP3 1786 -15.052 24.192 -9.008 1.00 0.00 WT3 H ATOM 38262 H2 TIP3 1786 2.807 -16.013 10.486 1.00 0.00 WT3 H ATOM 38263 OH2 TIP3 1788 1.138 2.176 -0.512 1.00 0.00 WT3 O ATOM 38264 H1 TIP3 1788 -7.643 -0.684 -13.591 1.00 0.00 WT3 H ATOM 38265 H2 TIP3 1788 -8.978 7.095 -3.789 1.00 0.00 WT3 H ATOM 38266 OH2 TIP3 1789 0.978 0.096 -0.398 1.00 0.00 WT3 O ATOM 38267 H1 TIP3 1789 -23.146 33.971 20.376 1.00 0.00 WT3 H ATOM 38268 H2 TIP3 1789 26.235 8.167 20.425 1.00 0.00 WT3 H ATOM 38269 OH2 TIP3 1790 0.584 0.602 0.942 1.00 0.00 WT3 O ATOM 38270 H1 TIP3 1790 8.813 0.997 28.105 1.00 0.00 WT3 H ATOM 38271 H2 TIP3 1790 13.701 -17.069 -3.234 1.00 0.00 WT3 H ATOM 38272 OH2 TIP3 1794 7.134 -0.347 -0.302 1.00 0.00 WT3 O ATOM 38273 H1 TIP3 1794 14.130 6.805 -2.291 1.00 0.00 WT3 H ATOM 38274 H2 TIP3 1794 9.308 1.209 5.326 1.00 0.00 WT3 H ATOM 38275 OH2 TIP3 1795 -5.094 -8.914 5.846 1.00 0.00 WT3 O ATOM 38276 H1 TIP3 1795 4.021 -11.316 16.149 1.00 0.00 WT3 H ATOM 38277 H2 TIP3 1795 -5.982 -18.569 0.524 1.00 0.00 WT3 H ATOM 38278 OH2 TIP3 1796 -2.146 1.926 -0.369 1.00 0.00 WT3 O ATOM 38279 H1 TIP3 1796 10.136 -14.598 34.305 1.00 0.00 WT3 H ATOM 38280 H2 TIP3 1796 17.059 17.129 -35.138 1.00 0.00 WT3 H ATOM 38281 OH2 TIP3 1798 5.523 0.478 -2.838 1.00 0.00 WT3 O ATOM 38282 H1 TIP3 1798 7.225 -3.325 -10.091 1.00 0.00 WT3 H ATOM 38283 H2 TIP3 1798 17.122 -0.903 11.694 1.00 0.00 WT3 H ATOM 38284 OH2 TIP3 1800 4.651 3.264 -0.842 1.00 0.00 WT3 O ATOM 38285 H1 TIP3 1800 3.298 -1.056 1.285 1.00 0.00 WT3 H ATOM 38286 H2 TIP3 1800 16.680 -8.814 -4.260 1.00 0.00 WT3 H ATOM 38287 OH2 TIP3 1804 -0.398 -4.575 -4.912 1.00 0.00 WT3 O ATOM 38288 H1 TIP3 1804 -5.321 -4.837 -7.334 1.00 0.00 WT3 H ATOM 38289 H2 TIP3 1804 4.740 -5.805 -1.385 1.00 0.00 WT3 H ATOM 38290 OH2 TIP3 1805 -3.487 4.412 1.573 1.00 0.00 WT3 O ATOM 38291 H1 TIP3 1805 -15.007 -5.460 -10.761 1.00 0.00 WT3 H ATOM 38292 H2 TIP3 1805 5.772 -23.351 12.020 1.00 0.00 WT3 H ATOM 38293 OH2 TIP3 1808 -0.622 -0.570 -1.775 1.00 0.00 WT3 O ATOM 38294 H1 TIP3 1808 -6.003 1.876 -14.439 1.00 0.00 WT3 H ATOM 38295 H2 TIP3 1808 -3.495 2.291 -6.850 1.00 0.00 WT3 H ATOM 38296 OH2 TIP3 1810 5.705 -0.557 2.676 1.00 0.00 WT3 O ATOM 38297 H1 TIP3 1810 1.903 14.165 19.764 1.00 0.00 WT3 H ATOM 38298 H2 TIP3 1810 -7.604 8.062 -14.848 1.00 0.00 WT3 H ATOM 38299 OH2 TIP3 1811 1.358 -7.015 3.392 1.00 0.00 WT3 O ATOM 38300 H1 TIP3 1811 -1.829 -1.157 -1.415 1.00 0.00 WT3 H ATOM 38301 H2 TIP3 1811 -6.653 1.211 -3.926 1.00 0.00 WT3 H ATOM 38302 OH2 TIP3 1812 -0.153 -2.513 0.438 1.00 0.00 WT3 O ATOM 38303 H1 TIP3 1812 1.447 0.474 -32.917 1.00 0.00 WT3 H ATOM 38304 H2 TIP3 1812 1.494 17.324 -5.616 1.00 0.00 WT3 H ATOM 38305 OH2 TIP3 1813 5.260 1.517 -4.982 1.00 0.00 WT3 O ATOM 38306 H1 TIP3 1813 -18.863 2.808 8.613 1.00 0.00 WT3 H ATOM 38307 H2 TIP3 1813 9.808 6.355 -26.827 1.00 0.00 WT3 H ATOM 38308 OH2 TIP3 1814 -0.146 3.718 2.652 1.00 0.00 WT3 O ATOM 38309 H1 TIP3 1814 2.877 1.147 -2.381 1.00 0.00 WT3 H ATOM 38310 H2 TIP3 1814 -18.779 4.760 9.786 1.00 0.00 WT3 H ATOM 38311 OH2 TIP3 1815 -5.346 -3.583 1.005 1.00 0.00 WT3 O ATOM 38312 H1 TIP3 1815 -4.083 2.690 -2.943 1.00 0.00 WT3 H ATOM 38313 H2 TIP3 1815 -1.041 -6.628 -3.468 1.00 0.00 WT3 H ATOM 38314 OH2 TIP3 1816 -1.651 6.652 -4.237 1.00 0.00 WT3 O ATOM 38315 H1 TIP3 1816 16.887 13.632 5.621 1.00 0.00 WT3 H ATOM 38316 H2 TIP3 1816 3.376 3.062 -24.791 1.00 0.00 WT3 H ATOM 38317 OH2 TIP3 1817 -0.961 -4.157 -2.168 1.00 0.00 WT3 O ATOM 38318 H1 TIP3 1817 -10.621 12.529 2.157 1.00 0.00 WT3 H ATOM 38319 H2 TIP3 1817 13.525 7.797 -1.505 1.00 0.00 WT3 H ATOM 38320 OH2 TIP3 1818 -5.719 -2.527 5.632 1.00 0.00 WT3 O ATOM 38321 H1 TIP3 1818 -7.321 15.700 0.448 1.00 0.00 WT3 H ATOM 38322 H2 TIP3 1818 2.692 0.557 -1.372 1.00 0.00 WT3 H ATOM 38323 OH2 TIP3 1819 4.257 -4.063 -2.485 1.00 0.00 WT3 O ATOM 38324 H1 TIP3 1819 -0.573 2.827 -18.453 1.00 0.00 WT3 H ATOM 38325 H2 TIP3 1819 -1.758 -11.776 12.525 1.00 0.00 WT3 H ATOM 38326 OH2 TIP3 1820 -4.057 4.016 5.469 1.00 0.00 WT3 O ATOM 38327 H1 TIP3 1820 8.945 13.777 13.663 1.00 0.00 WT3 H ATOM 38328 H2 TIP3 1820 13.778 -16.114 20.460 1.00 0.00 WT3 H ATOM 38329 OH2 TIP3 1821 -4.647 -1.232 -1.111 1.00 0.00 WT3 O ATOM 38330 H1 TIP3 1821 -4.278 5.479 -16.529 1.00 0.00 WT3 H ATOM 38331 H2 TIP3 1821 -3.664 -14.119 6.682 1.00 0.00 WT3 H ATOM 38332 OH2 TIP3 1824 -1.187 -8.138 1.329 1.00 0.00 WT3 O ATOM 38333 H1 TIP3 1824 19.060 18.034 -11.385 1.00 0.00 WT3 H ATOM 38334 H2 TIP3 1824 9.808 -2.334 2.567 1.00 0.00 WT3 H ATOM 38335 OH2 TIP3 1825 0.366 4.082 -2.018 1.00 0.00 WT3 O ATOM 38336 H1 TIP3 1825 1.286 -3.750 -15.287 1.00 0.00 WT3 H ATOM 38337 H2 TIP3 1825 -1.713 1.384 4.614 1.00 0.00 WT3 H ATOM 38338 OH2 TIP3 1828 0.928 5.690 -1.469 1.00 0.00 WT3 O ATOM 38339 H1 TIP3 1828 -14.228 5.422 1.194 1.00 0.00 WT3 H ATOM 38340 H2 TIP3 1828 24.740 0.386 -1.547 1.00 0.00 WT3 H ATOM 38341 OH2 TIP3 1829 -3.051 -0.059 -1.588 1.00 0.00 WT3 O ATOM 38342 H1 TIP3 1829 -11.504 11.531 5.267 1.00 0.00 WT3 H ATOM 38343 H2 TIP3 1829 4.396 -12.929 -6.899 1.00 0.00 WT3 H ATOM 38344 OH2 TIP3 1830 1.405 -2.197 1.440 1.00 0.00 WT3 O ATOM 38345 H1 TIP3 1830 9.217 12.464 17.371 1.00 0.00 WT3 H ATOM 38346 H2 TIP3 1830 -4.048 -21.071 5.331 1.00 0.00 WT3 H ATOM 38347 OH2 TIP3 1831 -0.305 3.910 -1.603 1.00 0.00 WT3 O ATOM 38348 H1 TIP3 1831 2.057 -8.625 1.587 1.00 0.00 WT3 H ATOM 38349 H2 TIP3 1831 -2.367 -4.767 -3.362 1.00 0.00 WT3 H ATOM 38350 OH2 TIP3 1832 0.310 -5.298 -5.537 1.00 0.00 WT3 O ATOM 38351 H1 TIP3 1832 -2.832 -2.557 0.448 1.00 0.00 WT3 H ATOM 38352 H2 TIP3 1832 -2.500 -13.160 -5.263 1.00 0.00 WT3 H ATOM 38353 OH2 TIP3 1833 -1.289 -1.989 -2.779 1.00 0.00 WT3 O ATOM 38354 H1 TIP3 1833 -26.803 -11.131 5.445 1.00 0.00 WT3 H ATOM 38355 H2 TIP3 1833 0.597 8.443 -11.989 1.00 0.00 WT3 H ATOM 38356 OH2 TIP3 1835 -4.080 6.343 5.382 1.00 0.00 WT3 O ATOM 38357 H1 TIP3 1835 1.849 2.146 -4.787 1.00 0.00 WT3 H ATOM 38358 H2 TIP3 1835 -7.786 7.616 7.121 1.00 0.00 WT3 H ATOM 38359 OH2 TIP3 1836 1.492 1.658 -2.586 1.00 0.00 WT3 O ATOM 38360 H1 TIP3 1836 5.110 -1.335 4.411 1.00 0.00 WT3 H ATOM 38361 H2 TIP3 1836 -4.881 -9.303 -25.617 1.00 0.00 WT3 H ATOM 38362 OH2 TIP3 1837 5.499 2.784 4.297 1.00 0.00 WT3 O ATOM 38363 H1 TIP3 1837 15.570 -9.080 19.354 1.00 0.00 WT3 H ATOM 38364 H2 TIP3 1837 -17.990 -12.055 -17.902 1.00 0.00 WT3 H ATOM 38365 OH2 TIP3 1838 0.664 1.941 -1.005 1.00 0.00 WT3 O ATOM 38366 H1 TIP3 1838 -7.197 -10.129 -4.479 1.00 0.00 WT3 H ATOM 38367 H2 TIP3 1838 10.109 8.805 -1.526 1.00 0.00 WT3 H ATOM 38368 OH2 TIP3 1839 -1.746 -5.303 -6.392 1.00 0.00 WT3 O ATOM 38369 H1 TIP3 1839 2.348 3.521 3.652 1.00 0.00 WT3 H ATOM 38370 H2 TIP3 1839 0.525 0.107 11.096 1.00 0.00 WT3 H ATOM 38371 OH2 TIP3 1840 -0.858 0.945 0.126 1.00 0.00 WT3 O ATOM 38372 H1 TIP3 1840 19.182 28.079 -22.057 1.00 0.00 WT3 H ATOM 38373 H2 TIP3 1840 -38.077 11.927 1.600 1.00 0.00 WT3 H ATOM 38374 OH2 TIP3 1841 0.618 -4.216 4.725 1.00 0.00 WT3 O ATOM 38375 H1 TIP3 1841 -4.943 2.387 5.881 1.00 0.00 WT3 H ATOM 38376 H2 TIP3 1841 4.007 -2.725 -3.098 1.00 0.00 WT3 H ATOM 38377 OH2 TIP3 1842 -3.099 -2.160 -5.282 1.00 0.00 WT3 O ATOM 38378 H1 TIP3 1842 -13.693 -8.337 -9.890 1.00 0.00 WT3 H ATOM 38379 H2 TIP3 1842 2.896 10.174 -6.520 1.00 0.00 WT3 H ATOM 38380 OH2 TIP3 1843 0.151 -2.760 -2.817 1.00 0.00 WT3 O ATOM 38381 H1 TIP3 1843 6.660 9.874 -4.086 1.00 0.00 WT3 H ATOM 38382 H2 TIP3 1843 -1.735 4.931 9.837 1.00 0.00 WT3 H ATOM 38383 OH2 TIP3 1844 -0.242 3.133 1.177 1.00 0.00 WT3 O ATOM 38384 H1 TIP3 1844 20.777 1.500 -2.136 1.00 0.00 WT3 H ATOM 38385 H2 TIP3 1844 -8.441 16.059 -12.976 1.00 0.00 WT3 H ATOM 38386 OH2 TIP3 1845 -5.977 2.998 -2.592 1.00 0.00 WT3 O ATOM 38387 H1 TIP3 1845 -30.303 -14.134 13.152 1.00 0.00 WT3 H ATOM 38388 H2 TIP3 1845 6.321 17.812 25.915 1.00 0.00 WT3 H ATOM 38389 OH2 TIP3 1846 -0.828 3.994 -1.132 1.00 0.00 WT3 O ATOM 38390 H1 TIP3 1846 -0.696 13.821 -0.425 1.00 0.00 WT3 H ATOM 38391 H2 TIP3 1846 -0.731 6.720 -0.424 1.00 0.00 WT3 H ATOM 38392 OH2 TIP3 1847 1.670 0.182 1.496 1.00 0.00 WT3 O ATOM 38393 H1 TIP3 1847 4.831 5.281 2.085 1.00 0.00 WT3 H ATOM 38394 H2 TIP3 1847 8.073 7.410 -1.819 1.00 0.00 WT3 H ATOM 38395 OH2 TIP3 1848 -0.138 -0.274 -3.528 1.00 0.00 WT3 O ATOM 38396 H1 TIP3 1848 17.161 2.737 -2.602 1.00 0.00 WT3 H ATOM 38397 H2 TIP3 1848 -12.236 4.500 19.677 1.00 0.00 WT3 H ATOM 38398 OH2 TIP3 1850 7.724 -2.685 3.241 1.00 0.00 WT3 O ATOM 38399 H1 TIP3 1850 -4.114 -1.816 6.955 1.00 0.00 WT3 H ATOM 38400 H2 TIP3 1850 -0.607 10.006 9.125 1.00 0.00 WT3 H ATOM 38401 OH2 TIP3 1851 0.852 1.530 1.780 1.00 0.00 WT3 O ATOM 38402 H1 TIP3 1851 -0.334 0.864 0.197 1.00 0.00 WT3 H ATOM 38403 H2 TIP3 1851 13.827 -6.475 12.404 1.00 0.00 WT3 H ATOM 38404 OH2 TIP3 1852 2.552 -3.285 8.344 1.00 0.00 WT3 O ATOM 38405 H1 TIP3 1852 7.492 5.499 4.657 1.00 0.00 WT3 H ATOM 38406 H2 TIP3 1852 -1.585 1.647 14.398 1.00 0.00 WT3 H ATOM 38407 OH2 TIP3 1853 -5.356 -2.909 -1.757 1.00 0.00 WT3 O ATOM 38408 H1 TIP3 1853 0.714 6.954 12.947 1.00 0.00 WT3 H ATOM 38409 H2 TIP3 1853 -19.499 27.798 -3.831 1.00 0.00 WT3 H ATOM 38410 OH2 TIP3 1854 0.182 -6.794 -1.619 1.00 0.00 WT3 O ATOM 38411 H1 TIP3 1854 -12.977 -11.594 -12.241 1.00 0.00 WT3 H ATOM 38412 H2 TIP3 1854 32.432 -1.402 16.243 1.00 0.00 WT3 H ATOM 38413 OH2 TIP3 1856 0.743 3.030 -0.324 1.00 0.00 WT3 O ATOM 38414 H1 TIP3 1856 0.366 -30.544 2.901 1.00 0.00 WT3 H ATOM 38415 H2 TIP3 1856 2.004 -9.082 -9.442 1.00 0.00 WT3 H ATOM 38416 OH2 TIP3 1857 -0.926 -2.437 -4.829 1.00 0.00 WT3 O ATOM 38417 H1 TIP3 1857 5.189 12.449 -0.781 1.00 0.00 WT3 H ATOM 38418 H2 TIP3 1857 -1.707 -8.956 -2.987 1.00 0.00 WT3 H ATOM 38419 OH2 TIP3 1858 -3.450 5.568 3.480 1.00 0.00 WT3 O ATOM 38420 H1 TIP3 1858 1.016 0.226 7.690 1.00 0.00 WT3 H ATOM 38421 H2 TIP3 1858 -20.054 6.950 4.024 1.00 0.00 WT3 H ATOM 38422 OH2 TIP3 1859 -2.716 0.321 5.881 1.00 0.00 WT3 O ATOM 38423 H1 TIP3 1859 -27.214 -13.744 4.692 1.00 0.00 WT3 H ATOM 38424 H2 TIP3 1859 17.031 8.056 9.141 1.00 0.00 WT3 H ATOM 38425 OH2 TIP3 1860 1.767 -4.485 -4.689 1.00 0.00 WT3 O ATOM 38426 H1 TIP3 1860 0.718 -25.669 -9.506 1.00 0.00 WT3 H ATOM 38427 H2 TIP3 1860 13.163 -9.519 4.898 1.00 0.00 WT3 H ATOM 38428 OH2 TIP3 1861 3.389 2.439 3.154 1.00 0.00 WT3 O ATOM 38429 H1 TIP3 1861 22.495 20.873 8.421 1.00 0.00 WT3 H ATOM 38430 H2 TIP3 1861 -12.652 -3.581 -8.675 1.00 0.00 WT3 H ATOM 38431 OH2 TIP3 1863 4.598 2.043 2.866 1.00 0.00 WT3 O ATOM 38432 H1 TIP3 1863 10.058 17.053 11.664 1.00 0.00 WT3 H ATOM 38433 H2 TIP3 1863 15.814 -2.355 -1.720 1.00 0.00 WT3 H ATOM 38434 OH2 TIP3 1864 2.834 1.597 1.084 1.00 0.00 WT3 O ATOM 38435 H1 TIP3 1864 -13.399 0.244 -20.269 1.00 0.00 WT3 H ATOM 38436 H2 TIP3 1864 25.469 13.279 26.457 1.00 0.00 WT3 H ATOM 38437 OH2 TIP3 1866 -3.645 -1.912 6.817 1.00 0.00 WT3 O ATOM 38438 H1 TIP3 1866 3.162 -2.598 -9.455 1.00 0.00 WT3 H ATOM 38439 H2 TIP3 1866 8.692 -4.102 -17.514 1.00 0.00 WT3 H ATOM 38440 OH2 TIP3 1869 3.231 -0.909 -3.784 1.00 0.00 WT3 O ATOM 38441 H1 TIP3 1869 -3.036 -0.819 -7.754 1.00 0.00 WT3 H ATOM 38442 H2 TIP3 1869 6.267 0.098 -10.830 1.00 0.00 WT3 H ATOM 38443 OH2 TIP3 1870 -2.602 1.928 -5.079 1.00 0.00 WT3 O ATOM 38444 H1 TIP3 1870 -7.835 -15.852 12.335 1.00 0.00 WT3 H ATOM 38445 H2 TIP3 1870 -3.468 15.100 3.085 1.00 0.00 WT3 H ATOM 38446 OH2 TIP3 1871 0.595 -1.518 3.016 1.00 0.00 WT3 O ATOM 38447 H1 TIP3 1871 0.202 -5.210 -7.151 1.00 0.00 WT3 H ATOM 38448 H2 TIP3 1871 -10.048 0.814 4.419 1.00 0.00 WT3 H ATOM 38449 OH2 TIP3 1872 5.407 3.317 -1.906 1.00 0.00 WT3 O ATOM 38450 H1 TIP3 1872 18.791 11.639 -0.157 1.00 0.00 WT3 H ATOM 38451 H2 TIP3 1872 11.694 11.996 0.994 1.00 0.00 WT3 H ATOM 38452 OH2 TIP3 1873 1.840 -3.355 -0.735 1.00 0.00 WT3 O ATOM 38453 H1 TIP3 1873 4.935 -10.337 2.937 1.00 0.00 WT3 H ATOM 38454 H2 TIP3 1873 1.490 -10.713 3.996 1.00 0.00 WT3 H ATOM 38455 OH2 TIP3 1874 1.653 -3.101 5.696 1.00 0.00 WT3 O ATOM 38456 H1 TIP3 1874 1.238 -15.466 5.075 1.00 0.00 WT3 H ATOM 38457 H2 TIP3 1874 -7.461 -1.751 2.069 1.00 0.00 WT3 H ATOM 38458 OH2 TIP3 1875 -9.898 -3.734 2.727 1.00 0.00 WT3 O ATOM 38459 H1 TIP3 1875 -12.884 -6.526 2.877 1.00 0.00 WT3 H ATOM 38460 H2 TIP3 1875 -6.389 -5.466 -0.436 1.00 0.00 WT3 H ATOM 38461 OH2 TIP3 1876 -5.455 -4.170 5.566 1.00 0.00 WT3 O ATOM 38462 H1 TIP3 1876 -3.350 -2.172 -8.402 1.00 0.00 WT3 H ATOM 38463 H2 TIP3 1876 -1.047 -0.006 -23.976 1.00 0.00 WT3 H ATOM 38464 OH2 TIP3 1878 0.446 -0.490 0.770 1.00 0.00 WT3 O ATOM 38465 H1 TIP3 1878 4.833 13.409 -23.148 1.00 0.00 WT3 H ATOM 38466 H2 TIP3 1878 5.283 1.484 -17.769 1.00 0.00 WT3 H ATOM 38467 OH2 TIP3 1879 -0.124 -7.836 2.886 1.00 0.00 WT3 O ATOM 38468 H1 TIP3 1879 -1.029 -8.107 -6.164 1.00 0.00 WT3 H ATOM 38469 H2 TIP3 1879 10.733 3.822 -18.177 1.00 0.00 WT3 H ATOM 38470 OH2 TIP3 1880 -1.126 2.926 -9.086 1.00 0.00 WT3 O ATOM 38471 H1 TIP3 1880 -2.993 -16.527 -6.533 1.00 0.00 WT3 H ATOM 38472 H2 TIP3 1880 -12.271 -6.213 -13.677 1.00 0.00 WT3 H ATOM 38473 OH2 TIP3 1881 -4.318 1.121 -1.207 1.00 0.00 WT3 O ATOM 38474 H1 TIP3 1881 11.156 4.984 -1.636 1.00 0.00 WT3 H ATOM 38475 H2 TIP3 1881 -9.874 1.099 -0.669 1.00 0.00 WT3 H ATOM 38476 OH2 TIP3 1882 -2.255 0.067 0.580 1.00 0.00 WT3 O ATOM 38477 H1 TIP3 1882 -17.188 5.010 -13.566 1.00 0.00 WT3 H ATOM 38478 H2 TIP3 1882 0.917 -24.007 -20.522 1.00 0.00 WT3 H ATOM 38479 OH2 TIP3 1883 -1.017 -2.393 0.355 1.00 0.00 WT3 O ATOM 38480 H1 TIP3 1883 -19.301 -24.859 20.389 1.00 0.00 WT3 H ATOM 38481 H2 TIP3 1883 -9.901 -7.274 3.482 1.00 0.00 WT3 H ATOM 38482 OH2 TIP3 1885 -2.091 0.161 1.556 1.00 0.00 WT3 O ATOM 38483 H1 TIP3 1885 -1.792 15.617 4.232 1.00 0.00 WT3 H ATOM 38484 H2 TIP3 1885 -6.068 -3.330 -13.098 1.00 0.00 WT3 H ATOM 38485 OH2 TIP3 1886 0.137 -1.803 6.258 1.00 0.00 WT3 O ATOM 38486 H1 TIP3 1886 -8.073 -13.119 -0.808 1.00 0.00 WT3 H ATOM 38487 H2 TIP3 1886 15.122 -10.504 5.549 1.00 0.00 WT3 H ATOM 38488 OH2 TIP3 1887 5.805 -2.873 1.004 1.00 0.00 WT3 O ATOM 38489 H1 TIP3 1887 -0.353 -12.601 6.329 1.00 0.00 WT3 H ATOM 38490 H2 TIP3 1887 18.665 -6.440 1.393 1.00 0.00 WT3 H ATOM 38491 OH2 TIP3 1888 0.447 -0.594 -6.819 1.00 0.00 WT3 O ATOM 38492 H1 TIP3 1888 -1.439 -3.694 -10.619 1.00 0.00 WT3 H ATOM 38493 H2 TIP3 1888 4.836 -1.507 0.336 1.00 0.00 WT3 H ATOM 38494 OH2 TIP3 1889 6.369 -0.466 7.210 1.00 0.00 WT3 O ATOM 38495 H1 TIP3 1889 4.000 -23.565 -0.829 1.00 0.00 WT3 H ATOM 38496 H2 TIP3 1889 -5.940 -12.806 9.307 1.00 0.00 WT3 H ATOM 38497 OH2 TIP3 1890 7.389 -0.684 -1.857 1.00 0.00 WT3 O ATOM 38498 H1 TIP3 1890 4.155 -4.538 3.677 1.00 0.00 WT3 H ATOM 38499 H2 TIP3 1890 15.850 -2.962 -0.783 1.00 0.00 WT3 H ATOM 38500 OH2 TIP3 1891 -7.789 -8.164 3.539 1.00 0.00 WT3 O ATOM 38501 H1 TIP3 1891 -10.579 -2.611 0.904 1.00 0.00 WT3 H ATOM 38502 H2 TIP3 1891 10.352 -12.603 18.756 1.00 0.00 WT3 H ATOM 38503 OH2 TIP3 1893 0.327 4.280 7.798 1.00 0.00 WT3 O ATOM 38504 H1 TIP3 1893 11.974 15.928 14.832 1.00 0.00 WT3 H ATOM 38505 H2 TIP3 1893 -10.514 -2.641 3.895 1.00 0.00 WT3 H ATOM 38506 OH2 TIP3 1894 -3.492 -2.616 0.530 1.00 0.00 WT3 O ATOM 38507 H1 TIP3 1894 -13.375 3.896 -3.726 1.00 0.00 WT3 H ATOM 38508 H2 TIP3 1894 6.170 2.568 -5.552 1.00 0.00 WT3 H ATOM 38509 OH2 TIP3 1895 4.587 -1.378 4.673 1.00 0.00 WT3 O ATOM 38510 H1 TIP3 1895 12.916 16.958 -13.124 1.00 0.00 WT3 H ATOM 38511 H2 TIP3 1895 2.251 -5.049 11.382 1.00 0.00 WT3 H ATOM 38512 OH2 TIP3 1896 -1.130 0.557 1.454 1.00 0.00 WT3 O ATOM 38513 H1 TIP3 1896 2.961 24.143 -12.709 1.00 0.00 WT3 H ATOM 38514 H2 TIP3 1896 -5.235 -6.122 1.005 1.00 0.00 WT3 H ATOM 38515 OH2 TIP3 1897 0.888 3.595 1.459 1.00 0.00 WT3 O ATOM 38516 H1 TIP3 1897 18.094 12.097 10.679 1.00 0.00 WT3 H ATOM 38517 H2 TIP3 1897 -17.325 -9.381 24.944 1.00 0.00 WT3 H ATOM 38518 OH2 TIP3 1898 5.097 3.288 -2.070 1.00 0.00 WT3 O ATOM 38519 H1 TIP3 1898 -0.352 24.281 10.871 1.00 0.00 WT3 H ATOM 38520 H2 TIP3 1898 7.435 15.443 -0.170 1.00 0.00 WT3 H ATOM 38521 OH2 TIP3 1899 -0.638 2.537 -6.153 1.00 0.00 WT3 O ATOM 38522 H1 TIP3 1899 -8.082 10.607 -16.043 1.00 0.00 WT3 H ATOM 38523 H2 TIP3 1899 -13.438 -7.861 3.223 1.00 0.00 WT3 H ATOM 38524 OH2 TIP3 1900 1.435 -5.098 -2.942 1.00 0.00 WT3 O ATOM 38525 H1 TIP3 1900 16.238 47.832 -19.029 1.00 0.00 WT3 H ATOM 38526 H2 TIP3 1900 3.906 8.586 1.308 1.00 0.00 WT3 H ATOM 38527 OH2 TIP3 1901 -1.836 0.717 2.262 1.00 0.00 WT3 O ATOM 38528 H1 TIP3 1901 -7.166 -6.620 5.265 1.00 0.00 WT3 H ATOM 38529 H2 TIP3 1901 -13.059 -6.814 10.035 1.00 0.00 WT3 H ATOM 38530 OH2 TIP3 1902 9.234 -3.264 -1.349 1.00 0.00 WT3 O ATOM 38531 H1 TIP3 1902 20.169 6.303 18.475 1.00 0.00 WT3 H ATOM 38532 H2 TIP3 1902 11.360 4.255 10.928 1.00 0.00 WT3 H ATOM 38533 OH2 TIP3 1903 -2.439 -6.420 -1.555 1.00 0.00 WT3 O ATOM 38534 H1 TIP3 1903 21.777 7.124 6.797 1.00 0.00 WT3 H ATOM 38535 H2 TIP3 1903 -8.748 -16.038 21.514 1.00 0.00 WT3 H ATOM 38536 OH2 TIP3 1904 -6.149 2.818 -5.708 1.00 0.00 WT3 O ATOM 38537 H1 TIP3 1904 -3.174 2.134 3.520 1.00 0.00 WT3 H ATOM 38538 H2 TIP3 1904 -13.987 -0.254 -11.261 1.00 0.00 WT3 H ATOM 38539 OH2 TIP3 1905 4.361 3.690 -2.579 1.00 0.00 WT3 O ATOM 38540 H1 TIP3 1905 -0.803 -1.387 -16.567 1.00 0.00 WT3 H ATOM 38541 H2 TIP3 1905 7.411 19.897 -6.611 1.00 0.00 WT3 H ATOM 38542 OH2 TIP3 1906 -3.666 7.880 0.442 1.00 0.00 WT3 O ATOM 38543 H1 TIP3 1906 -6.624 -17.860 -1.901 1.00 0.00 WT3 H ATOM 38544 H2 TIP3 1906 -1.367 2.711 12.369 1.00 0.00 WT3 H ATOM 38545 OH2 TIP3 1907 2.576 6.039 2.047 1.00 0.00 WT3 O ATOM 38546 H1 TIP3 1907 7.242 -26.423 8.767 1.00 0.00 WT3 H ATOM 38547 H2 TIP3 1907 -22.559 32.909 22.552 1.00 0.00 WT3 H ATOM 38548 OH2 TIP3 1908 -4.059 1.761 1.980 1.00 0.00 WT3 O ATOM 38549 H1 TIP3 1908 -4.776 1.888 0.635 1.00 0.00 WT3 H ATOM 38550 H2 TIP3 1908 -11.783 10.907 -1.566 1.00 0.00 WT3 H ATOM 38551 OH2 TIP3 1909 2.895 -4.174 -0.339 1.00 0.00 WT3 O ATOM 38552 H1 TIP3 1909 7.331 -4.445 1.979 1.00 0.00 WT3 H ATOM 38553 H2 TIP3 1909 14.131 -7.985 -8.992 1.00 0.00 WT3 H ATOM 38554 OH2 TIP3 1911 -1.169 1.548 -1.962 1.00 0.00 WT3 O ATOM 38555 H1 TIP3 1911 5.982 5.989 3.580 1.00 0.00 WT3 H ATOM 38556 H2 TIP3 1911 -16.493 -9.937 7.384 1.00 0.00 WT3 H ATOM 38557 OH2 TIP3 1912 -10.542 1.808 5.674 1.00 0.00 WT3 O ATOM 38558 H1 TIP3 1912 -9.730 -1.911 -4.708 1.00 0.00 WT3 H ATOM 38559 H2 TIP3 1912 -10.883 5.643 16.695 1.00 0.00 WT3 H ATOM 38560 OH2 TIP3 1914 -6.651 -2.653 -4.550 1.00 0.00 WT3 O ATOM 38561 H1 TIP3 1914 0.176 -1.586 -7.904 1.00 0.00 WT3 H ATOM 38562 H2 TIP3 1914 -18.770 -3.361 15.015 1.00 0.00 WT3 H ATOM 38563 OH2 TIP3 1915 1.916 -3.871 2.203 1.00 0.00 WT3 O ATOM 38564 H1 TIP3 1915 -4.010 -7.370 6.535 1.00 0.00 WT3 H ATOM 38565 H2 TIP3 1915 8.547 -2.603 -2.296 1.00 0.00 WT3 H ATOM 38566 OH2 TIP3 1917 -1.293 1.825 -1.994 1.00 0.00 WT3 O ATOM 38567 H1 TIP3 1917 6.752 -8.870 0.567 1.00 0.00 WT3 H ATOM 38568 H2 TIP3 1917 -2.082 3.536 -1.617 1.00 0.00 WT3 H ATOM 38569 OH2 TIP3 1919 7.309 2.911 -5.357 1.00 0.00 WT3 O ATOM 38570 H1 TIP3 1919 -0.253 -22.940 -12.802 1.00 0.00 WT3 H ATOM 38571 H2 TIP3 1919 0.320 -2.078 -5.991 1.00 0.00 WT3 H ATOM 38572 OH2 TIP3 1920 -0.691 -0.694 1.305 1.00 0.00 WT3 O ATOM 38573 H1 TIP3 1920 10.427 1.288 -5.128 1.00 0.00 WT3 H ATOM 38574 H2 TIP3 1920 -6.019 -4.425 2.602 1.00 0.00 WT3 H ATOM 38575 OH2 TIP3 1921 -0.855 2.631 2.956 1.00 0.00 WT3 O ATOM 38576 H1 TIP3 1921 -7.464 3.902 -1.068 1.00 0.00 WT3 H ATOM 38577 H2 TIP3 1921 8.621 -2.054 0.467 1.00 0.00 WT3 H ATOM 38578 OH2 TIP3 1922 3.587 6.544 -2.569 1.00 0.00 WT3 O ATOM 38579 H1 TIP3 1922 6.341 10.461 -0.541 1.00 0.00 WT3 H ATOM 38580 H2 TIP3 1922 6.073 -0.808 22.170 1.00 0.00 WT3 H ATOM 38581 OH2 TIP3 1923 2.425 -2.049 2.870 1.00 0.00 WT3 O ATOM 38582 H1 TIP3 1923 3.488 -10.042 -5.447 1.00 0.00 WT3 H ATOM 38583 H2 TIP3 1923 5.621 -1.442 -6.098 1.00 0.00 WT3 H ATOM 38584 OH2 TIP3 1925 1.150 1.361 0.496 1.00 0.00 WT3 O ATOM 38585 H1 TIP3 1925 -5.583 24.732 -21.508 1.00 0.00 WT3 H ATOM 38586 H2 TIP3 1925 4.174 4.589 -0.499 1.00 0.00 WT3 H ATOM 38587 OH2 TIP3 1926 -0.385 4.990 -5.085 1.00 0.00 WT3 O ATOM 38588 H1 TIP3 1926 19.964 8.125 6.613 1.00 0.00 WT3 H ATOM 38589 H2 TIP3 1926 -14.426 12.222 0.173 1.00 0.00 WT3 H ATOM 38590 OH2 TIP3 1927 2.880 -1.856 -0.545 1.00 0.00 WT3 O ATOM 38591 H1 TIP3 1927 -13.050 -7.988 2.776 1.00 0.00 WT3 H ATOM 38592 H2 TIP3 1927 4.981 -16.052 11.371 1.00 0.00 WT3 H ATOM 38593 OH2 TIP3 1928 2.932 2.333 -5.819 1.00 0.00 WT3 O ATOM 38594 H1 TIP3 1928 -11.056 12.654 -0.923 1.00 0.00 WT3 H ATOM 38595 H2 TIP3 1928 16.498 13.256 -4.535 1.00 0.00 WT3 H ATOM 38596 OH2 TIP3 1929 3.977 1.265 -4.784 1.00 0.00 WT3 O ATOM 38597 H1 TIP3 1929 6.508 9.566 -16.369 1.00 0.00 WT3 H ATOM 38598 H2 TIP3 1929 -10.668 -3.392 -0.487 1.00 0.00 WT3 H ATOM 38599 OH2 TIP3 1930 -0.075 -0.574 1.202 1.00 0.00 WT3 O ATOM 38600 H1 TIP3 1930 -4.423 5.572 -3.121 1.00 0.00 WT3 H ATOM 38601 H2 TIP3 1930 14.693 2.985 4.952 1.00 0.00 WT3 H ATOM 38602 OH2 TIP3 1931 4.675 2.378 -2.498 1.00 0.00 WT3 O ATOM 38603 H1 TIP3 1931 12.106 16.483 9.120 1.00 0.00 WT3 H ATOM 38604 H2 TIP3 1931 6.552 6.497 -9.677 1.00 0.00 WT3 H ATOM 38605 OH2 TIP3 1932 2.488 -1.606 1.206 1.00 0.00 WT3 O ATOM 38606 H1 TIP3 1932 8.924 -24.315 6.189 1.00 0.00 WT3 H ATOM 38607 H2 TIP3 1932 11.358 -10.837 -9.788 1.00 0.00 WT3 H ATOM 38608 OH2 TIP3 1935 3.500 -0.820 -5.145 1.00 0.00 WT3 O ATOM 38609 H1 TIP3 1935 -30.037 -6.053 13.739 1.00 0.00 WT3 H ATOM 38610 H2 TIP3 1935 15.763 0.294 2.890 1.00 0.00 WT3 H ATOM 38611 OH2 TIP3 1936 11.843 2.267 0.284 1.00 0.00 WT3 O ATOM 38612 H1 TIP3 1936 -4.519 22.026 -32.873 1.00 0.00 WT3 H ATOM 38613 H2 TIP3 1936 11.950 2.600 -0.010 1.00 0.00 WT3 H ATOM 38614 OH2 TIP3 1937 -5.410 4.947 -5.288 1.00 0.00 WT3 O ATOM 38615 H1 TIP3 1937 -1.710 -9.330 -3.965 1.00 0.00 WT3 H ATOM 38616 H2 TIP3 1937 -11.533 2.019 8.156 1.00 0.00 WT3 H ATOM 38617 OH2 TIP3 1938 -2.901 -6.088 -4.005 1.00 0.00 WT3 O ATOM 38618 H1 TIP3 1938 11.936 7.383 -8.238 1.00 0.00 WT3 H ATOM 38619 H2 TIP3 1938 -23.025 4.659 -7.282 1.00 0.00 WT3 H ATOM 38620 OH2 TIP3 1940 -2.601 -2.836 -0.085 1.00 0.00 WT3 O ATOM 38621 H1 TIP3 1940 -6.241 -20.567 15.272 1.00 0.00 WT3 H ATOM 38622 H2 TIP3 1940 0.643 13.254 -14.089 1.00 0.00 WT3 H ATOM 38623 OH2 TIP3 1941 -0.022 -1.987 -2.135 1.00 0.00 WT3 O ATOM 38624 H1 TIP3 1941 2.074 20.197 -3.033 1.00 0.00 WT3 H ATOM 38625 H2 TIP3 1941 -18.068 -5.311 2.798 1.00 0.00 WT3 H ATOM 38626 OH2 TIP3 1943 -1.480 6.821 9.702 1.00 0.00 WT3 O ATOM 38627 H1 TIP3 1943 0.351 3.182 4.896 1.00 0.00 WT3 H ATOM 38628 H2 TIP3 1943 4.259 -1.597 1.875 1.00 0.00 WT3 H ATOM 38629 OH2 TIP3 1944 4.694 -8.378 -4.310 1.00 0.00 WT3 O ATOM 38630 H1 TIP3 1944 17.353 -26.452 -1.402 1.00 0.00 WT3 H ATOM 38631 H2 TIP3 1944 4.907 2.384 11.068 1.00 0.00 WT3 H ATOM 38632 OH2 TIP3 1945 -2.401 -6.673 -5.556 1.00 0.00 WT3 O ATOM 38633 H1 TIP3 1945 1.710 -10.003 4.426 1.00 0.00 WT3 H ATOM 38634 H2 TIP3 1945 2.293 -9.474 6.796 1.00 0.00 WT3 H ATOM 38635 OH2 TIP3 1947 1.939 3.166 -3.899 1.00 0.00 WT3 O ATOM 38636 H1 TIP3 1947 2.972 3.645 1.911 1.00 0.00 WT3 H ATOM 38637 H2 TIP3 1947 -6.391 -5.747 8.630 1.00 0.00 WT3 H ATOM 38638 OH2 TIP3 1948 -0.794 -1.298 -0.783 1.00 0.00 WT3 O ATOM 38639 H1 TIP3 1948 23.385 12.064 18.176 1.00 0.00 WT3 H ATOM 38640 H2 TIP3 1948 -17.036 10.211 -5.498 1.00 0.00 WT3 H ATOM 38641 OH2 TIP3 1949 2.219 -1.575 1.454 1.00 0.00 WT3 O ATOM 38642 H1 TIP3 1949 -4.309 -11.840 -22.038 1.00 0.00 WT3 H ATOM 38643 H2 TIP3 1949 -23.702 7.270 14.240 1.00 0.00 WT3 H ATOM 38644 OH2 TIP3 1950 -1.472 -4.979 -2.579 1.00 0.00 WT3 O ATOM 38645 H1 TIP3 1950 -23.223 -7.865 -14.629 1.00 0.00 WT3 H ATOM 38646 H2 TIP3 1950 1.075 -4.805 -1.273 1.00 0.00 WT3 H ATOM 38647 OH2 TIP3 1951 0.778 6.456 -0.405 1.00 0.00 WT3 O ATOM 38648 H1 TIP3 1951 6.642 6.035 8.817 1.00 0.00 WT3 H ATOM 38649 H2 TIP3 1951 -16.867 5.239 8.095 1.00 0.00 WT3 H ATOM 38650 OH2 TIP3 1952 3.282 3.843 2.417 1.00 0.00 WT3 O ATOM 38651 H1 TIP3 1952 19.055 17.086 -1.068 1.00 0.00 WT3 H ATOM 38652 H2 TIP3 1952 -0.286 0.809 5.218 1.00 0.00 WT3 H ATOM 38653 OH2 TIP3 1954 -3.638 1.412 -3.871 1.00 0.00 WT3 O ATOM 38654 H1 TIP3 1954 7.732 -10.277 -10.721 1.00 0.00 WT3 H ATOM 38655 H2 TIP3 1954 -12.239 -8.003 7.505 1.00 0.00 WT3 H ATOM 38656 OH2 TIP3 1955 2.283 1.642 7.234 1.00 0.00 WT3 O ATOM 38657 H1 TIP3 1955 9.089 -2.002 5.052 1.00 0.00 WT3 H ATOM 38658 H2 TIP3 1955 -4.804 5.625 10.635 1.00 0.00 WT3 H ATOM 38659 OH2 TIP3 1956 -4.913 -5.369 -3.587 1.00 0.00 WT3 O ATOM 38660 H1 TIP3 1956 -8.036 -4.682 -6.402 1.00 0.00 WT3 H ATOM 38661 H2 TIP3 1956 -18.749 4.143 -7.582 1.00 0.00 WT3 H ATOM 38662 OH2 TIP3 1957 -0.709 1.103 1.331 1.00 0.00 WT3 O ATOM 38663 H1 TIP3 1957 -13.991 -2.526 7.030 1.00 0.00 WT3 H ATOM 38664 H2 TIP3 1957 2.870 2.426 1.010 1.00 0.00 WT3 H ATOM 38665 OH2 TIP3 1958 -2.015 -2.196 -6.225 1.00 0.00 WT3 O ATOM 38666 H1 TIP3 1958 -6.255 24.170 -9.753 1.00 0.00 WT3 H ATOM 38667 H2 TIP3 1958 -1.961 3.947 -9.173 1.00 0.00 WT3 H ATOM 38668 OH2 TIP3 1960 -0.322 1.499 2.293 1.00 0.00 WT3 O ATOM 38669 H1 TIP3 1960 11.107 -11.677 -4.466 1.00 0.00 WT3 H ATOM 38670 H2 TIP3 1960 -14.584 -5.178 -7.256 1.00 0.00 WT3 H ATOM 38671 OH2 TIP3 1961 3.597 0.382 -0.319 1.00 0.00 WT3 O ATOM 38672 H1 TIP3 1961 10.625 11.573 9.841 1.00 0.00 WT3 H ATOM 38673 H2 TIP3 1961 -2.820 13.374 -27.168 1.00 0.00 WT3 H ATOM 38674 OH2 TIP3 1962 2.351 0.509 -2.239 1.00 0.00 WT3 O ATOM 38675 H1 TIP3 1962 13.091 -3.763 4.999 1.00 0.00 WT3 H ATOM 38676 H2 TIP3 1962 2.205 -1.031 -7.342 1.00 0.00 WT3 H ATOM 38677 OH2 TIP3 1965 0.287 2.231 -2.825 1.00 0.00 WT3 O ATOM 38678 H1 TIP3 1965 -1.829 -23.332 0.587 1.00 0.00 WT3 H ATOM 38679 H2 TIP3 1965 2.812 23.237 -5.660 1.00 0.00 WT3 H ATOM 38680 OH2 TIP3 1966 1.688 -0.096 -2.036 1.00 0.00 WT3 O ATOM 38681 H1 TIP3 1966 -6.528 -4.536 4.201 1.00 0.00 WT3 H ATOM 38682 H2 TIP3 1966 7.497 3.603 10.819 1.00 0.00 WT3 H ATOM 38683 OH2 TIP3 1967 -0.535 -1.291 3.587 1.00 0.00 WT3 O ATOM 38684 H1 TIP3 1967 19.321 0.697 11.172 1.00 0.00 WT3 H ATOM 38685 H2 TIP3 1967 -2.595 11.016 7.057 1.00 0.00 WT3 H ATOM 38686 OH2 TIP3 1969 8.985 -0.553 -6.388 1.00 0.00 WT3 O ATOM 38687 H1 TIP3 1969 3.990 1.948 -7.185 1.00 0.00 WT3 H ATOM 38688 H2 TIP3 1969 -2.304 -2.841 -21.055 1.00 0.00 WT3 H ATOM 38689 OH2 TIP3 1970 -0.303 -4.234 1.730 1.00 0.00 WT3 O ATOM 38690 H1 TIP3 1970 -2.286 -32.299 -29.218 1.00 0.00 WT3 H ATOM 38691 H2 TIP3 1970 16.577 3.887 -2.244 1.00 0.00 WT3 H ATOM 38692 OH2 TIP3 1971 -2.086 -1.333 0.434 1.00 0.00 WT3 O ATOM 38693 H1 TIP3 1971 -2.643 0.153 -5.075 1.00 0.00 WT3 H ATOM 38694 H2 TIP3 1971 -5.936 8.848 4.312 1.00 0.00 WT3 H ATOM 38695 OH2 TIP3 1973 2.481 -0.025 0.960 1.00 0.00 WT3 O ATOM 38696 H1 TIP3 1973 -2.576 -15.789 6.672 1.00 0.00 WT3 H ATOM 38697 H2 TIP3 1973 2.214 -7.890 -11.949 1.00 0.00 WT3 H ATOM 38698 OH2 TIP3 1974 -3.911 1.997 1.657 1.00 0.00 WT3 O ATOM 38699 H1 TIP3 1974 0.202 -13.530 -7.620 1.00 0.00 WT3 H ATOM 38700 H2 TIP3 1974 -2.204 -0.973 5.461 1.00 0.00 WT3 H ATOM 38701 OH2 TIP3 1977 0.277 2.048 1.765 1.00 0.00 WT3 O ATOM 38702 H1 TIP3 1977 -24.098 -21.857 -18.785 1.00 0.00 WT3 H ATOM 38703 H2 TIP3 1977 -2.550 17.351 -10.635 1.00 0.00 WT3 H ATOM 38704 OH2 TIP3 1982 7.172 -2.705 1.458 1.00 0.00 WT3 O ATOM 38705 H1 TIP3 1982 10.318 -4.497 3.675 1.00 0.00 WT3 H ATOM 38706 H2 TIP3 1982 12.836 -9.220 -1.275 1.00 0.00 WT3 H ATOM 38707 OH2 TIP3 1983 -0.339 -3.838 1.276 1.00 0.00 WT3 O ATOM 38708 H1 TIP3 1983 10.614 2.257 -6.099 1.00 0.00 WT3 H ATOM 38709 H2 TIP3 1983 2.047 -2.027 -0.090 1.00 0.00 WT3 H ATOM 38710 OH2 TIP3 1987 6.461 0.406 1.484 1.00 0.00 WT3 O ATOM 38711 H1 TIP3 1987 -5.061 -5.639 2.367 1.00 0.00 WT3 H ATOM 38712 H2 TIP3 1987 -1.198 18.032 2.242 1.00 0.00 WT3 H ATOM 38713 OH2 TIP3 1988 -6.573 0.497 -1.587 1.00 0.00 WT3 O ATOM 38714 H1 TIP3 1988 -3.816 5.236 -6.848 1.00 0.00 WT3 H ATOM 38715 H2 TIP3 1988 -12.268 5.515 3.500 1.00 0.00 WT3 H ATOM 38716 OH2 TIP3 1991 1.944 4.329 -6.263 1.00 0.00 WT3 O ATOM 38717 H1 TIP3 1991 -0.518 -3.067 -2.601 1.00 0.00 WT3 H ATOM 38718 H2 TIP3 1991 10.243 12.347 -9.105 1.00 0.00 WT3 H ATOM 38719 OH2 TIP3 1993 1.799 1.852 -3.477 1.00 0.00 WT3 O ATOM 38720 H1 TIP3 1993 -9.540 1.284 -6.401 1.00 0.00 WT3 H ATOM 38721 H2 TIP3 1993 17.599 -16.028 -12.987 1.00 0.00 WT3 H ATOM 38722 OH2 TIP3 1994 1.078 -0.461 1.138 1.00 0.00 WT3 O ATOM 38723 H1 TIP3 1994 6.874 0.142 9.665 1.00 0.00 WT3 H ATOM 38724 H2 TIP3 1994 -2.117 7.679 0.506 1.00 0.00 WT3 H ATOM 38725 OH2 TIP3 1995 -0.149 -7.612 5.698 1.00 0.00 WT3 O ATOM 38726 H1 TIP3 1995 -1.923 -14.098 4.649 1.00 0.00 WT3 H ATOM 38727 H2 TIP3 1995 5.295 -9.314 3.344 1.00 0.00 WT3 H ATOM 38728 OH2 TIP3 1997 -7.137 -5.417 -5.648 1.00 0.00 WT3 O ATOM 38729 H1 TIP3 1997 5.931 -21.181 -5.800 1.00 0.00 WT3 H ATOM 38730 H2 TIP3 1997 -7.136 -1.715 -4.627 1.00 0.00 WT3 H ATOM 38731 OH2 TIP3 2002 4.284 -2.097 1.036 1.00 0.00 WT3 O ATOM 38732 H1 TIP3 2002 6.645 5.598 -10.451 1.00 0.00 WT3 H ATOM 38733 H2 TIP3 2002 -15.722 -5.202 5.736 1.00 0.00 WT3 H ATOM 38734 OH2 TIP3 2003 -4.831 -4.780 7.923 1.00 0.00 WT3 O ATOM 38735 H1 TIP3 2003 -3.877 -5.339 7.229 1.00 0.00 WT3 H ATOM 38736 H2 TIP3 2003 -15.946 4.962 -8.134 1.00 0.00 WT3 H ATOM 38737 OH2 TIP3 2008 3.978 -4.740 6.403 1.00 0.00 WT3 O ATOM 38738 H1 TIP3 2008 9.317 4.330 -8.403 1.00 0.00 WT3 H ATOM 38739 H2 TIP3 2008 7.188 -11.079 7.626 1.00 0.00 WT3 H ATOM 38740 OH2 TIP3 2009 -0.994 2.716 -4.368 1.00 0.00 WT3 O ATOM 38741 H1 TIP3 2009 -16.811 19.720 8.849 1.00 0.00 WT3 H ATOM 38742 H2 TIP3 2009 -5.969 -3.337 2.137 1.00 0.00 WT3 H ATOM 38743 OH2 TIP3 2012 1.821 4.399 -4.604 1.00 0.00 WT3 O ATOM 38744 H1 TIP3 2012 -2.567 4.569 0.697 1.00 0.00 WT3 H ATOM 38745 H2 TIP3 2012 4.973 4.870 1.105 1.00 0.00 WT3 H ATOM 38746 OH2 TIP3 2020 1.463 -3.065 1.885 1.00 0.00 WT3 O ATOM 38747 H1 TIP3 2020 -45.433 18.512 -25.870 1.00 0.00 WT3 H ATOM 38748 H2 TIP3 2020 -14.517 6.729 -7.141 1.00 0.00 WT3 H ATOM 38749 OH2 TIP3 2021 1.528 -4.402 -2.925 1.00 0.00 WT3 O ATOM 38750 H1 TIP3 2021 -11.132 -5.172 10.942 1.00 0.00 WT3 H ATOM 38751 H2 TIP3 2021 -8.063 -5.565 9.699 1.00 0.00 WT3 H ATOM 38752 OH2 TIP3 2028 2.483 8.481 3.709 1.00 0.00 WT3 O ATOM 38753 H1 TIP3 2028 -3.250 16.437 17.601 1.00 0.00 WT3 H ATOM 38754 H2 TIP3 2028 -11.829 -2.414 0.477 1.00 0.00 WT3 H ATOM 38755 OH2 TIP3 2035 -4.502 2.107 2.339 1.00 0.00 WT3 O ATOM 38756 H1 TIP3 2035 -9.769 0.376 7.360 1.00 0.00 WT3 H ATOM 38757 H2 TIP3 2035 -7.242 -5.285 11.672 1.00 0.00 WT3 H ATOM 38758 OH2 TIP3 2049 -3.167 -2.457 6.633 1.00 0.00 WT3 O ATOM 38759 H1 TIP3 2049 -3.208 -32.867 -3.542 1.00 0.00 WT3 H ATOM 38760 H2 TIP3 2049 8.154 -8.432 -10.423 1.00 0.00 WT3 H ATOM 38761 OH2 TIP3 2105 -1.044 0.211 1.533 1.00 0.00 WT3 O ATOM 38762 H1 TIP3 2105 10.725 -3.192 6.577 1.00 0.00 WT3 H ATOM 38763 H2 TIP3 2105 -6.540 -7.437 -2.633 1.00 0.00 WT3 H ATOM 38764 OH2 TIP3 2123 -1.796 6.791 -0.816 1.00 0.00 WT3 O ATOM 38765 H1 TIP3 2123 -0.124 12.001 -8.247 1.00 0.00 WT3 H ATOM 38766 H2 TIP3 2123 3.923 5.029 5.248 1.00 0.00 WT3 H ATOM 38767 OH2 TIP3 2127 3.938 -3.567 2.327 1.00 0.00 WT3 O ATOM 38768 H1 TIP3 2127 11.206 -2.811 -22.169 1.00 0.00 WT3 H ATOM 38769 H2 TIP3 2127 8.523 -3.422 -11.922 1.00 0.00 WT3 H ATOM 38770 OH2 TIP3 2133 -5.309 -5.395 -6.621 1.00 0.00 WT3 O ATOM 38771 H1 TIP3 2133 -12.986 20.684 -3.821 1.00 0.00 WT3 H ATOM 38772 H2 TIP3 2133 -21.339 11.765 4.584 1.00 0.00 WT3 H ATOM 38773 OH2 TIP3 2145 -0.550 6.330 0.627 1.00 0.00 WT3 O ATOM 38774 H1 TIP3 2145 -1.918 8.068 -5.546 1.00 0.00 WT3 H ATOM 38775 H2 TIP3 2145 4.410 3.721 0.258 1.00 0.00 WT3 H ATOM 38776 OH2 TIP3 2147 -0.944 0.643 -0.340 1.00 0.00 WT3 O ATOM 38777 H1 TIP3 2147 -5.482 -3.411 19.836 1.00 0.00 WT3 H ATOM 38778 H2 TIP3 2147 -4.612 13.451 2.937 1.00 0.00 WT3 H ATOM 38779 OH2 TIP3 2151 1.043 -2.910 0.677 1.00 0.00 WT3 O ATOM 38780 H1 TIP3 2151 2.878 8.545 9.763 1.00 0.00 WT3 H ATOM 38781 H2 TIP3 2151 -23.747 -19.824 -19.683 1.00 0.00 WT3 H ATOM 38782 OH2 TIP3 2163 6.960 -0.569 -10.186 1.00 0.00 WT3 O ATOM 38783 H1 TIP3 2163 6.678 -12.418 2.188 1.00 0.00 WT3 H ATOM 38784 H2 TIP3 2163 -0.228 -2.165 -7.583 1.00 0.00 WT3 H ATOM 38785 OH2 TIP3 2165 -2.993 -4.939 -10.554 1.00 0.00 WT3 O ATOM 38786 H1 TIP3 2165 -3.686 -4.037 -6.361 1.00 0.00 WT3 H ATOM 38787 H2 TIP3 2165 -3.230 -4.960 -4.762 1.00 0.00 WT3 H ATOM 38788 OH2 TIP3 2167 -0.762 -2.344 -4.226 1.00 0.00 WT3 O ATOM 38789 H1 TIP3 2167 -5.108 1.739 -0.182 1.00 0.00 WT3 H ATOM 38790 H2 TIP3 2167 -5.657 12.712 7.160 1.00 0.00 WT3 H ATOM 38791 OH2 TIP3 2172 -5.065 4.289 0.539 1.00 0.00 WT3 O ATOM 38792 H1 TIP3 2172 -19.490 -15.157 17.642 1.00 0.00 WT3 H ATOM 38793 H2 TIP3 2172 16.616 -1.634 0.352 1.00 0.00 WT3 H ATOM 38794 OH2 TIP3 2180 0.175 -5.736 -5.067 1.00 0.00 WT3 O ATOM 38795 H1 TIP3 2180 4.354 16.436 -6.583 1.00 0.00 WT3 H ATOM 38796 H2 TIP3 2180 11.735 4.462 -4.130 1.00 0.00 WT3 H ATOM 38797 OH2 TIP3 2184 -5.308 -1.007 -4.639 1.00 0.00 WT3 O ATOM 38798 H1 TIP3 2184 4.784 7.262 -3.428 1.00 0.00 WT3 H ATOM 38799 H2 TIP3 2184 -28.818 2.455 2.145 1.00 0.00 WT3 H ATOM 38800 OH2 TIP3 2185 3.319 -5.935 -2.416 1.00 0.00 WT3 O ATOM 38801 H1 TIP3 2185 -0.858 -2.729 -2.793 1.00 0.00 WT3 H ATOM 38802 H2 TIP3 2185 -7.822 8.517 -1.109 1.00 0.00 WT3 H ATOM 38803 OH2 TIP3 2186 -5.088 -0.955 -4.795 1.00 0.00 WT3 O ATOM 38804 H1 TIP3 2186 -5.270 15.159 1.639 1.00 0.00 WT3 H ATOM 38805 H2 TIP3 2186 7.700 -11.008 -2.871 1.00 0.00 WT3 H ATOM 38806 OH2 TIP3 2187 -5.561 4.324 -3.686 1.00 0.00 WT3 O ATOM 38807 H1 TIP3 2187 -13.535 -27.273 -8.068 1.00 0.00 WT3 H ATOM 38808 H2 TIP3 2187 -8.948 19.429 -12.585 1.00 0.00 WT3 H ATOM 38809 OH2 TIP3 2197 2.418 -0.746 3.813 1.00 0.00 WT3 O ATOM 38810 H1 TIP3 2197 -1.130 -10.381 -1.970 1.00 0.00 WT3 H ATOM 38811 H2 TIP3 2197 13.394 12.811 7.297 1.00 0.00 WT3 H ATOM 38812 OH2 TIP3 2198 -3.031 -0.578 2.416 1.00 0.00 WT3 O ATOM 38813 H1 TIP3 2198 -1.258 -12.507 0.943 1.00 0.00 WT3 H ATOM 38814 H2 TIP3 2198 -3.701 -2.176 3.234 1.00 0.00 WT3 H ATOM 38815 OH2 TIP3 2200 -2.710 -2.467 1.107 1.00 0.00 WT3 O ATOM 38816 H1 TIP3 2200 -5.225 3.333 -15.132 1.00 0.00 WT3 H ATOM 38817 H2 TIP3 2200 17.135 8.159 14.122 1.00 0.00 WT3 H ATOM 38818 OH2 TIP3 2201 -1.464 -0.128 0.362 1.00 0.00 WT3 O ATOM 38819 H1 TIP3 2201 -9.390 -8.281 5.050 1.00 0.00 WT3 H ATOM 38820 H2 TIP3 2201 -16.467 -15.882 4.257 1.00 0.00 WT3 H ATOM 38821 OH2 TIP3 2203 5.189 3.719 5.738 1.00 0.00 WT3 O ATOM 38822 H1 TIP3 2203 -8.726 -4.635 16.974 1.00 0.00 WT3 H ATOM 38823 H2 TIP3 2203 20.434 6.771 2.538 1.00 0.00 WT3 H ATOM 38824 OH2 TIP3 2208 -1.396 -5.859 -2.581 1.00 0.00 WT3 O ATOM 38825 H1 TIP3 2208 -6.527 -9.638 -0.025 1.00 0.00 WT3 H ATOM 38826 H2 TIP3 2208 5.807 -0.290 -10.074 1.00 0.00 WT3 H ATOM 38827 OH2 TIP3 2211 1.929 -4.533 -2.293 1.00 0.00 WT3 O ATOM 38828 H1 TIP3 2211 8.474 -1.166 -6.905 1.00 0.00 WT3 H ATOM 38829 H2 TIP3 2211 2.264 -8.622 4.625 1.00 0.00 WT3 H ATOM 38830 OH2 TIP3 2212 -4.319 -0.172 11.533 1.00 0.00 WT3 O ATOM 38831 H1 TIP3 2212 -6.695 -14.848 10.172 1.00 0.00 WT3 H ATOM 38832 H2 TIP3 2212 -2.561 11.718 9.616 1.00 0.00 WT3 H ATOM 38833 OH2 TIP3 2213 -3.261 -1.463 -0.948 1.00 0.00 WT3 O ATOM 38834 H1 TIP3 2213 -14.139 0.958 16.825 1.00 0.00 WT3 H ATOM 38835 H2 TIP3 2213 15.230 2.658 3.681 1.00 0.00 WT3 H ATOM 38836 OH2 TIP3 2217 -8.480 5.310 -1.934 1.00 0.00 WT3 O ATOM 38837 H1 TIP3 2217 -22.819 5.494 8.126 1.00 0.00 WT3 H ATOM 38838 H2 TIP3 2217 3.521 3.516 -12.764 1.00 0.00 WT3 H ATOM 38839 OH2 TIP3 2219 -0.094 -6.266 0.998 1.00 0.00 WT3 O ATOM 38840 H1 TIP3 2219 14.347 -10.697 22.722 1.00 0.00 WT3 H ATOM 38841 H2 TIP3 2219 -8.258 -5.206 -10.122 1.00 0.00 WT3 H ATOM 38842 OH2 TIP3 2227 0.275 -3.188 -2.951 1.00 0.00 WT3 O ATOM 38843 H1 TIP3 2227 4.067 -12.595 3.192 1.00 0.00 WT3 H ATOM 38844 H2 TIP3 2227 9.680 -22.841 -2.214 1.00 0.00 WT3 H ATOM 38845 OH2 TIP3 2229 -3.256 0.755 -3.186 1.00 0.00 WT3 O ATOM 38846 H1 TIP3 2229 -27.342 -1.782 -12.873 1.00 0.00 WT3 H ATOM 38847 H2 TIP3 2229 11.127 -17.978 -7.858 1.00 0.00 WT3 H ATOM 38848 OH2 TIP3 2231 -1.068 5.575 6.371 1.00 0.00 WT3 O ATOM 38849 H1 TIP3 2231 3.033 -2.555 -4.052 1.00 0.00 WT3 H ATOM 38850 H2 TIP3 2231 -16.859 8.674 13.863 1.00 0.00 WT3 H ATOM 38851 OH2 TIP3 2232 0.221 -0.908 -0.696 1.00 0.00 WT3 O ATOM 38852 H1 TIP3 2232 2.872 3.163 5.072 1.00 0.00 WT3 H ATOM 38853 H2 TIP3 2232 7.504 -10.813 9.926 1.00 0.00 WT3 H ATOM 38854 OH2 TIP3 2234 -5.712 3.724 -6.352 1.00 0.00 WT3 O ATOM 38855 H1 TIP3 2234 -3.707 8.257 -12.698 1.00 0.00 WT3 H ATOM 38856 H2 TIP3 2234 5.047 9.213 -3.955 1.00 0.00 WT3 H ATOM 38857 OH2 TIP3 2236 -3.783 -4.627 -3.737 1.00 0.00 WT3 O ATOM 38858 H1 TIP3 2236 -9.921 -18.418 -5.400 1.00 0.00 WT3 H ATOM 38859 H2 TIP3 2236 2.522 -0.699 -14.599 1.00 0.00 WT3 H ATOM 38860 OH2 TIP3 2238 6.097 -2.309 1.614 1.00 0.00 WT3 O ATOM 38861 H1 TIP3 2238 12.450 -10.384 -25.135 1.00 0.00 WT3 H ATOM 38862 H2 TIP3 2238 -3.583 9.832 -0.694 1.00 0.00 WT3 H ATOM 38863 OH2 TIP3 2240 2.778 2.362 3.434 1.00 0.00 WT3 O ATOM 38864 H1 TIP3 2240 -4.891 -0.838 -8.861 1.00 0.00 WT3 H ATOM 38865 H2 TIP3 2240 -5.004 9.427 16.400 1.00 0.00 WT3 H ATOM 38866 OH2 TIP3 2241 -7.001 -3.716 1.950 1.00 0.00 WT3 O ATOM 38867 H1 TIP3 2241 -2.267 -2.074 -27.783 1.00 0.00 WT3 H ATOM 38868 H2 TIP3 2241 -4.981 -22.834 11.267 1.00 0.00 WT3 H ATOM 38869 OH2 TIP3 2242 2.115 -2.196 -0.541 1.00 0.00 WT3 O ATOM 38870 H1 TIP3 2242 4.763 26.111 8.144 1.00 0.00 WT3 H ATOM 38871 H2 TIP3 2242 -20.110 -0.180 -21.225 1.00 0.00 WT3 H ATOM 38872 OH2 TIP3 2244 -3.807 -0.443 -1.226 1.00 0.00 WT3 O ATOM 38873 H1 TIP3 2244 1.574 -11.560 -9.050 1.00 0.00 WT3 H ATOM 38874 H2 TIP3 2244 -10.821 -8.158 9.088 1.00 0.00 WT3 H ATOM 38875 OH2 TIP3 2247 0.702 0.934 -1.533 1.00 0.00 WT3 O ATOM 38876 H1 TIP3 2247 0.586 3.497 6.814 1.00 0.00 WT3 H ATOM 38877 H2 TIP3 2247 1.459 -2.605 -0.361 1.00 0.00 WT3 H ATOM 38878 OH2 TIP3 2248 -0.691 -3.198 7.845 1.00 0.00 WT3 O ATOM 38879 H1 TIP3 2248 4.171 -3.216 0.157 1.00 0.00 WT3 H ATOM 38880 H2 TIP3 2248 3.088 -3.321 -1.334 1.00 0.00 WT3 H ATOM 38881 OH2 TIP3 2249 -3.616 2.715 -2.128 1.00 0.00 WT3 O ATOM 38882 H1 TIP3 2249 4.500 5.475 1.475 1.00 0.00 WT3 H ATOM 38883 H2 TIP3 2249 -1.600 3.149 -1.782 1.00 0.00 WT3 H ATOM 38884 OH2 TIP3 2250 6.881 3.018 -3.667 1.00 0.00 WT3 O ATOM 38885 H1 TIP3 2250 1.219 3.115 9.560 1.00 0.00 WT3 H ATOM 38886 H2 TIP3 2250 -1.129 11.156 -4.879 1.00 0.00 WT3 H ATOM 38887 OH2 TIP3 2251 -0.567 -4.294 4.542 1.00 0.00 WT3 O ATOM 38888 H1 TIP3 2251 1.698 -8.007 6.075 1.00 0.00 WT3 H ATOM 38889 H2 TIP3 2251 0.492 -7.652 5.496 1.00 0.00 WT3 H ATOM 38890 OH2 TIP3 2253 0.225 2.916 1.154 1.00 0.00 WT3 O ATOM 38891 H1 TIP3 2253 -0.105 6.194 0.926 1.00 0.00 WT3 H ATOM 38892 H2 TIP3 2253 -0.027 -1.890 0.569 1.00 0.00 WT3 H ATOM 38893 OH2 TIP3 2254 3.271 -3.233 -0.202 1.00 0.00 WT3 O ATOM 38894 H1 TIP3 2254 38.413 -15.946 0.593 1.00 0.00 WT3 H ATOM 38895 H2 TIP3 2254 -3.268 6.860 -21.499 1.00 0.00 WT3 H ATOM 38896 OH2 TIP3 2256 -1.302 2.489 2.244 1.00 0.00 WT3 O ATOM 38897 H1 TIP3 2256 7.833 1.707 2.897 1.00 0.00 WT3 H ATOM 38898 H2 TIP3 2256 -5.846 1.495 -1.538 1.00 0.00 WT3 H ATOM 38899 OH2 TIP3 2257 -0.093 -4.652 0.623 1.00 0.00 WT3 O ATOM 38900 H1 TIP3 2257 14.453 -5.264 -7.492 1.00 0.00 WT3 H ATOM 38901 H2 TIP3 2257 -16.774 -1.299 5.731 1.00 0.00 WT3 H ATOM 38902 OH2 TIP3 2260 -0.427 0.004 -0.717 1.00 0.00 WT3 O ATOM 38903 H1 TIP3 2260 4.662 -18.268 37.148 1.00 0.00 WT3 H ATOM 38904 H2 TIP3 2260 -17.027 24.465 1.358 1.00 0.00 WT3 H ATOM 38905 OH2 TIP3 2261 -4.836 5.589 0.871 1.00 0.00 WT3 O ATOM 38906 H1 TIP3 2261 -2.761 18.843 9.937 1.00 0.00 WT3 H ATOM 38907 H2 TIP3 2261 9.189 -10.708 -27.367 1.00 0.00 WT3 H ATOM 38908 OH2 TIP3 2263 2.395 -7.135 2.168 1.00 0.00 WT3 O ATOM 38909 H1 TIP3 2263 10.160 -12.155 6.614 1.00 0.00 WT3 H ATOM 38910 H2 TIP3 2263 -12.077 -11.558 -8.068 1.00 0.00 WT3 H ATOM 38911 OH2 TIP3 2264 -0.342 -4.835 -1.743 1.00 0.00 WT3 O ATOM 38912 H1 TIP3 2264 -8.524 22.619 5.706 1.00 0.00 WT3 H ATOM 38913 H2 TIP3 2264 -18.286 -13.855 -11.124 1.00 0.00 WT3 H ATOM 38914 OH2 TIP3 2265 3.341 -0.124 -3.875 1.00 0.00 WT3 O ATOM 38915 H1 TIP3 2265 4.248 13.826 -4.818 1.00 0.00 WT3 H ATOM 38916 H2 TIP3 2265 2.363 8.585 1.670 1.00 0.00 WT3 H ATOM 38917 OH2 TIP3 2268 7.018 -3.372 -0.114 1.00 0.00 WT3 O ATOM 38918 H1 TIP3 2268 -6.834 3.761 4.023 1.00 0.00 WT3 H ATOM 38919 H2 TIP3 2268 -0.966 4.339 6.855 1.00 0.00 WT3 H ATOM 38920 OH2 TIP3 2269 4.051 10.520 10.509 1.00 0.00 WT3 O ATOM 38921 H1 TIP3 2269 16.537 10.558 6.135 1.00 0.00 WT3 H ATOM 38922 H2 TIP3 2269 15.362 -4.796 13.849 1.00 0.00 WT3 H ATOM 38923 OH2 TIP3 2270 1.581 -3.429 -3.219 1.00 0.00 WT3 O ATOM 38924 H1 TIP3 2270 -1.199 -5.931 0.953 1.00 0.00 WT3 H ATOM 38925 H2 TIP3 2270 18.829 2.460 -11.724 1.00 0.00 WT3 H ATOM 38926 OH2 TIP3 2271 -3.384 5.868 7.089 1.00 0.00 WT3 O ATOM 38927 H1 TIP3 2271 -8.585 -12.499 -0.346 1.00 0.00 WT3 H ATOM 38928 H2 TIP3 2271 -0.979 16.041 -14.602 1.00 0.00 WT3 H ATOM 38929 OH2 TIP3 2272 -7.304 -3.282 -5.182 1.00 0.00 WT3 O ATOM 38930 H1 TIP3 2272 -19.633 -10.318 -4.873 1.00 0.00 WT3 H ATOM 38931 H2 TIP3 2272 1.403 -6.884 3.584 1.00 0.00 WT3 H ATOM 38932 OH2 TIP3 2273 -1.315 -3.311 1.101 1.00 0.00 WT3 O ATOM 38933 H1 TIP3 2273 -0.677 -3.232 1.654 1.00 0.00 WT3 H ATOM 38934 H2 TIP3 2273 3.536 -3.337 1.414 1.00 0.00 WT3 H ATOM 38935 OH2 TIP3 2274 -0.695 -3.635 0.696 1.00 0.00 WT3 O ATOM 38936 H1 TIP3 2274 -20.795 -5.883 -15.812 1.00 0.00 WT3 H ATOM 38937 H2 TIP3 2274 20.917 -1.770 -24.637 1.00 0.00 WT3 H ATOM 38938 OH2 TIP3 2275 -2.495 4.000 1.933 1.00 0.00 WT3 O ATOM 38939 H1 TIP3 2275 9.199 -20.532 11.319 1.00 0.00 WT3 H ATOM 38940 H2 TIP3 2275 -4.760 -0.443 4.399 1.00 0.00 WT3 H ATOM 38941 OH2 TIP3 2277 2.743 -1.844 7.003 1.00 0.00 WT3 O ATOM 38942 H1 TIP3 2277 -11.024 -2.772 -17.324 1.00 0.00 WT3 H ATOM 38943 H2 TIP3 2277 -1.191 -17.550 -4.879 1.00 0.00 WT3 H ATOM 38944 OH2 TIP3 2279 -0.904 0.056 5.638 1.00 0.00 WT3 O ATOM 38945 H1 TIP3 2279 -11.627 4.002 0.065 1.00 0.00 WT3 H ATOM 38946 H2 TIP3 2279 6.626 -3.275 -0.602 1.00 0.00 WT3 H ATOM 38947 OH2 TIP3 2280 0.890 -5.221 4.820 1.00 0.00 WT3 O ATOM 38948 H1 TIP3 2280 -16.815 -3.231 13.997 1.00 0.00 WT3 H ATOM 38949 H2 TIP3 2280 -8.855 4.847 -5.286 1.00 0.00 WT3 H ATOM 38950 OH2 TIP3 2281 4.611 -8.600 -2.015 1.00 0.00 WT3 O ATOM 38951 H1 TIP3 2281 4.023 -1.536 15.242 1.00 0.00 WT3 H ATOM 38952 H2 TIP3 2281 -7.404 -17.390 -1.789 1.00 0.00 WT3 H ATOM 38953 OH2 TIP3 2282 8.768 1.624 10.509 1.00 0.00 WT3 O ATOM 38954 H1 TIP3 2282 -1.728 5.934 11.684 1.00 0.00 WT3 H ATOM 38955 H2 TIP3 2282 -6.167 10.473 27.476 1.00 0.00 WT3 H ATOM 38956 OH2 TIP3 2283 1.907 0.661 -0.292 1.00 0.00 WT3 O ATOM 38957 H1 TIP3 2283 -5.008 9.391 -8.353 1.00 0.00 WT3 H ATOM 38958 H2 TIP3 2283 -6.180 4.838 0.811 1.00 0.00 WT3 H ATOM 38959 OH2 TIP3 2284 3.271 -0.633 -6.774 1.00 0.00 WT3 O ATOM 38960 H1 TIP3 2284 0.176 -12.884 -22.810 1.00 0.00 WT3 H ATOM 38961 H2 TIP3 2284 11.772 3.382 -12.686 1.00 0.00 WT3 H ATOM 38962 OH2 TIP3 2286 -2.138 7.795 2.384 1.00 0.00 WT3 O ATOM 38963 H1 TIP3 2286 -6.912 2.445 7.411 1.00 0.00 WT3 H ATOM 38964 H2 TIP3 2286 -4.680 10.539 17.649 1.00 0.00 WT3 H ATOM 38965 OH2 TIP3 2287 1.764 1.119 -1.449 1.00 0.00 WT3 O ATOM 38966 H1 TIP3 2287 23.704 1.881 10.190 1.00 0.00 WT3 H ATOM 38967 H2 TIP3 2287 14.135 1.423 5.265 1.00 0.00 WT3 H ATOM 38968 OH2 TIP3 2288 1.936 -0.426 1.012 1.00 0.00 WT3 O ATOM 38969 H1 TIP3 2288 -19.041 6.794 3.200 1.00 0.00 WT3 H ATOM 38970 H2 TIP3 2288 1.323 -16.727 14.857 1.00 0.00 WT3 H ATOM 38971 OH2 TIP3 2289 5.539 -3.381 2.082 1.00 0.00 WT3 O ATOM 38972 H1 TIP3 2289 17.362 5.101 13.043 1.00 0.00 WT3 H ATOM 38973 H2 TIP3 2289 2.625 -4.282 -5.423 1.00 0.00 WT3 H ATOM 38974 OH2 TIP3 2291 3.178 2.441 5.224 1.00 0.00 WT3 O ATOM 38975 H1 TIP3 2291 -0.150 -0.463 -1.586 1.00 0.00 WT3 H ATOM 38976 H2 TIP3 2291 4.812 -4.185 7.723 1.00 0.00 WT3 H ATOM 38977 OH2 TIP3 2292 -4.435 -2.074 1.811 1.00 0.00 WT3 O ATOM 38978 H1 TIP3 2292 2.630 -5.538 10.417 1.00 0.00 WT3 H ATOM 38979 H2 TIP3 2292 9.023 -12.378 7.924 1.00 0.00 WT3 H ATOM 38980 OH2 TIP3 2293 4.311 -2.470 -0.937 1.00 0.00 WT3 O ATOM 38981 H1 TIP3 2293 -0.314 -6.826 5.214 1.00 0.00 WT3 H ATOM 38982 H2 TIP3 2293 -7.368 -20.936 2.835 1.00 0.00 WT3 H ATOM 38983 OH2 TIP3 2294 6.597 1.505 -5.967 1.00 0.00 WT3 O ATOM 38984 H1 TIP3 2294 11.271 -5.150 1.639 1.00 0.00 WT3 H ATOM 38985 H2 TIP3 2294 14.814 9.054 -8.302 1.00 0.00 WT3 H ATOM 38986 OH2 TIP3 2295 1.954 -6.196 -2.607 1.00 0.00 WT3 O ATOM 38987 H1 TIP3 2295 -3.324 -12.948 -10.938 1.00 0.00 WT3 H ATOM 38988 H2 TIP3 2295 -11.240 -1.626 15.467 1.00 0.00 WT3 H ATOM 38989 OH2 TIP3 2296 -0.367 0.464 1.453 1.00 0.00 WT3 O ATOM 38990 H1 TIP3 2296 -12.383 25.858 15.943 1.00 0.00 WT3 H ATOM 38991 H2 TIP3 2296 -8.054 12.340 5.057 1.00 0.00 WT3 H ATOM 38992 OH2 TIP3 2297 3.908 -1.839 0.412 1.00 0.00 WT3 O ATOM 38993 H1 TIP3 2297 7.882 -29.777 5.410 1.00 0.00 WT3 H ATOM 38994 H2 TIP3 2297 2.684 -11.734 -9.702 1.00 0.00 WT3 H ATOM 38995 OH2 TIP3 2299 6.714 1.179 -5.626 1.00 0.00 WT3 O ATOM 38996 H1 TIP3 2299 -1.490 30.838 -12.209 1.00 0.00 WT3 H ATOM 38997 H2 TIP3 2299 -2.841 -14.760 3.983 1.00 0.00 WT3 H ATOM 38998 OH2 TIP3 2300 0.058 2.162 1.683 1.00 0.00 WT3 O ATOM 38999 H1 TIP3 2300 -4.409 -9.945 -2.037 1.00 0.00 WT3 H ATOM 39000 H2 TIP3 2300 -10.940 6.840 4.221 1.00 0.00 WT3 H ATOM 39001 OH2 TIP3 2301 -4.445 4.786 1.128 1.00 0.00 WT3 O ATOM 39002 H1 TIP3 2301 3.911 -3.415 -0.847 1.00 0.00 WT3 H ATOM 39003 H2 TIP3 2301 0.698 24.464 3.483 1.00 0.00 WT3 H ATOM 39004 OH2 TIP3 2302 0.395 -6.613 4.112 1.00 0.00 WT3 O ATOM 39005 H1 TIP3 2302 -0.139 -3.563 3.425 1.00 0.00 WT3 H ATOM 39006 H2 TIP3 2302 -0.048 -7.611 1.478 1.00 0.00 WT3 H ATOM 39007 OH2 TIP3 2303 -4.823 1.402 -0.848 1.00 0.00 WT3 O ATOM 39008 H1 TIP3 2303 -1.515 13.912 14.880 1.00 0.00 WT3 H ATOM 39009 H2 TIP3 2303 -7.885 20.814 -22.715 1.00 0.00 WT3 H ATOM 39010 OH2 TIP3 2304 -6.801 0.110 4.532 1.00 0.00 WT3 O ATOM 39011 H1 TIP3 2304 -29.160 -25.290 9.781 1.00 0.00 WT3 H ATOM 39012 H2 TIP3 2304 21.307 -14.804 -16.567 1.00 0.00 WT3 H ATOM 39013 OH2 TIP3 2306 6.560 -7.189 -0.264 1.00 0.00 WT3 O ATOM 39014 H1 TIP3 2306 -9.623 -32.399 -24.848 1.00 0.00 WT3 H ATOM 39015 H2 TIP3 2306 9.840 -1.013 8.929 1.00 0.00 WT3 H ATOM 39016 OH2 TIP3 2307 0.786 -0.939 -3.537 1.00 0.00 WT3 O ATOM 39017 H1 TIP3 2307 -1.412 3.934 -1.907 1.00 0.00 WT3 H ATOM 39018 H2 TIP3 2307 -7.843 -2.518 -0.683 1.00 0.00 WT3 H ATOM 39019 OH2 TIP3 2309 0.561 -2.386 1.713 1.00 0.00 WT3 O ATOM 39020 H1 TIP3 2309 0.940 -1.796 -2.855 1.00 0.00 WT3 H ATOM 39021 H2 TIP3 2309 3.354 22.123 -4.914 1.00 0.00 WT3 H ATOM 39022 OH2 TIP3 2310 -1.854 2.699 2.604 1.00 0.00 WT3 O ATOM 39023 H1 TIP3 2310 -7.430 -7.593 0.099 1.00 0.00 WT3 H ATOM 39024 H2 TIP3 2310 9.331 27.171 -13.451 1.00 0.00 WT3 H ATOM 39025 OH2 TIP3 2311 3.169 2.015 5.897 1.00 0.00 WT3 O ATOM 39026 H1 TIP3 2311 -6.933 -4.579 7.628 1.00 0.00 WT3 H ATOM 39027 H2 TIP3 2311 7.776 -5.649 -7.907 1.00 0.00 WT3 H ATOM 39028 OH2 TIP3 2313 0.189 -4.104 -7.292 1.00 0.00 WT3 O ATOM 39029 H1 TIP3 2313 -16.789 -13.106 0.634 1.00 0.00 WT3 H ATOM 39030 H2 TIP3 2313 -24.104 12.086 5.882 1.00 0.00 WT3 H ATOM 39031 OH2 TIP3 2314 -1.091 -3.952 -0.683 1.00 0.00 WT3 O ATOM 39032 H1 TIP3 2314 -17.141 -8.194 -1.091 1.00 0.00 WT3 H ATOM 39033 H2 TIP3 2314 1.276 -19.184 -5.738 1.00 0.00 WT3 H ATOM 39034 OH2 TIP3 2315 1.789 -2.954 -5.429 1.00 0.00 WT3 O ATOM 39035 H1 TIP3 2315 16.622 -9.282 6.478 1.00 0.00 WT3 H ATOM 39036 H2 TIP3 2315 1.514 3.487 4.114 1.00 0.00 WT3 H ATOM 39037 OH2 TIP3 2316 -4.403 6.083 4.999 1.00 0.00 WT3 O ATOM 39038 H1 TIP3 2316 -3.740 3.480 -4.687 1.00 0.00 WT3 H ATOM 39039 H2 TIP3 2316 -26.182 -1.208 18.663 1.00 0.00 WT3 H ATOM 39040 OH2 TIP3 2317 -0.337 -4.174 -1.251 1.00 0.00 WT3 O ATOM 39041 H1 TIP3 2317 14.235 -11.115 5.086 1.00 0.00 WT3 H ATOM 39042 H2 TIP3 2317 -11.222 -12.980 -2.401 1.00 0.00 WT3 H ATOM 39043 OH2 TIP3 2318 -5.063 4.624 1.866 1.00 0.00 WT3 O ATOM 39044 H1 TIP3 2318 -12.529 -12.241 -1.071 1.00 0.00 WT3 H ATOM 39045 H2 TIP3 2318 -5.194 8.832 19.034 1.00 0.00 WT3 H ATOM 39046 OH2 TIP3 2319 0.946 -6.897 2.232 1.00 0.00 WT3 O ATOM 39047 H1 TIP3 2319 -10.145 -40.222 11.314 1.00 0.00 WT3 H ATOM 39048 H2 TIP3 2319 15.470 10.074 12.621 1.00 0.00 WT3 H ATOM 39049 OH2 TIP3 2320 0.507 -2.200 1.467 1.00 0.00 WT3 O ATOM 39050 H1 TIP3 2320 -15.212 2.594 3.966 1.00 0.00 WT3 H ATOM 39051 H2 TIP3 2320 10.330 -2.809 -19.663 1.00 0.00 WT3 H ATOM 39052 OH2 TIP3 2321 -3.317 0.492 4.641 1.00 0.00 WT3 O ATOM 39053 H1 TIP3 2321 3.709 -28.162 -11.711 1.00 0.00 WT3 H ATOM 39054 H2 TIP3 2321 -18.112 25.548 10.299 1.00 0.00 WT3 H ATOM 39055 OH2 TIP3 2322 0.803 0.118 13.086 1.00 0.00 WT3 O ATOM 39056 H1 TIP3 2322 -3.105 13.442 6.686 1.00 0.00 WT3 H ATOM 39057 H2 TIP3 2322 -0.088 -19.714 1.608 1.00 0.00 WT3 H ATOM 39058 OH2 TIP3 2324 -0.281 0.759 -5.236 1.00 0.00 WT3 O ATOM 39059 H1 TIP3 2324 -14.777 -10.077 -10.969 1.00 0.00 WT3 H ATOM 39060 H2 TIP3 2324 6.340 -9.880 12.648 1.00 0.00 WT3 H ATOM 39061 OH2 TIP3 2325 7.116 -2.985 -4.175 1.00 0.00 WT3 O ATOM 39062 H1 TIP3 2325 -20.502 -6.430 4.007 1.00 0.00 WT3 H ATOM 39063 H2 TIP3 2325 1.696 0.670 10.590 1.00 0.00 WT3 H ATOM 39064 OH2 TIP3 2326 -4.208 1.249 0.397 1.00 0.00 WT3 O ATOM 39065 H1 TIP3 2326 23.645 6.548 3.598 1.00 0.00 WT3 H ATOM 39066 H2 TIP3 2326 -9.305 -0.314 0.704 1.00 0.00 WT3 H ATOM 39067 OH2 TIP3 2327 1.608 6.725 -1.815 1.00 0.00 WT3 O ATOM 39068 H1 TIP3 2327 1.408 14.039 5.986 1.00 0.00 WT3 H ATOM 39069 H2 TIP3 2327 -25.601 10.123 -2.930 1.00 0.00 WT3 H ATOM 39070 OH2 TIP3 2328 2.009 2.226 -1.845 1.00 0.00 WT3 O ATOM 39071 H1 TIP3 2328 5.789 -22.147 27.376 1.00 0.00 WT3 H ATOM 39072 H2 TIP3 2328 7.390 11.144 -9.015 1.00 0.00 WT3 H ATOM 39073 OH2 TIP3 2329 4.522 -1.256 3.496 1.00 0.00 WT3 O ATOM 39074 H1 TIP3 2329 -11.266 7.396 11.593 1.00 0.00 WT3 H ATOM 39075 H2 TIP3 2329 16.262 16.669 -6.043 1.00 0.00 WT3 H ATOM 39076 OH2 TIP3 2330 1.398 1.126 0.558 1.00 0.00 WT3 O ATOM 39077 H1 TIP3 2330 -8.118 7.169 7.733 1.00 0.00 WT3 H ATOM 39078 H2 TIP3 2330 13.117 -17.497 -5.929 1.00 0.00 WT3 H ATOM 39079 OH2 TIP3 2331 0.972 3.325 -1.492 1.00 0.00 WT3 O ATOM 39080 H1 TIP3 2331 -7.176 11.546 9.276 1.00 0.00 WT3 H ATOM 39081 H2 TIP3 2331 -7.750 5.487 9.426 1.00 0.00 WT3 H ATOM 39082 OH2 TIP3 2332 7.904 -5.732 7.541 1.00 0.00 WT3 O ATOM 39083 H1 TIP3 2332 10.931 -4.523 19.968 1.00 0.00 WT3 H ATOM 39084 H2 TIP3 2332 26.727 4.855 5.064 1.00 0.00 WT3 H ATOM 39085 OH2 TIP3 2333 3.081 6.244 0.168 1.00 0.00 WT3 O ATOM 39086 H1 TIP3 2333 8.015 -11.104 18.161 1.00 0.00 WT3 H ATOM 39087 H2 TIP3 2333 21.742 16.261 3.187 1.00 0.00 WT3 H ATOM 39088 OH2 TIP3 2334 -3.283 -2.071 2.179 1.00 0.00 WT3 O ATOM 39089 H1 TIP3 2334 -2.957 -25.104 6.036 1.00 0.00 WT3 H ATOM 39090 H2 TIP3 2334 8.982 7.970 19.768 1.00 0.00 WT3 H ATOM 39091 OH2 TIP3 2335 -2.061 5.996 -0.894 1.00 0.00 WT3 O ATOM 39092 H1 TIP3 2335 -18.225 2.039 -4.690 1.00 0.00 WT3 H ATOM 39093 H2 TIP3 2335 6.714 -5.773 6.159 1.00 0.00 WT3 H ATOM 39094 OH2 TIP3 2339 -0.490 -0.114 -4.649 1.00 0.00 WT3 O ATOM 39095 H1 TIP3 2339 0.226 0.189 -16.292 1.00 0.00 WT3 H ATOM 39096 H2 TIP3 2339 -1.815 -3.860 -10.178 1.00 0.00 WT3 H ATOM 39097 OH2 TIP3 2340 -1.196 -2.043 -4.930 1.00 0.00 WT3 O ATOM 39098 H1 TIP3 2340 -3.953 -2.164 -15.929 1.00 0.00 WT3 H ATOM 39099 H2 TIP3 2340 6.101 2.416 -6.086 1.00 0.00 WT3 H ATOM 39100 OH2 TIP3 2341 -0.530 0.127 0.212 1.00 0.00 WT3 O ATOM 39101 H1 TIP3 2341 13.176 -25.254 4.569 1.00 0.00 WT3 H ATOM 39102 H2 TIP3 2341 -1.830 2.228 -0.400 1.00 0.00 WT3 H ATOM 39103 OH2 TIP3 2342 -4.977 -0.576 -0.543 1.00 0.00 WT3 O ATOM 39104 H1 TIP3 2342 -3.619 -15.868 -2.793 1.00 0.00 WT3 H ATOM 39105 H2 TIP3 2342 -6.387 4.071 17.445 1.00 0.00 WT3 H ATOM 39106 OH2 TIP3 2345 4.047 -0.598 -5.268 1.00 0.00 WT3 O ATOM 39107 H1 TIP3 2345 -7.931 2.713 -7.382 1.00 0.00 WT3 H ATOM 39108 H2 TIP3 2345 -10.517 -22.115 -10.545 1.00 0.00 WT3 H ATOM 39109 OH2 TIP3 2346 -4.121 3.702 4.535 1.00 0.00 WT3 O ATOM 39110 H1 TIP3 2346 24.994 -4.244 -18.917 1.00 0.00 WT3 H ATOM 39111 H2 TIP3 2346 1.788 3.274 -1.126 1.00 0.00 WT3 H ATOM 39112 OH2 TIP3 2347 2.653 1.384 -7.274 1.00 0.00 WT3 O ATOM 39113 H1 TIP3 2347 17.401 -1.664 -3.026 1.00 0.00 WT3 H ATOM 39114 H2 TIP3 2347 -6.269 1.364 -19.271 1.00 0.00 WT3 H ATOM 39115 OH2 TIP3 2348 0.243 -0.098 0.828 1.00 0.00 WT3 O ATOM 39116 H1 TIP3 2348 6.834 12.292 -3.666 1.00 0.00 WT3 H ATOM 39117 H2 TIP3 2348 -12.781 1.141 3.411 1.00 0.00 WT3 H ATOM 39118 OH2 TIP3 2349 -1.844 7.367 -1.037 1.00 0.00 WT3 O ATOM 39119 H1 TIP3 2349 -9.541 5.230 -1.058 1.00 0.00 WT3 H ATOM 39120 H2 TIP3 2349 -8.904 5.922 0.205 1.00 0.00 WT3 H ATOM 39121 OH2 TIP3 2350 0.546 -4.940 -1.166 1.00 0.00 WT3 O ATOM 39122 H1 TIP3 2350 -14.967 -14.214 7.973 1.00 0.00 WT3 H ATOM 39123 H2 TIP3 2350 -2.816 -16.881 8.867 1.00 0.00 WT3 H ATOM 39124 OH2 TIP3 2351 -2.299 -6.274 4.518 1.00 0.00 WT3 O ATOM 39125 H1 TIP3 2351 -15.919 -12.965 19.465 1.00 0.00 WT3 H ATOM 39126 H2 TIP3 2351 10.247 -8.495 6.653 1.00 0.00 WT3 H ATOM 39127 OH2 TIP3 2352 4.687 -5.064 3.443 1.00 0.00 WT3 O ATOM 39128 H1 TIP3 2352 2.049 -0.984 -4.675 1.00 0.00 WT3 H ATOM 39129 H2 TIP3 2352 15.688 -20.039 12.541 1.00 0.00 WT3 H ATOM 39130 OH2 TIP3 2353 -4.152 2.313 -4.929 1.00 0.00 WT3 O ATOM 39131 H1 TIP3 2353 -18.773 -6.011 13.653 1.00 0.00 WT3 H ATOM 39132 H2 TIP3 2353 -16.447 16.234 0.568 1.00 0.00 WT3 H ATOM 39133 OH2 TIP3 2355 -7.398 -1.890 1.809 1.00 0.00 WT3 O ATOM 39134 H1 TIP3 2355 10.184 3.975 14.804 1.00 0.00 WT3 H ATOM 39135 H2 TIP3 2355 -13.477 17.651 -9.144 1.00 0.00 WT3 H ATOM 39136 OH2 TIP3 2356 -4.733 1.969 -7.232 1.00 0.00 WT3 O ATOM 39137 H1 TIP3 2356 -17.726 -5.144 -27.246 1.00 0.00 WT3 H ATOM 39138 H2 TIP3 2356 4.876 6.066 3.515 1.00 0.00 WT3 H ATOM 39139 OH2 TIP3 2357 -1.005 5.035 -3.861 1.00 0.00 WT3 O ATOM 39140 H1 TIP3 2357 -1.947 15.182 -1.727 1.00 0.00 WT3 H ATOM 39141 H2 TIP3 2357 -1.071 30.235 5.235 1.00 0.00 WT3 H ATOM 39142 OH2 TIP3 2358 5.727 -3.198 7.293 1.00 0.00 WT3 O ATOM 39143 H1 TIP3 2358 7.902 -4.725 1.416 1.00 0.00 WT3 H ATOM 39144 H2 TIP3 2358 1.252 5.683 5.257 1.00 0.00 WT3 H ATOM 39145 OH2 TIP3 2359 0.253 -0.870 -3.025 1.00 0.00 WT3 O ATOM 39146 H1 TIP3 2359 -5.632 -8.401 2.027 1.00 0.00 WT3 H ATOM 39147 H2 TIP3 2359 -10.034 -17.516 -5.960 1.00 0.00 WT3 H ATOM 39148 OH2 TIP3 2360 -2.375 -4.458 5.826 1.00 0.00 WT3 O ATOM 39149 H1 TIP3 2360 -5.382 6.984 7.441 1.00 0.00 WT3 H ATOM 39150 H2 TIP3 2360 -3.407 0.704 -4.014 1.00 0.00 WT3 H ATOM 39151 OH2 TIP3 2361 0.178 -4.830 -4.271 1.00 0.00 WT3 O ATOM 39152 H1 TIP3 2361 -7.753 -10.693 11.646 1.00 0.00 WT3 H ATOM 39153 H2 TIP3 2361 -11.951 -0.680 2.749 1.00 0.00 WT3 H ATOM 39154 OH2 TIP3 2362 1.951 -0.775 -0.005 1.00 0.00 WT3 O ATOM 39155 H1 TIP3 2362 1.438 7.736 4.153 1.00 0.00 WT3 H ATOM 39156 H2 TIP3 2362 -3.860 -5.347 -5.383 1.00 0.00 WT3 H ATOM 39157 OH2 TIP3 2363 3.668 -2.779 -2.026 1.00 0.00 WT3 O ATOM 39158 H1 TIP3 2363 -4.194 -0.355 -4.041 1.00 0.00 WT3 H ATOM 39159 H2 TIP3 2363 3.197 -8.235 10.969 1.00 0.00 WT3 H ATOM 39160 OH2 TIP3 2365 2.123 0.971 -4.734 1.00 0.00 WT3 O ATOM 39161 H1 TIP3 2365 8.077 -4.808 -11.573 1.00 0.00 WT3 H ATOM 39162 H2 TIP3 2365 -7.377 26.390 -8.614 1.00 0.00 WT3 H ATOM 39163 OH2 TIP3 2366 1.768 5.450 -3.356 1.00 0.00 WT3 O ATOM 39164 H1 TIP3 2366 4.629 -5.656 -19.628 1.00 0.00 WT3 H ATOM 39165 H2 TIP3 2366 1.701 -5.597 -8.293 1.00 0.00 WT3 H ATOM 39166 OH2 TIP3 2367 4.695 3.922 -7.057 1.00 0.00 WT3 O ATOM 39167 H1 TIP3 2367 -12.845 2.809 1.767 1.00 0.00 WT3 H ATOM 39168 H2 TIP3 2367 21.561 1.675 -12.722 1.00 0.00 WT3 H ATOM 39169 OH2 TIP3 2368 -6.335 2.109 1.778 1.00 0.00 WT3 O ATOM 39170 H1 TIP3 2368 -0.538 0.956 -8.847 1.00 0.00 WT3 H ATOM 39171 H2 TIP3 2368 -11.188 2.988 21.294 1.00 0.00 WT3 H ATOM 39172 OH2 TIP3 2374 -2.444 1.750 3.469 1.00 0.00 WT3 O ATOM 39173 H1 TIP3 2374 14.050 -4.408 1.014 1.00 0.00 WT3 H ATOM 39174 H2 TIP3 2374 -0.598 3.689 20.612 1.00 0.00 WT3 H ATOM 39175 OH2 TIP3 2375 4.858 0.096 3.249 1.00 0.00 WT3 O ATOM 39176 H1 TIP3 2375 5.289 -10.390 -18.232 1.00 0.00 WT3 H ATOM 39177 H2 TIP3 2375 16.724 -18.670 6.626 1.00 0.00 WT3 H ATOM 39178 OH2 TIP3 2376 3.451 -1.408 1.073 1.00 0.00 WT3 O ATOM 39179 H1 TIP3 2376 -4.804 -7.128 9.254 1.00 0.00 WT3 H ATOM 39180 H2 TIP3 2376 14.621 -8.681 10.685 1.00 0.00 WT3 H ATOM 39181 OH2 TIP3 2377 0.880 -2.033 0.019 1.00 0.00 WT3 O ATOM 39182 H1 TIP3 2377 -15.120 5.460 -4.056 1.00 0.00 WT3 H ATOM 39183 H2 TIP3 2377 3.127 -10.619 -5.311 1.00 0.00 WT3 H ATOM 39184 OH2 TIP3 2379 -2.894 -3.904 -3.509 1.00 0.00 WT3 O ATOM 39185 H1 TIP3 2379 11.983 -5.220 13.939 1.00 0.00 WT3 H ATOM 39186 H2 TIP3 2379 -1.086 -21.518 -10.639 1.00 0.00 WT3 H ATOM 39187 OH2 TIP3 2380 2.203 1.519 0.695 1.00 0.00 WT3 O ATOM 39188 H1 TIP3 2380 2.688 -5.181 -15.280 1.00 0.00 WT3 H ATOM 39189 H2 TIP3 2380 19.410 -7.568 -2.356 1.00 0.00 WT3 H ATOM 39190 OH2 TIP3 2381 7.584 -1.389 1.042 1.00 0.00 WT3 O ATOM 39191 H1 TIP3 2381 9.684 -3.145 13.861 1.00 0.00 WT3 H ATOM 39192 H2 TIP3 2381 12.935 19.891 20.481 1.00 0.00 WT3 H ATOM 39193 OH2 TIP3 2384 6.648 -1.264 5.930 1.00 0.00 WT3 O ATOM 39194 H1 TIP3 2384 5.443 -11.986 -27.797 1.00 0.00 WT3 H ATOM 39195 H2 TIP3 2384 -34.171 1.568 18.482 1.00 0.00 WT3 H ATOM 39196 OH2 TIP3 2388 0.407 6.489 2.676 1.00 0.00 WT3 O ATOM 39197 H1 TIP3 2388 -10.918 4.180 7.611 1.00 0.00 WT3 H ATOM 39198 H2 TIP3 2388 23.181 4.431 -5.867 1.00 0.00 WT3 H ATOM 39199 OH2 TIP3 2390 -1.684 -0.685 6.606 1.00 0.00 WT3 O ATOM 39200 H1 TIP3 2390 14.053 20.883 -6.449 1.00 0.00 WT3 H ATOM 39201 H2 TIP3 2390 11.999 12.079 -8.836 1.00 0.00 WT3 H ATOM 39202 OH2 TIP3 2393 -3.398 -0.211 -0.773 1.00 0.00 WT3 O ATOM 39203 H1 TIP3 2393 4.980 4.185 -23.932 1.00 0.00 WT3 H ATOM 39204 H2 TIP3 2393 11.086 -0.775 8.135 1.00 0.00 WT3 H ATOM 39205 OH2 TIP3 2394 6.170 3.497 -1.954 1.00 0.00 WT3 O ATOM 39206 H1 TIP3 2394 -1.233 -4.767 15.722 1.00 0.00 WT3 H ATOM 39207 H2 TIP3 2394 8.887 8.799 -14.692 1.00 0.00 WT3 H ATOM 39208 OH2 TIP3 2396 -3.566 6.330 0.674 1.00 0.00 WT3 O ATOM 39209 H1 TIP3 2396 -3.226 -19.277 -22.692 1.00 0.00 WT3 H ATOM 39210 H2 TIP3 2396 -4.483 -19.170 -5.019 1.00 0.00 WT3 H ATOM 39211 OH2 TIP3 2397 -2.148 6.086 -4.273 1.00 0.00 WT3 O ATOM 39212 H1 TIP3 2397 6.944 9.958 -5.777 1.00 0.00 WT3 H ATOM 39213 H2 TIP3 2397 -8.802 1.427 -7.598 1.00 0.00 WT3 H ATOM 39214 OH2 TIP3 2398 4.491 -1.745 -1.480 1.00 0.00 WT3 O ATOM 39215 H1 TIP3 2398 -7.902 10.319 8.701 1.00 0.00 WT3 H ATOM 39216 H2 TIP3 2398 -11.745 11.191 7.437 1.00 0.00 WT3 H ATOM 39217 OH2 TIP3 2402 -1.634 4.225 1.265 1.00 0.00 WT3 O ATOM 39218 H1 TIP3 2402 -3.777 3.090 0.636 1.00 0.00 WT3 H ATOM 39219 H2 TIP3 2402 22.754 16.850 1.335 1.00 0.00 WT3 H ATOM 39220 OH2 TIP3 2405 7.908 0.313 3.114 1.00 0.00 WT3 O ATOM 39221 H1 TIP3 2405 21.982 15.560 -18.395 1.00 0.00 WT3 H ATOM 39222 H2 TIP3 2405 3.853 -22.314 -13.404 1.00 0.00 WT3 H ATOM 39223 OH2 TIP3 2406 -3.024 5.288 -1.917 1.00 0.00 WT3 O ATOM 39224 H1 TIP3 2406 -0.206 0.508 4.556 1.00 0.00 WT3 H ATOM 39225 H2 TIP3 2406 29.225 31.958 -1.393 1.00 0.00 WT3 H ATOM 39226 OH2 TIP3 2407 -0.187 -4.823 -0.924 1.00 0.00 WT3 O ATOM 39227 H1 TIP3 2407 2.491 4.163 -7.302 1.00 0.00 WT3 H ATOM 39228 H2 TIP3 2407 22.785 17.527 -8.879 1.00 0.00 WT3 H ATOM 39229 OH2 TIP3 2408 -3.821 -4.261 -1.289 1.00 0.00 WT3 O ATOM 39230 H1 TIP3 2408 8.193 -7.015 22.646 1.00 0.00 WT3 H ATOM 39231 H2 TIP3 2408 14.517 20.642 -0.123 1.00 0.00 WT3 H ATOM 39232 OH2 TIP3 2409 2.361 -1.824 3.235 1.00 0.00 WT3 O ATOM 39233 H1 TIP3 2409 -5.518 4.406 6.830 1.00 0.00 WT3 H ATOM 39234 H2 TIP3 2409 1.994 1.565 0.815 1.00 0.00 WT3 H ATOM 39235 OH2 TIP3 2411 1.703 1.006 -4.125 1.00 0.00 WT3 O ATOM 39236 H1 TIP3 2411 -3.817 -17.318 5.006 1.00 0.00 WT3 H ATOM 39237 H2 TIP3 2411 1.215 -24.548 15.857 1.00 0.00 WT3 H ATOM 39238 OH2 TIP3 2412 -1.495 -4.160 2.973 1.00 0.00 WT3 O ATOM 39239 H1 TIP3 2412 11.482 -7.526 3.341 1.00 0.00 WT3 H ATOM 39240 H2 TIP3 2412 18.746 -6.051 -6.975 1.00 0.00 WT3 H ATOM 39241 OH2 TIP3 2413 3.860 4.806 1.390 1.00 0.00 WT3 O ATOM 39242 H1 TIP3 2413 -0.646 6.696 2.336 1.00 0.00 WT3 H ATOM 39243 H2 TIP3 2413 -3.200 5.457 -0.757 1.00 0.00 WT3 H ATOM 39244 OH2 TIP3 2414 -2.523 -4.834 0.514 1.00 0.00 WT3 O ATOM 39245 H1 TIP3 2414 -1.207 -8.473 0.689 1.00 0.00 WT3 H ATOM 39246 H2 TIP3 2414 3.647 -1.290 9.228 1.00 0.00 WT3 H ATOM 39247 OH2 TIP3 2415 -0.262 -1.483 -3.566 1.00 0.00 WT3 O ATOM 39248 H1 TIP3 2415 5.788 -9.261 26.063 1.00 0.00 WT3 H ATOM 39249 H2 TIP3 2415 24.546 -5.273 -24.480 1.00 0.00 WT3 H ATOM 39250 OH2 TIP3 2418 -7.011 -0.136 2.497 1.00 0.00 WT3 O ATOM 39251 H1 TIP3 2418 4.713 -9.759 -5.156 1.00 0.00 WT3 H ATOM 39252 H2 TIP3 2418 -3.824 -20.158 -0.209 1.00 0.00 WT3 H ATOM 39253 OH2 TIP3 2426 -2.096 -0.616 6.612 1.00 0.00 WT3 O ATOM 39254 H1 TIP3 2426 -6.651 5.815 -2.986 1.00 0.00 WT3 H ATOM 39255 H2 TIP3 2426 -1.145 -3.906 11.412 1.00 0.00 WT3 H ATOM 39256 OH2 TIP3 2427 6.345 4.461 -2.143 1.00 0.00 WT3 O ATOM 39257 H1 TIP3 2427 -7.180 -1.794 -13.106 1.00 0.00 WT3 H ATOM 39258 H2 TIP3 2427 19.760 15.149 13.472 1.00 0.00 WT3 H ATOM 39259 OH2 TIP3 2432 -1.527 1.239 6.351 1.00 0.00 WT3 O ATOM 39260 H1 TIP3 2432 0.151 2.476 -1.087 1.00 0.00 WT3 H ATOM 39261 H2 TIP3 2432 12.360 1.103 2.277 1.00 0.00 WT3 H ATOM 39262 OH2 TIP3 2434 6.038 4.060 2.877 1.00 0.00 WT3 O ATOM 39263 H1 TIP3 2434 4.544 11.696 3.326 1.00 0.00 WT3 H ATOM 39264 H2 TIP3 2434 8.841 -9.207 -0.475 1.00 0.00 WT3 H ATOM 39265 OH2 TIP3 2435 -4.780 -3.460 1.781 1.00 0.00 WT3 O ATOM 39266 H1 TIP3 2435 -5.561 25.602 -15.281 1.00 0.00 WT3 H ATOM 39267 H2 TIP3 2435 7.022 -10.546 -30.722 1.00 0.00 WT3 H ATOM 39268 OH2 TIP3 2436 1.909 4.547 5.756 1.00 0.00 WT3 O ATOM 39269 H1 TIP3 2436 4.499 6.710 1.662 1.00 0.00 WT3 H ATOM 39270 H2 TIP3 2436 -6.107 6.589 6.346 1.00 0.00 WT3 H ATOM 39271 OH2 TIP3 2444 0.897 -6.154 7.091 1.00 0.00 WT3 O ATOM 39272 H1 TIP3 2444 -2.396 10.258 15.180 1.00 0.00 WT3 H ATOM 39273 H2 TIP3 2444 19.643 -12.203 8.539 1.00 0.00 WT3 H ATOM 39274 OH2 TIP3 2445 9.465 3.888 -1.045 1.00 0.00 WT3 O ATOM 39275 H1 TIP3 2445 13.156 -35.956 -10.655 1.00 0.00 WT3 H ATOM 39276 H2 TIP3 2445 -2.543 -7.770 -27.055 1.00 0.00 WT3 H ATOM 39277 OH2 TIP3 2449 0.352 7.169 1.969 1.00 0.00 WT3 O ATOM 39278 H1 TIP3 2449 26.249 -6.325 11.557 1.00 0.00 WT3 H ATOM 39279 H2 TIP3 2449 43.759 8.085 -25.226 1.00 0.00 WT3 H ATOM 39280 OH2 TIP3 2451 4.839 4.049 -3.627 1.00 0.00 WT3 O ATOM 39281 H1 TIP3 2451 -8.142 13.557 -11.537 1.00 0.00 WT3 H ATOM 39282 H2 TIP3 2451 4.181 -25.633 -13.238 1.00 0.00 WT3 H ATOM 39283 OH2 TIP3 2453 -0.956 -1.415 -1.577 1.00 0.00 WT3 O ATOM 39284 H1 TIP3 2453 5.085 -12.578 -11.734 1.00 0.00 WT3 H ATOM 39285 H2 TIP3 2453 -12.527 -4.757 -7.093 1.00 0.00 WT3 H ATOM 39286 OH2 TIP3 2457 -1.983 -4.422 7.444 1.00 0.00 WT3 O ATOM 39287 H1 TIP3 2457 -3.789 3.436 2.064 1.00 0.00 WT3 H ATOM 39288 H2 TIP3 2457 -0.409 19.596 9.151 1.00 0.00 WT3 H ATOM 39289 OH2 TIP3 2464 -1.670 -2.346 -2.547 1.00 0.00 WT3 O ATOM 39290 H1 TIP3 2464 4.571 -3.436 -33.442 1.00 0.00 WT3 H ATOM 39291 H2 TIP3 2464 21.422 -22.664 -14.475 1.00 0.00 WT3 H ATOM 39292 OH2 TIP3 2469 1.301 3.741 3.372 1.00 0.00 WT3 O ATOM 39293 H1 TIP3 2469 2.264 -3.794 8.597 1.00 0.00 WT3 H ATOM 39294 H2 TIP3 2469 1.620 1.700 -6.419 1.00 0.00 WT3 H ATOM 39295 OH2 TIP3 2473 3.401 -6.492 10.909 1.00 0.00 WT3 O ATOM 39296 H1 TIP3 2473 11.006 1.716 21.300 1.00 0.00 WT3 H ATOM 39297 H2 TIP3 2473 2.366 3.387 -1.484 1.00 0.00 WT3 H ATOM 39298 OH2 TIP3 2475 0.839 1.625 -0.047 1.00 0.00 WT3 O ATOM 39299 H1 TIP3 2475 18.233 25.726 23.340 1.00 0.00 WT3 H ATOM 39300 H2 TIP3 2475 9.747 12.626 11.379 1.00 0.00 WT3 H ATOM 39301 OH2 TIP3 2476 4.820 2.733 -3.603 1.00 0.00 WT3 O ATOM 39302 H1 TIP3 2476 11.008 3.028 -7.283 1.00 0.00 WT3 H ATOM 39303 H2 TIP3 2476 10.249 -0.485 -8.066 1.00 0.00 WT3 H ATOM 39304 OH2 TIP3 2508 4.393 3.628 1.757 1.00 0.00 WT3 O ATOM 39305 H1 TIP3 2508 -9.742 -3.896 11.665 1.00 0.00 WT3 H ATOM 39306 H2 TIP3 2508 -1.269 18.878 5.428 1.00 0.00 WT3 H ATOM 39307 OH2 TIP3 2513 -0.790 -1.951 -4.080 1.00 0.00 WT3 O ATOM 39308 H1 TIP3 2513 -13.734 2.505 4.299 1.00 0.00 WT3 H ATOM 39309 H2 TIP3 2513 0.027 -10.521 -19.386 1.00 0.00 WT3 H ATOM 39310 OH2 TIP3 2561 -2.637 -5.874 -1.159 1.00 0.00 WT3 O ATOM 39311 H1 TIP3 2561 -7.976 -12.510 0.335 1.00 0.00 WT3 H ATOM 39312 H2 TIP3 2561 0.694 -5.438 6.996 1.00 0.00 WT3 H ATOM 39313 OH2 TIP3 2587 5.547 4.622 0.783 1.00 0.00 WT3 O ATOM 39314 H1 TIP3 2587 14.456 3.070 -14.444 1.00 0.00 WT3 H ATOM 39315 H2 TIP3 2587 3.878 -1.754 13.542 1.00 0.00 WT3 H ATOM 39316 OH2 TIP3 2591 3.058 0.302 4.728 1.00 0.00 WT3 O ATOM 39317 H1 TIP3 2591 -0.440 9.017 -1.557 1.00 0.00 WT3 H ATOM 39318 H2 TIP3 2591 3.441 -2.181 -4.940 1.00 0.00 WT3 H ATOM 39319 OH2 TIP3 2606 0.012 0.985 3.854 1.00 0.00 WT3 O ATOM 39320 H1 TIP3 2606 -12.880 11.594 6.600 1.00 0.00 WT3 H ATOM 39321 H2 TIP3 2606 -11.360 19.897 5.143 1.00 0.00 WT3 H ATOM 39322 OH2 TIP3 2607 -4.927 -7.146 0.380 1.00 0.00 WT3 O ATOM 39323 H1 TIP3 2607 -4.323 -11.052 0.062 1.00 0.00 WT3 H ATOM 39324 H2 TIP3 2607 0.101 -6.902 10.696 1.00 0.00 WT3 H ATOM 39325 OH2 TIP3 2608 -1.203 -3.124 -1.712 1.00 0.00 WT3 O ATOM 39326 H1 TIP3 2608 -25.154 5.449 7.324 1.00 0.00 WT3 H ATOM 39327 H2 TIP3 2608 -13.271 -5.329 4.719 1.00 0.00 WT3 H ATOM 39328 OH2 TIP3 2610 -0.127 1.019 3.845 1.00 0.00 WT3 O ATOM 39329 H1 TIP3 2610 -3.401 -15.217 4.671 1.00 0.00 WT3 H ATOM 39330 H2 TIP3 2610 16.861 1.508 1.453 1.00 0.00 WT3 H ATOM 39331 OH2 TIP3 2616 5.208 -6.991 -3.069 1.00 0.00 WT3 O ATOM 39332 H1 TIP3 2616 5.627 -3.029 -5.282 1.00 0.00 WT3 H ATOM 39333 H2 TIP3 2616 6.106 3.564 -9.085 1.00 0.00 WT3 H ATOM 39334 OH2 TIP3 2617 10.171 0.136 2.036 1.00 0.00 WT3 O ATOM 39335 H1 TIP3 2617 8.674 -3.914 -7.816 1.00 0.00 WT3 H ATOM 39336 H2 TIP3 2617 10.793 0.594 4.720 1.00 0.00 WT3 H ATOM 39337 OH2 TIP3 2624 5.343 0.608 -3.622 1.00 0.00 WT3 O ATOM 39338 H1 TIP3 2624 11.057 4.971 -20.533 1.00 0.00 WT3 H ATOM 39339 H2 TIP3 2624 -1.118 -8.700 -7.270 1.00 0.00 WT3 H ATOM 39340 OH2 TIP3 2626 -1.644 -2.251 6.259 1.00 0.00 WT3 O ATOM 39341 H1 TIP3 2626 5.655 -2.033 -17.842 1.00 0.00 WT3 H ATOM 39342 H2 TIP3 2626 -19.057 -23.450 9.615 1.00 0.00 WT3 H ATOM 39343 OH2 TIP3 2628 -4.103 -1.123 -1.827 1.00 0.00 WT3 O ATOM 39344 H1 TIP3 2628 -16.754 4.544 -5.693 1.00 0.00 WT3 H ATOM 39345 H2 TIP3 2628 -17.305 5.265 -6.948 1.00 0.00 WT3 H ATOM 39346 OH2 TIP3 2629 -1.378 -7.364 7.033 1.00 0.00 WT3 O ATOM 39347 H1 TIP3 2629 7.245 -10.865 6.041 1.00 0.00 WT3 H ATOM 39348 H2 TIP3 2629 -41.531 -53.677 -18.122 1.00 0.00 WT3 H ATOM 39349 OH2 TIP3 2630 -2.671 -1.459 -7.619 1.00 0.00 WT3 O ATOM 39350 H1 TIP3 2630 -12.700 11.290 -21.104 1.00 0.00 WT3 H ATOM 39351 H2 TIP3 2630 14.890 -17.149 13.969 1.00 0.00 WT3 H ATOM 39352 OH2 TIP3 2632 0.214 6.259 4.361 1.00 0.00 WT3 O ATOM 39353 H1 TIP3 2632 27.903 3.860 3.562 1.00 0.00 WT3 H ATOM 39354 H2 TIP3 2632 -8.054 17.040 -9.850 1.00 0.00 WT3 H ATOM 39355 OH2 TIP3 2633 5.553 -2.172 0.276 1.00 0.00 WT3 O ATOM 39356 H1 TIP3 2633 -2.220 -12.921 -11.803 1.00 0.00 WT3 H ATOM 39357 H2 TIP3 2633 13.820 -0.427 6.505 1.00 0.00 WT3 H ATOM 39358 OH2 TIP3 2634 -3.383 0.932 -1.219 1.00 0.00 WT3 O ATOM 39359 H1 TIP3 2634 13.281 18.060 6.188 1.00 0.00 WT3 H ATOM 39360 H2 TIP3 2634 7.647 7.394 -1.612 1.00 0.00 WT3 H ATOM 39361 OH2 TIP3 2638 9.298 3.463 0.480 1.00 0.00 WT3 O ATOM 39362 H1 TIP3 2638 4.218 4.582 -1.826 1.00 0.00 WT3 H ATOM 39363 H2 TIP3 2638 7.819 7.026 9.071 1.00 0.00 WT3 H ATOM 39364 OH2 TIP3 2644 2.195 1.389 -1.502 1.00 0.00 WT3 O ATOM 39365 H1 TIP3 2644 23.815 -4.725 -24.461 1.00 0.00 WT3 H ATOM 39366 H2 TIP3 2644 -2.417 2.001 -17.916 1.00 0.00 WT3 H ATOM 39367 OH2 TIP3 2646 -1.571 1.650 0.985 1.00 0.00 WT3 O ATOM 39368 H1 TIP3 2646 -4.051 -2.569 -5.500 1.00 0.00 WT3 H ATOM 39369 H2 TIP3 2646 -4.886 -3.008 1.611 1.00 0.00 WT3 H ATOM 39370 OH2 TIP3 2649 5.745 7.466 5.768 1.00 0.00 WT3 O ATOM 39371 H1 TIP3 2649 -20.034 -8.810 -15.828 1.00 0.00 WT3 H ATOM 39372 H2 TIP3 2649 -0.084 12.101 16.051 1.00 0.00 WT3 H ATOM 39373 OH2 TIP3 2650 -3.390 -5.195 0.130 1.00 0.00 WT3 O ATOM 39374 H1 TIP3 2650 7.322 19.275 -7.883 1.00 0.00 WT3 H ATOM 39375 H2 TIP3 2650 0.793 -6.730 9.832 1.00 0.00 WT3 H ATOM 39376 OH2 TIP3 2652 -0.346 0.464 -3.844 1.00 0.00 WT3 O ATOM 39377 H1 TIP3 2652 14.174 6.290 10.084 1.00 0.00 WT3 H ATOM 39378 H2 TIP3 2652 -12.973 -1.916 -1.810 1.00 0.00 WT3 H ATOM 39379 OH2 TIP3 2654 4.160 -3.426 -4.111 1.00 0.00 WT3 O ATOM 39380 H1 TIP3 2654 15.461 -6.774 -22.506 1.00 0.00 WT3 H ATOM 39381 H2 TIP3 2654 16.206 -4.304 17.533 1.00 0.00 WT3 H ATOM 39382 OH2 TIP3 2656 -4.035 -5.265 4.783 1.00 0.00 WT3 O ATOM 39383 H1 TIP3 2656 -14.550 -3.995 9.848 1.00 0.00 WT3 H ATOM 39384 H2 TIP3 2656 -3.739 -16.056 2.816 1.00 0.00 WT3 H ATOM 39385 OH2 TIP3 2657 4.944 -3.870 -0.491 1.00 0.00 WT3 O ATOM 39386 H1 TIP3 2657 11.094 6.828 2.922 1.00 0.00 WT3 H ATOM 39387 H2 TIP3 2657 -5.355 -19.198 16.298 1.00 0.00 WT3 H ATOM 39388 OH2 TIP3 2659 5.647 -1.197 2.117 1.00 0.00 WT3 O ATOM 39389 H1 TIP3 2659 12.073 -8.782 24.806 1.00 0.00 WT3 H ATOM 39390 H2 TIP3 2659 7.252 -3.471 8.687 1.00 0.00 WT3 H ATOM 39391 OH2 TIP3 2661 8.196 -6.800 -1.974 1.00 0.00 WT3 O ATOM 39392 H1 TIP3 2661 14.178 9.105 -6.755 1.00 0.00 WT3 H ATOM 39393 H2 TIP3 2661 -4.148 15.763 16.294 1.00 0.00 WT3 H ATOM 39394 OH2 TIP3 2665 -3.033 -2.400 -1.683 1.00 0.00 WT3 O ATOM 39395 H1 TIP3 2665 -8.926 23.511 -16.147 1.00 0.00 WT3 H ATOM 39396 H2 TIP3 2665 -20.667 -24.567 -13.822 1.00 0.00 WT3 H ATOM 39397 OH2 TIP3 2667 -3.147 -0.938 4.647 1.00 0.00 WT3 O ATOM 39398 H1 TIP3 2667 15.440 6.844 3.727 1.00 0.00 WT3 H ATOM 39399 H2 TIP3 2667 27.216 22.999 9.949 1.00 0.00 WT3 H ATOM 39400 OH2 TIP3 2669 -0.554 3.974 0.432 1.00 0.00 WT3 O ATOM 39401 H1 TIP3 2669 16.498 -3.551 1.584 1.00 0.00 WT3 H ATOM 39402 H2 TIP3 2669 -14.388 3.443 -7.633 1.00 0.00 WT3 H ATOM 39403 OH2 TIP3 2670 2.408 -1.894 -1.547 1.00 0.00 WT3 O ATOM 39404 H1 TIP3 2670 20.942 -2.965 -3.343 1.00 0.00 WT3 H ATOM 39405 H2 TIP3 2670 24.037 -14.154 -21.321 1.00 0.00 WT3 H ATOM 39406 OH2 TIP3 2672 -2.637 1.218 -1.898 1.00 0.00 WT3 O ATOM 39407 H1 TIP3 2672 -5.234 24.473 4.110 1.00 0.00 WT3 H ATOM 39408 H2 TIP3 2672 -3.404 6.756 -0.400 1.00 0.00 WT3 H ATOM 39409 OH2 TIP3 2673 2.488 -5.951 1.272 1.00 0.00 WT3 O ATOM 39410 H1 TIP3 2673 3.305 -2.143 10.449 1.00 0.00 WT3 H ATOM 39411 H2 TIP3 2673 7.719 -25.966 -12.938 1.00 0.00 WT3 H ATOM 39412 OH2 TIP3 2675 1.018 -6.451 -7.315 1.00 0.00 WT3 O ATOM 39413 H1 TIP3 2675 -30.175 -12.716 -10.383 1.00 0.00 WT3 H ATOM 39414 H2 TIP3 2675 12.210 14.532 -10.983 1.00 0.00 WT3 H ATOM 39415 OH2 TIP3 2676 4.080 -6.324 3.084 1.00 0.00 WT3 O ATOM 39416 H1 TIP3 2676 3.428 -13.919 -17.956 1.00 0.00 WT3 H ATOM 39417 H2 TIP3 2676 -13.430 -11.580 11.147 1.00 0.00 WT3 H ATOM 39418 OH2 TIP3 2677 -3.871 -2.415 -5.545 1.00 0.00 WT3 O ATOM 39419 H1 TIP3 2677 -6.880 0.969 -4.904 1.00 0.00 WT3 H ATOM 39420 H2 TIP3 2677 -13.950 1.286 -9.597 1.00 0.00 WT3 H ATOM 39421 OH2 TIP3 2678 -3.324 -3.761 -2.656 1.00 0.00 WT3 O ATOM 39422 H1 TIP3 2678 -1.271 -3.317 10.955 1.00 0.00 WT3 H ATOM 39423 H2 TIP3 2678 -0.941 -4.514 0.939 1.00 0.00 WT3 H ATOM 39424 OH2 TIP3 2680 -1.903 -5.295 0.195 1.00 0.00 WT3 O ATOM 39425 H1 TIP3 2680 -11.637 -24.576 -2.326 1.00 0.00 WT3 H ATOM 39426 H2 TIP3 2680 11.447 -4.905 -3.451 1.00 0.00 WT3 H ATOM 39427 OH2 TIP3 2681 -8.636 3.478 -3.292 1.00 0.00 WT3 O ATOM 39428 H1 TIP3 2681 5.447 3.941 -14.339 1.00 0.00 WT3 H ATOM 39429 H2 TIP3 2681 15.484 20.495 -21.576 1.00 0.00 WT3 H ATOM 39430 OH2 TIP3 2682 -4.988 1.289 1.179 1.00 0.00 WT3 O ATOM 39431 H1 TIP3 2682 0.584 -4.953 -14.337 1.00 0.00 WT3 H ATOM 39432 H2 TIP3 2682 3.025 13.981 -4.948 1.00 0.00 WT3 H ATOM 39433 OH2 TIP3 2684 -2.221 -0.896 3.962 1.00 0.00 WT3 O ATOM 39434 H1 TIP3 2684 -13.439 3.722 18.817 1.00 0.00 WT3 H ATOM 39435 H2 TIP3 2684 13.742 10.813 -31.249 1.00 0.00 WT3 H ATOM 39436 OH2 TIP3 2685 -5.802 -0.565 -4.882 1.00 0.00 WT3 O ATOM 39437 H1 TIP3 2685 -23.154 -9.068 -23.494 1.00 0.00 WT3 H ATOM 39438 H2 TIP3 2685 3.867 8.374 -8.546 1.00 0.00 WT3 H ATOM 39439 OH2 TIP3 2688 4.304 -0.937 0.476 1.00 0.00 WT3 O ATOM 39440 H1 TIP3 2688 -10.624 -10.384 4.889 1.00 0.00 WT3 H ATOM 39441 H2 TIP3 2688 -3.907 12.463 -6.587 1.00 0.00 WT3 H ATOM 39442 OH2 TIP3 2689 6.619 6.247 4.361 1.00 0.00 WT3 O ATOM 39443 H1 TIP3 2689 -2.951 2.980 -11.197 1.00 0.00 WT3 H ATOM 39444 H2 TIP3 2689 24.229 -9.555 9.046 1.00 0.00 WT3 H ATOM 39445 OH2 TIP3 2690 3.918 6.446 -0.040 1.00 0.00 WT3 O ATOM 39446 H1 TIP3 2690 -9.141 -19.710 10.350 1.00 0.00 WT3 H ATOM 39447 H2 TIP3 2690 2.094 0.368 2.361 1.00 0.00 WT3 H ATOM 39448 OH2 TIP3 2691 -4.935 -4.983 -3.001 1.00 0.00 WT3 O ATOM 39449 H1 TIP3 2691 16.924 -8.507 16.047 1.00 0.00 WT3 H ATOM 39450 H2 TIP3 2691 15.295 -8.960 10.677 1.00 0.00 WT3 H ATOM 39451 OH2 TIP3 2692 0.464 2.211 -1.480 1.00 0.00 WT3 O ATOM 39452 H1 TIP3 2692 -9.376 -7.995 -10.620 1.00 0.00 WT3 H ATOM 39453 H2 TIP3 2692 -14.653 0.564 12.340 1.00 0.00 WT3 H ATOM 39454 OH2 TIP3 2693 -0.594 1.561 -11.870 1.00 0.00 WT3 O ATOM 39455 H1 TIP3 2693 -1.594 -0.170 -1.148 1.00 0.00 WT3 H ATOM 39456 H2 TIP3 2693 7.489 9.263 -10.082 1.00 0.00 WT3 H ATOM 39457 OH2 TIP3 2694 -2.417 3.878 3.875 1.00 0.00 WT3 O ATOM 39458 H1 TIP3 2694 8.582 -8.686 4.929 1.00 0.00 WT3 H ATOM 39459 H2 TIP3 2694 14.732 -6.322 3.642 1.00 0.00 WT3 H ATOM 39460 OH2 TIP3 2695 2.292 1.172 0.081 1.00 0.00 WT3 O ATOM 39461 H1 TIP3 2695 4.041 4.353 16.204 1.00 0.00 WT3 H ATOM 39462 H2 TIP3 2695 -16.458 -9.889 15.292 1.00 0.00 WT3 H ATOM 39463 OH2 TIP3 2697 -3.032 -2.742 -0.395 1.00 0.00 WT3 O ATOM 39464 H1 TIP3 2697 22.966 10.018 1.250 1.00 0.00 WT3 H ATOM 39465 H2 TIP3 2697 -12.499 -5.436 -0.950 1.00 0.00 WT3 H ATOM 39466 OH2 TIP3 2698 -1.873 -1.814 1.351 1.00 0.00 WT3 O ATOM 39467 H1 TIP3 2698 -8.941 1.172 -9.051 1.00 0.00 WT3 H ATOM 39468 H2 TIP3 2698 0.154 0.047 12.969 1.00 0.00 WT3 H ATOM 39469 OH2 TIP3 2699 -3.252 3.555 -1.021 1.00 0.00 WT3 O ATOM 39470 H1 TIP3 2699 -24.902 -6.880 9.346 1.00 0.00 WT3 H ATOM 39471 H2 TIP3 2699 -5.670 -8.057 -3.064 1.00 0.00 WT3 H ATOM 39472 OH2 TIP3 2701 4.055 0.997 1.049 1.00 0.00 WT3 O ATOM 39473 H1 TIP3 2701 12.872 -7.802 24.644 1.00 0.00 WT3 H ATOM 39474 H2 TIP3 2701 -4.701 6.800 -19.401 1.00 0.00 WT3 H ATOM 39475 OH2 TIP3 2702 -2.423 1.254 7.524 1.00 0.00 WT3 O ATOM 39476 H1 TIP3 2702 -2.073 0.812 -1.169 1.00 0.00 WT3 H ATOM 39477 H2 TIP3 2702 -16.266 9.966 23.402 1.00 0.00 WT3 H ATOM 39478 OH2 TIP3 2705 -2.518 2.631 -2.881 1.00 0.00 WT3 O ATOM 39479 H1 TIP3 2705 -24.118 1.172 -15.406 1.00 0.00 WT3 H ATOM 39480 H2 TIP3 2705 -4.646 -15.691 12.762 1.00 0.00 WT3 H ATOM 39481 OH2 TIP3 2706 -2.042 5.812 4.807 1.00 0.00 WT3 O ATOM 39482 H1 TIP3 2706 11.172 2.648 -7.737 1.00 0.00 WT3 H ATOM 39483 H2 TIP3 2706 -0.577 -1.158 10.654 1.00 0.00 WT3 H ATOM 39484 OH2 TIP3 2707 0.011 -0.914 -1.397 1.00 0.00 WT3 O ATOM 39485 H1 TIP3 2707 -10.912 3.932 -4.753 1.00 0.00 WT3 H ATOM 39486 H2 TIP3 2707 -30.305 1.504 -3.978 1.00 0.00 WT3 H ATOM 39487 OH2 TIP3 2709 0.962 0.902 -1.737 1.00 0.00 WT3 O ATOM 39488 H1 TIP3 2709 2.082 -5.149 -3.009 1.00 0.00 WT3 H ATOM 39489 H2 TIP3 2709 -21.706 4.509 -5.311 1.00 0.00 WT3 H ATOM 39490 OH2 TIP3 2710 1.664 -3.930 3.290 1.00 0.00 WT3 O ATOM 39491 H1 TIP3 2710 -6.505 -2.422 4.602 1.00 0.00 WT3 H ATOM 39492 H2 TIP3 2710 -6.503 0.897 21.205 1.00 0.00 WT3 H ATOM 39493 OH2 TIP3 2713 -3.050 -6.083 -0.404 1.00 0.00 WT3 O ATOM 39494 H1 TIP3 2713 -4.279 -12.551 2.650 1.00 0.00 WT3 H ATOM 39495 H2 TIP3 2713 -14.490 -4.098 7.808 1.00 0.00 WT3 H ATOM 39496 OH2 TIP3 2714 7.486 7.375 -1.343 1.00 0.00 WT3 O ATOM 39497 H1 TIP3 2714 10.637 21.006 8.826 1.00 0.00 WT3 H ATOM 39498 H2 TIP3 2714 -10.235 10.056 0.699 1.00 0.00 WT3 H ATOM 39499 OH2 TIP3 2715 -1.432 -1.875 -2.870 1.00 0.00 WT3 O ATOM 39500 H1 TIP3 2715 5.630 -4.920 10.430 1.00 0.00 WT3 H ATOM 39501 H2 TIP3 2715 12.786 6.001 1.799 1.00 0.00 WT3 H ATOM 39502 OH2 TIP3 2717 0.842 3.001 -4.726 1.00 0.00 WT3 O ATOM 39503 H1 TIP3 2717 4.189 -21.188 7.065 1.00 0.00 WT3 H ATOM 39504 H2 TIP3 2717 -11.560 -23.017 -6.044 1.00 0.00 WT3 H ATOM 39505 OH2 TIP3 2718 -6.050 -2.014 6.925 1.00 0.00 WT3 O ATOM 39506 H1 TIP3 2718 -0.884 -4.597 -9.650 1.00 0.00 WT3 H ATOM 39507 H2 TIP3 2718 -12.929 20.845 -7.183 1.00 0.00 WT3 H ATOM 39508 OH2 TIP3 2719 2.830 -1.355 -5.396 1.00 0.00 WT3 O ATOM 39509 H1 TIP3 2719 -9.586 -10.618 -9.247 1.00 0.00 WT3 H ATOM 39510 H2 TIP3 2719 -3.314 -0.546 8.689 1.00 0.00 WT3 H ATOM 39511 OH2 TIP3 2720 2.185 1.529 8.361 1.00 0.00 WT3 O ATOM 39512 H1 TIP3 2720 11.262 -6.753 17.621 1.00 0.00 WT3 H ATOM 39513 H2 TIP3 2720 6.109 -5.629 -8.308 1.00 0.00 WT3 H ATOM 39514 OH2 TIP3 2723 -7.554 0.043 -3.980 1.00 0.00 WT3 O ATOM 39515 H1 TIP3 2723 4.885 29.902 20.804 1.00 0.00 WT3 H ATOM 39516 H2 TIP3 2723 -19.556 -7.559 -12.569 1.00 0.00 WT3 H ATOM 39517 OH2 TIP3 2724 5.367 1.323 1.981 1.00 0.00 WT3 O ATOM 39518 H1 TIP3 2724 4.880 -6.172 -25.833 1.00 0.00 WT3 H ATOM 39519 H2 TIP3 2724 4.219 5.126 19.284 1.00 0.00 WT3 H ATOM 39520 OH2 TIP3 2726 3.682 -2.395 6.009 1.00 0.00 WT3 O ATOM 39521 H1 TIP3 2726 6.024 -2.545 7.803 1.00 0.00 WT3 H ATOM 39522 H2 TIP3 2726 15.577 -10.746 10.062 1.00 0.00 WT3 H ATOM 39523 OH2 TIP3 2727 2.124 -3.406 7.604 1.00 0.00 WT3 O ATOM 39524 H1 TIP3 2727 22.656 -4.254 -15.913 1.00 0.00 WT3 H ATOM 39525 H2 TIP3 2727 27.339 -1.233 -5.275 1.00 0.00 WT3 H ATOM 39526 OH2 TIP3 2731 0.641 7.660 -6.815 1.00 0.00 WT3 O ATOM 39527 H1 TIP3 2731 9.123 6.815 6.033 1.00 0.00 WT3 H ATOM 39528 H2 TIP3 2731 2.748 15.876 -6.621 1.00 0.00 WT3 H ATOM 39529 OH2 TIP3 2732 3.477 4.100 -1.725 1.00 0.00 WT3 O ATOM 39530 H1 TIP3 2732 21.586 6.610 4.132 1.00 0.00 WT3 H ATOM 39531 H2 TIP3 2732 -4.968 21.836 0.355 1.00 0.00 WT3 H ATOM 39532 OH2 TIP3 2734 -0.348 -2.245 0.440 1.00 0.00 WT3 O ATOM 39533 H1 TIP3 2734 -18.073 -17.650 -2.791 1.00 0.00 WT3 H ATOM 39534 H2 TIP3 2734 16.831 21.132 0.248 1.00 0.00 WT3 H ATOM 39535 OH2 TIP3 2735 -0.850 -1.197 6.351 1.00 0.00 WT3 O ATOM 39536 H1 TIP3 2735 -7.694 -1.807 16.160 1.00 0.00 WT3 H ATOM 39537 H2 TIP3 2735 15.989 -4.674 -25.994 1.00 0.00 WT3 H ATOM 39538 OH2 TIP3 2736 6.378 1.770 1.400 1.00 0.00 WT3 O ATOM 39539 H1 TIP3 2736 -8.575 1.008 8.608 1.00 0.00 WT3 H ATOM 39540 H2 TIP3 2736 0.355 11.177 11.268 1.00 0.00 WT3 H ATOM 39541 OH2 TIP3 2737 1.089 1.712 -1.222 1.00 0.00 WT3 O ATOM 39542 H1 TIP3 2737 -9.486 -1.839 7.306 1.00 0.00 WT3 H ATOM 39543 H2 TIP3 2737 -0.059 20.310 2.409 1.00 0.00 WT3 H ATOM 39544 OH2 TIP3 2738 4.555 6.184 2.171 1.00 0.00 WT3 O ATOM 39545 H1 TIP3 2738 3.812 -8.103 -23.059 1.00 0.00 WT3 H ATOM 39546 H2 TIP3 2738 1.784 28.478 -3.128 1.00 0.00 WT3 H ATOM 39547 OH2 TIP3 2739 -4.979 2.225 0.459 1.00 0.00 WT3 O ATOM 39548 H1 TIP3 2739 2.106 -3.496 10.577 1.00 0.00 WT3 H ATOM 39549 H2 TIP3 2739 -10.798 14.861 6.870 1.00 0.00 WT3 H ATOM 39550 OH2 TIP3 2740 -5.797 2.802 -5.816 1.00 0.00 WT3 O ATOM 39551 H1 TIP3 2740 -10.147 -9.601 -4.259 1.00 0.00 WT3 H ATOM 39552 H2 TIP3 2740 -16.787 7.885 -7.128 1.00 0.00 WT3 H ATOM 39553 OH2 TIP3 2741 0.363 -1.694 5.744 1.00 0.00 WT3 O ATOM 39554 H1 TIP3 2741 3.000 23.066 -4.283 1.00 0.00 WT3 H ATOM 39555 H2 TIP3 2741 -1.841 -16.502 10.312 1.00 0.00 WT3 H ATOM 39556 OH2 TIP3 2742 0.865 1.491 0.040 1.00 0.00 WT3 O ATOM 39557 H1 TIP3 2742 1.065 14.957 26.212 1.00 0.00 WT3 H ATOM 39558 H2 TIP3 2742 -0.406 -7.539 -18.131 1.00 0.00 WT3 H ATOM 39559 OH2 TIP3 2743 2.211 0.395 -1.100 1.00 0.00 WT3 O ATOM 39560 H1 TIP3 2743 -12.214 -17.374 -11.232 1.00 0.00 WT3 H ATOM 39561 H2 TIP3 2743 3.098 15.513 -0.987 1.00 0.00 WT3 H ATOM 39562 OH2 TIP3 2746 -1.370 2.421 2.210 1.00 0.00 WT3 O ATOM 39563 H1 TIP3 2746 6.180 -0.407 -7.541 1.00 0.00 WT3 H ATOM 39564 H2 TIP3 2746 9.922 7.048 -16.970 1.00 0.00 WT3 H ATOM 39565 OH2 TIP3 2748 -4.732 5.547 -2.735 1.00 0.00 WT3 O ATOM 39566 H1 TIP3 2748 -10.113 -2.389 5.685 1.00 0.00 WT3 H ATOM 39567 H2 TIP3 2748 -19.426 6.369 -7.425 1.00 0.00 WT3 H ATOM 39568 OH2 TIP3 2752 -2.439 7.377 -2.356 1.00 0.00 WT3 O ATOM 39569 H1 TIP3 2752 -8.170 14.889 5.706 1.00 0.00 WT3 H ATOM 39570 H2 TIP3 2752 13.963 -7.837 -13.561 1.00 0.00 WT3 H ATOM 39571 OH2 TIP3 2753 5.111 -1.982 0.139 1.00 0.00 WT3 O ATOM 39572 H1 TIP3 2753 4.349 -7.962 8.656 1.00 0.00 WT3 H ATOM 39573 H2 TIP3 2753 -19.963 -23.580 -13.898 1.00 0.00 WT3 H ATOM 39574 OH2 TIP3 2754 -1.143 -2.628 3.300 1.00 0.00 WT3 O ATOM 39575 H1 TIP3 2754 -5.683 -21.522 2.457 1.00 0.00 WT3 H ATOM 39576 H2 TIP3 2754 -1.198 3.269 10.993 1.00 0.00 WT3 H ATOM 39577 OH2 TIP3 2755 -0.056 -0.810 -4.441 1.00 0.00 WT3 O ATOM 39578 H1 TIP3 2755 -14.435 1.633 -15.537 1.00 0.00 WT3 H ATOM 39579 H2 TIP3 2755 -1.549 0.489 7.995 1.00 0.00 WT3 H ATOM 39580 OH2 TIP3 2756 2.829 4.582 -3.968 1.00 0.00 WT3 O ATOM 39581 H1 TIP3 2756 -4.039 -6.815 4.595 1.00 0.00 WT3 H ATOM 39582 H2 TIP3 2756 9.288 7.919 15.654 1.00 0.00 WT3 H ATOM 39583 OH2 TIP3 2757 2.302 -0.343 5.210 1.00 0.00 WT3 O ATOM 39584 H1 TIP3 2757 12.133 10.861 3.893 1.00 0.00 WT3 H ATOM 39585 H2 TIP3 2757 0.612 -21.332 -2.102 1.00 0.00 WT3 H ATOM 39586 OH2 TIP3 2758 2.597 7.170 4.342 1.00 0.00 WT3 O ATOM 39587 H1 TIP3 2758 15.150 13.157 -2.305 1.00 0.00 WT3 H ATOM 39588 H2 TIP3 2758 0.117 6.470 5.146 1.00 0.00 WT3 H ATOM 39589 OH2 TIP3 2760 4.555 -0.884 1.982 1.00 0.00 WT3 O ATOM 39590 H1 TIP3 2760 -0.005 -1.169 0.031 1.00 0.00 WT3 H ATOM 39591 H2 TIP3 2760 3.849 -5.369 -4.705 1.00 0.00 WT3 H ATOM 39592 OH2 TIP3 2762 -3.636 1.532 -0.578 1.00 0.00 WT3 O ATOM 39593 H1 TIP3 2762 -9.413 -10.178 0.917 1.00 0.00 WT3 H ATOM 39594 H2 TIP3 2762 6.993 -7.798 12.960 1.00 0.00 WT3 H ATOM 39595 OH2 TIP3 2763 4.712 -3.563 1.719 1.00 0.00 WT3 O ATOM 39596 H1 TIP3 2763 -28.824 -12.442 7.545 1.00 0.00 WT3 H ATOM 39597 H2 TIP3 2763 -25.702 18.483 -13.991 1.00 0.00 WT3 H ATOM 39598 OH2 TIP3 2764 0.909 -0.281 3.488 1.00 0.00 WT3 O ATOM 39599 H1 TIP3 2764 12.625 9.848 15.932 1.00 0.00 WT3 H ATOM 39600 H2 TIP3 2764 -8.572 -8.181 -6.767 1.00 0.00 WT3 H ATOM 39601 OH2 TIP3 2765 1.944 -5.051 0.165 1.00 0.00 WT3 O ATOM 39602 H1 TIP3 2765 3.159 -0.039 -14.429 1.00 0.00 WT3 H ATOM 39603 H2 TIP3 2765 -10.304 3.753 15.870 1.00 0.00 WT3 H ATOM 39604 OH2 TIP3 2766 1.848 1.485 -1.173 1.00 0.00 WT3 O ATOM 39605 H1 TIP3 2766 0.024 0.083 -0.851 1.00 0.00 WT3 H ATOM 39606 H2 TIP3 2766 0.919 21.265 -10.620 1.00 0.00 WT3 H ATOM 39607 OH2 TIP3 2768 -0.429 -2.569 -4.420 1.00 0.00 WT3 O ATOM 39608 H1 TIP3 2768 0.499 -6.543 -1.510 1.00 0.00 WT3 H ATOM 39609 H2 TIP3 2768 -15.594 2.651 -4.637 1.00 0.00 WT3 H ATOM 39610 OH2 TIP3 2769 -1.317 -1.725 -2.341 1.00 0.00 WT3 O ATOM 39611 H1 TIP3 2769 -17.221 10.255 1.811 1.00 0.00 WT3 H ATOM 39612 H2 TIP3 2769 5.389 6.717 -19.701 1.00 0.00 WT3 H ATOM 39613 OH2 TIP3 2771 3.288 -4.513 -4.138 1.00 0.00 WT3 O ATOM 39614 H1 TIP3 2771 3.595 -16.171 -16.540 1.00 0.00 WT3 H ATOM 39615 H2 TIP3 2771 -26.254 3.984 26.207 1.00 0.00 WT3 H ATOM 39616 OH2 TIP3 2772 -4.566 -8.139 -1.244 1.00 0.00 WT3 O ATOM 39617 H1 TIP3 2772 5.980 -2.369 -10.145 1.00 0.00 WT3 H ATOM 39618 H2 TIP3 2772 -0.780 -2.328 8.976 1.00 0.00 WT3 H ATOM 39619 OH2 TIP3 2774 6.725 4.881 -1.769 1.00 0.00 WT3 O ATOM 39620 H1 TIP3 2774 -11.544 19.634 5.984 1.00 0.00 WT3 H ATOM 39621 H2 TIP3 2774 7.435 20.950 5.710 1.00 0.00 WT3 H ATOM 39622 OH2 TIP3 2775 10.568 -4.814 2.253 1.00 0.00 WT3 O ATOM 39623 H1 TIP3 2775 42.903 -12.466 8.093 1.00 0.00 WT3 H ATOM 39624 H2 TIP3 2775 -2.265 -1.555 41.762 1.00 0.00 WT3 H ATOM 39625 OH2 TIP3 2776 -7.784 5.372 3.572 1.00 0.00 WT3 O ATOM 39626 H1 TIP3 2776 11.841 2.624 1.693 1.00 0.00 WT3 H ATOM 39627 H2 TIP3 2776 10.598 -9.404 7.919 1.00 0.00 WT3 H ATOM 39628 OH2 TIP3 2777 -0.705 0.158 -3.514 1.00 0.00 WT3 O ATOM 39629 H1 TIP3 2777 -2.785 -1.016 -0.637 1.00 0.00 WT3 H ATOM 39630 H2 TIP3 2777 -28.311 -14.756 -9.111 1.00 0.00 WT3 H ATOM 39631 OH2 TIP3 2778 -4.680 -7.590 -3.568 1.00 0.00 WT3 O ATOM 39632 H1 TIP3 2778 -5.383 -6.770 -8.185 1.00 0.00 WT3 H ATOM 39633 H2 TIP3 2778 -2.825 -7.729 25.810 1.00 0.00 WT3 H ATOM 39634 OH2 TIP3 2779 -2.085 3.369 -1.406 1.00 0.00 WT3 O ATOM 39635 H1 TIP3 2779 -20.259 -2.970 -11.016 1.00 0.00 WT3 H ATOM 39636 H2 TIP3 2779 -8.902 15.184 8.257 1.00 0.00 WT3 H ATOM 39637 OH2 TIP3 2780 2.545 -1.702 4.453 1.00 0.00 WT3 O ATOM 39638 H1 TIP3 2780 -5.494 6.406 19.952 1.00 0.00 WT3 H ATOM 39639 H2 TIP3 2780 -1.254 0.358 -8.753 1.00 0.00 WT3 H ATOM 39640 OH2 TIP3 2782 -0.869 1.623 -0.783 1.00 0.00 WT3 O ATOM 39641 H1 TIP3 2782 7.969 -8.720 -6.102 1.00 0.00 WT3 H ATOM 39642 H2 TIP3 2782 -7.588 12.615 15.196 1.00 0.00 WT3 H ATOM 39643 OH2 TIP3 2783 -3.848 -2.442 -5.613 1.00 0.00 WT3 O ATOM 39644 H1 TIP3 2783 19.649 -14.116 17.641 1.00 0.00 WT3 H ATOM 39645 H2 TIP3 2783 3.072 -12.989 5.462 1.00 0.00 WT3 H ATOM 39646 OH2 TIP3 2784 -0.077 1.314 -3.692 1.00 0.00 WT3 O ATOM 39647 H1 TIP3 2784 8.474 1.693 9.810 1.00 0.00 WT3 H ATOM 39648 H2 TIP3 2784 -0.462 -1.412 6.312 1.00 0.00 WT3 H ATOM 39649 OH2 TIP3 2785 3.923 5.143 3.509 1.00 0.00 WT3 O ATOM 39650 H1 TIP3 2785 9.872 -0.561 1.755 1.00 0.00 WT3 H ATOM 39651 H2 TIP3 2785 1.090 3.651 -2.284 1.00 0.00 WT3 H ATOM 39652 OH2 TIP3 2786 3.644 2.381 3.284 1.00 0.00 WT3 O ATOM 39653 H1 TIP3 2786 -1.679 3.107 21.391 1.00 0.00 WT3 H ATOM 39654 H2 TIP3 2786 -1.969 2.739 12.884 1.00 0.00 WT3 H ATOM 39655 OH2 TIP3 2791 0.375 -0.833 3.297 1.00 0.00 WT3 O ATOM 39656 H1 TIP3 2791 3.079 3.235 5.541 1.00 0.00 WT3 H ATOM 39657 H2 TIP3 2791 2.036 -4.213 5.580 1.00 0.00 WT3 H ATOM 39658 OH2 TIP3 2792 0.103 0.997 1.457 1.00 0.00 WT3 O ATOM 39659 H1 TIP3 2792 6.395 -13.589 3.101 1.00 0.00 WT3 H ATOM 39660 H2 TIP3 2792 -5.432 25.928 -5.664 1.00 0.00 WT3 H ATOM 39661 OH2 TIP3 2794 -3.203 8.483 -0.665 1.00 0.00 WT3 O ATOM 39662 H1 TIP3 2794 4.192 1.589 17.349 1.00 0.00 WT3 H ATOM 39663 H2 TIP3 2794 0.393 -8.268 -14.314 1.00 0.00 WT3 H ATOM 39664 OH2 TIP3 2795 3.093 3.668 3.955 1.00 0.00 WT3 O ATOM 39665 H1 TIP3 2795 16.501 16.168 -16.600 1.00 0.00 WT3 H ATOM 39666 H2 TIP3 2795 20.316 -0.472 -6.566 1.00 0.00 WT3 H ATOM 39667 OH2 TIP3 2797 3.590 -1.688 4.430 1.00 0.00 WT3 O ATOM 39668 H1 TIP3 2797 -3.519 2.330 5.053 1.00 0.00 WT3 H ATOM 39669 H2 TIP3 2797 -8.451 7.464 2.423 1.00 0.00 WT3 H ATOM 39670 OH2 TIP3 2799 -5.285 -0.276 -3.074 1.00 0.00 WT3 O ATOM 39671 H1 TIP3 2799 -1.763 -2.484 1.095 1.00 0.00 WT3 H ATOM 39672 H2 TIP3 2799 -0.595 -14.987 4.594 1.00 0.00 WT3 H ATOM 39673 OH2 TIP3 2800 3.147 -3.579 8.777 1.00 0.00 WT3 O ATOM 39674 H1 TIP3 2800 -18.631 -9.338 13.382 1.00 0.00 WT3 H ATOM 39675 H2 TIP3 2800 -7.880 1.022 -3.674 1.00 0.00 WT3 H ATOM 39676 OH2 TIP3 2801 8.814 -1.486 1.727 1.00 0.00 WT3 O ATOM 39677 H1 TIP3 2801 0.768 1.577 -0.357 1.00 0.00 WT3 H ATOM 39678 H2 TIP3 2801 12.895 -5.768 11.292 1.00 0.00 WT3 H ATOM 39679 OH2 TIP3 2804 2.543 2.516 -3.225 1.00 0.00 WT3 O ATOM 39680 H1 TIP3 2804 4.072 -6.640 -10.141 1.00 0.00 WT3 H ATOM 39681 H2 TIP3 2804 8.976 -12.198 -4.788 1.00 0.00 WT3 H ATOM 39682 OH2 TIP3 2805 -4.881 1.799 2.562 1.00 0.00 WT3 O ATOM 39683 H1 TIP3 2805 0.070 19.511 -6.716 1.00 0.00 WT3 H ATOM 39684 H2 TIP3 2805 7.831 3.411 13.812 1.00 0.00 WT3 H ATOM 39685 OH2 TIP3 2806 -1.615 -3.322 -3.450 1.00 0.00 WT3 O ATOM 39686 H1 TIP3 2806 -14.034 -7.808 16.147 1.00 0.00 WT3 H ATOM 39687 H2 TIP3 2806 9.953 22.802 -1.630 1.00 0.00 WT3 H ATOM 39688 OH2 TIP3 2808 -0.975 -2.593 -11.055 1.00 0.00 WT3 O ATOM 39689 H1 TIP3 2808 3.826 -10.267 -6.598 1.00 0.00 WT3 H ATOM 39690 H2 TIP3 2808 -7.400 2.433 -18.115 1.00 0.00 WT3 H ATOM 39691 OH2 TIP3 2809 6.215 -8.875 5.178 1.00 0.00 WT3 O ATOM 39692 H1 TIP3 2809 1.219 -1.096 4.735 1.00 0.00 WT3 H ATOM 39693 H2 TIP3 2809 -4.348 8.976 -3.619 1.00 0.00 WT3 H ATOM 39694 OH2 TIP3 2810 3.477 3.619 -1.698 1.00 0.00 WT3 O ATOM 39695 H1 TIP3 2810 -6.443 16.632 -4.413 1.00 0.00 WT3 H ATOM 39696 H2 TIP3 2810 -8.692 -9.125 5.371 1.00 0.00 WT3 H ATOM 39697 OH2 TIP3 2811 -2.175 4.857 0.396 1.00 0.00 WT3 O ATOM 39698 H1 TIP3 2811 -21.233 -17.720 -0.567 1.00 0.00 WT3 H ATOM 39699 H2 TIP3 2811 4.971 -5.782 -0.812 1.00 0.00 WT3 H ATOM 39700 OH2 TIP3 2813 4.277 0.513 -0.590 1.00 0.00 WT3 O ATOM 39701 H1 TIP3 2813 9.633 -2.596 -13.912 1.00 0.00 WT3 H ATOM 39702 H2 TIP3 2813 -16.082 4.440 -2.055 1.00 0.00 WT3 H ATOM 39703 OH2 TIP3 2815 1.565 4.014 -4.648 1.00 0.00 WT3 O ATOM 39704 H1 TIP3 2815 17.342 18.249 1.699 1.00 0.00 WT3 H ATOM 39705 H2 TIP3 2815 12.003 -4.780 -15.507 1.00 0.00 WT3 H ATOM 39706 OH2 TIP3 2817 1.064 -6.212 -2.161 1.00 0.00 WT3 O ATOM 39707 H1 TIP3 2817 3.245 -9.273 -2.340 1.00 0.00 WT3 H ATOM 39708 H2 TIP3 2817 2.310 -4.768 -8.074 1.00 0.00 WT3 H ATOM 39709 OH2 TIP3 2818 2.289 -1.127 5.214 1.00 0.00 WT3 O ATOM 39710 H1 TIP3 2818 13.552 -5.916 21.977 1.00 0.00 WT3 H ATOM 39711 H2 TIP3 2818 8.012 -4.294 6.219 1.00 0.00 WT3 H ATOM 39712 OH2 TIP3 2820 -1.845 5.852 1.667 1.00 0.00 WT3 O ATOM 39713 H1 TIP3 2820 -6.581 -8.217 7.311 1.00 0.00 WT3 H ATOM 39714 H2 TIP3 2820 4.210 2.247 29.003 1.00 0.00 WT3 H ATOM 39715 OH2 TIP3 2821 -3.971 -0.698 2.556 1.00 0.00 WT3 O ATOM 39716 H1 TIP3 2821 5.231 13.862 4.071 1.00 0.00 WT3 H ATOM 39717 H2 TIP3 2821 1.342 10.918 2.373 1.00 0.00 WT3 H ATOM 39718 OH2 TIP3 2824 -0.108 -0.521 -2.544 1.00 0.00 WT3 O ATOM 39719 H1 TIP3 2824 1.875 -6.896 12.079 1.00 0.00 WT3 H ATOM 39720 H2 TIP3 2824 -10.004 -12.906 -9.643 1.00 0.00 WT3 H ATOM 39721 OH2 TIP3 2825 -2.098 -1.602 -0.439 1.00 0.00 WT3 O ATOM 39722 H1 TIP3 2825 14.476 -9.306 2.143 1.00 0.00 WT3 H ATOM 39723 H2 TIP3 2825 -3.060 -5.571 28.820 1.00 0.00 WT3 H ATOM 39724 OH2 TIP3 2826 -2.509 3.396 -0.197 1.00 0.00 WT3 O ATOM 39725 H1 TIP3 2826 0.045 22.502 -22.420 1.00 0.00 WT3 H ATOM 39726 H2 TIP3 2826 -33.817 27.846 0.227 1.00 0.00 WT3 H ATOM 39727 OH2 TIP3 2827 -1.762 5.978 -0.143 1.00 0.00 WT3 O ATOM 39728 H1 TIP3 2827 -14.234 14.777 -18.843 1.00 0.00 WT3 H ATOM 39729 H2 TIP3 2827 9.474 9.420 16.420 1.00 0.00 WT3 H ATOM 39730 OH2 TIP3 2829 -3.286 1.234 -5.557 1.00 0.00 WT3 O ATOM 39731 H1 TIP3 2829 7.788 -2.158 -26.804 1.00 0.00 WT3 H ATOM 39732 H2 TIP3 2829 -4.713 1.789 0.439 1.00 0.00 WT3 H ATOM 39733 OH2 TIP3 2830 -2.183 1.379 1.153 1.00 0.00 WT3 O ATOM 39734 H1 TIP3 2830 -4.645 4.806 18.370 1.00 0.00 WT3 H ATOM 39735 H2 TIP3 2830 13.079 -4.893 -16.152 1.00 0.00 WT3 H ATOM 39736 OH2 TIP3 2831 -1.860 -2.250 -3.253 1.00 0.00 WT3 O ATOM 39737 H1 TIP3 2831 0.133 -4.862 1.321 1.00 0.00 WT3 H ATOM 39738 H2 TIP3 2831 4.279 -1.667 -5.895 1.00 0.00 WT3 H ATOM 39739 OH2 TIP3 2832 0.797 -1.352 1.142 1.00 0.00 WT3 O ATOM 39740 H1 TIP3 2832 5.657 -6.458 -15.195 1.00 0.00 WT3 H ATOM 39741 H2 TIP3 2832 12.500 -14.505 8.515 1.00 0.00 WT3 H ATOM 39742 OH2 TIP3 2833 -4.605 12.941 -14.254 1.00 0.00 WT3 O ATOM 39743 H1 TIP3 2833 -4.089 10.252 -16.423 1.00 0.00 WT3 H ATOM 39744 H2 TIP3 2833 -2.208 11.698 -17.002 1.00 0.00 WT3 H ATOM 39745 OH2 TIP3 2834 3.312 3.550 -3.915 1.00 0.00 WT3 O ATOM 39746 H1 TIP3 2834 -14.182 -16.626 1.432 1.00 0.00 WT3 H ATOM 39747 H2 TIP3 2834 6.578 13.217 10.559 1.00 0.00 WT3 H ATOM 39748 OH2 TIP3 2835 2.449 2.197 -0.885 1.00 0.00 WT3 O ATOM 39749 H1 TIP3 2835 -4.779 6.316 4.165 1.00 0.00 WT3 H ATOM 39750 H2 TIP3 2835 -5.775 -3.194 27.945 1.00 0.00 WT3 H ATOM 39751 OH2 TIP3 2836 3.668 -2.927 -1.960 1.00 0.00 WT3 O ATOM 39752 H1 TIP3 2836 -9.478 -3.674 1.324 1.00 0.00 WT3 H ATOM 39753 H2 TIP3 2836 4.592 6.961 -8.350 1.00 0.00 WT3 H ATOM 39754 OH2 TIP3 2837 3.345 -1.330 9.342 1.00 0.00 WT3 O ATOM 39755 H1 TIP3 2837 1.864 -14.382 27.735 1.00 0.00 WT3 H ATOM 39756 H2 TIP3 2837 3.193 -10.100 20.656 1.00 0.00 WT3 H ATOM 39757 OH2 TIP3 2842 -3.399 2.495 -1.443 1.00 0.00 WT3 O ATOM 39758 H1 TIP3 2842 -8.534 -4.303 25.748 1.00 0.00 WT3 H ATOM 39759 H2 TIP3 2842 -5.256 -9.550 -24.753 1.00 0.00 WT3 H ATOM 39760 OH2 TIP3 2843 4.198 2.200 0.744 1.00 0.00 WT3 O ATOM 39761 H1 TIP3 2843 10.817 -9.621 1.963 1.00 0.00 WT3 H ATOM 39762 H2 TIP3 2843 -8.534 17.103 -0.127 1.00 0.00 WT3 H ATOM 39763 OH2 TIP3 2844 0.622 1.106 4.956 1.00 0.00 WT3 O ATOM 39764 H1 TIP3 2844 2.614 -4.634 3.668 1.00 0.00 WT3 H ATOM 39765 H2 TIP3 2844 6.173 -11.140 -6.574 1.00 0.00 WT3 H ATOM 39766 OH2 TIP3 2845 4.501 -9.308 1.054 1.00 0.00 WT3 O ATOM 39767 H1 TIP3 2845 -7.481 -11.874 6.489 1.00 0.00 WT3 H ATOM 39768 H2 TIP3 2845 18.337 -1.361 -9.888 1.00 0.00 WT3 H ATOM 39769 OH2 TIP3 2846 -0.112 1.281 -0.389 1.00 0.00 WT3 O ATOM 39770 H1 TIP3 2846 8.377 -11.905 -0.778 1.00 0.00 WT3 H ATOM 39771 H2 TIP3 2846 0.318 2.321 -7.387 1.00 0.00 WT3 H ATOM 39772 OH2 TIP3 2847 -5.790 -1.735 3.711 1.00 0.00 WT3 O ATOM 39773 H1 TIP3 2847 -9.935 -1.378 0.524 1.00 0.00 WT3 H ATOM 39774 H2 TIP3 2847 -5.892 -1.499 -2.078 1.00 0.00 WT3 H ATOM 39775 OH2 TIP3 2849 1.490 -4.438 -0.233 1.00 0.00 WT3 O ATOM 39776 H1 TIP3 2849 -0.020 9.733 17.449 1.00 0.00 WT3 H ATOM 39777 H2 TIP3 2849 5.913 -14.951 -17.058 1.00 0.00 WT3 H ATOM 39778 OH2 TIP3 2852 3.094 1.981 -0.173 1.00 0.00 WT3 O ATOM 39779 H1 TIP3 2852 19.389 6.699 -2.598 1.00 0.00 WT3 H ATOM 39780 H2 TIP3 2852 4.037 -13.056 2.153 1.00 0.00 WT3 H ATOM 39781 OH2 TIP3 2855 1.467 2.268 -6.134 1.00 0.00 WT3 O ATOM 39782 H1 TIP3 2855 -9.818 -10.698 -23.538 1.00 0.00 WT3 H ATOM 39783 H2 TIP3 2855 1.507 28.488 6.760 1.00 0.00 WT3 H ATOM 39784 OH2 TIP3 2856 -3.127 -3.344 -2.093 1.00 0.00 WT3 O ATOM 39785 H1 TIP3 2856 -19.267 9.845 2.983 1.00 0.00 WT3 H ATOM 39786 H2 TIP3 2856 -10.315 -14.425 -10.872 1.00 0.00 WT3 H ATOM 39787 OH2 TIP3 2857 3.490 5.860 -3.702 1.00 0.00 WT3 O ATOM 39788 H1 TIP3 2857 -1.138 -7.716 6.176 1.00 0.00 WT3 H ATOM 39789 H2 TIP3 2857 11.609 11.856 -8.126 1.00 0.00 WT3 H ATOM 39790 OH2 TIP3 2862 0.908 -2.719 3.233 1.00 0.00 WT3 O ATOM 39791 H1 TIP3 2862 -3.178 4.365 -1.427 1.00 0.00 WT3 H ATOM 39792 H2 TIP3 2862 1.918 -5.209 3.091 1.00 0.00 WT3 H ATOM 39793 OH2 TIP3 2865 6.082 1.115 -6.799 1.00 0.00 WT3 O ATOM 39794 H1 TIP3 2865 -7.117 -13.241 7.120 1.00 0.00 WT3 H ATOM 39795 H2 TIP3 2865 -2.396 -1.363 -9.198 1.00 0.00 WT3 H ATOM 39796 OH2 TIP3 2866 1.627 -7.575 1.813 1.00 0.00 WT3 O ATOM 39797 H1 TIP3 2866 22.245 -6.403 19.087 1.00 0.00 WT3 H ATOM 39798 H2 TIP3 2866 -1.458 9.936 -5.827 1.00 0.00 WT3 H ATOM 39799 OH2 TIP3 2868 -2.995 -1.664 -9.639 1.00 0.00 WT3 O ATOM 39800 H1 TIP3 2868 -6.471 -5.653 -21.533 1.00 0.00 WT3 H ATOM 39801 H2 TIP3 2868 13.345 -0.403 -1.734 1.00 0.00 WT3 H ATOM 39802 OH2 TIP3 2872 2.684 -3.819 -1.053 1.00 0.00 WT3 O ATOM 39803 H1 TIP3 2872 10.320 10.946 -2.067 1.00 0.00 WT3 H ATOM 39804 H2 TIP3 2872 -26.630 -6.974 -5.758 1.00 0.00 WT3 H ATOM 39805 OH2 TIP3 2873 1.367 -2.004 2.549 1.00 0.00 WT3 O ATOM 39806 H1 TIP3 2873 -4.005 12.930 -4.858 1.00 0.00 WT3 H ATOM 39807 H2 TIP3 2873 -3.331 -1.878 -8.714 1.00 0.00 WT3 H ATOM 39808 OH2 TIP3 2874 0.795 -2.989 -5.091 1.00 0.00 WT3 O ATOM 39809 H1 TIP3 2874 7.085 7.383 5.731 1.00 0.00 WT3 H ATOM 39810 H2 TIP3 2874 -2.642 -20.226 0.316 1.00 0.00 WT3 H ATOM 39811 OH2 TIP3 2875 -2.360 -2.616 4.305 1.00 0.00 WT3 O ATOM 39812 H1 TIP3 2875 -9.339 5.976 -19.465 1.00 0.00 WT3 H ATOM 39813 H2 TIP3 2875 -18.166 4.506 -5.620 1.00 0.00 WT3 H ATOM 39814 OH2 TIP3 2876 -5.329 -1.617 -0.782 1.00 0.00 WT3 O ATOM 39815 H1 TIP3 2876 6.448 -16.043 -12.641 1.00 0.00 WT3 H ATOM 39816 H2 TIP3 2876 -5.465 -9.619 -6.599 1.00 0.00 WT3 H ATOM 39817 OH2 TIP3 2877 -2.044 1.934 2.739 1.00 0.00 WT3 O ATOM 39818 H1 TIP3 2877 -2.069 7.022 4.623 1.00 0.00 WT3 H ATOM 39819 H2 TIP3 2877 -0.137 1.161 5.083 1.00 0.00 WT3 H ATOM 39820 OH2 TIP3 2878 7.389 2.604 0.983 1.00 0.00 WT3 O ATOM 39821 H1 TIP3 2878 -6.341 -7.036 -6.024 1.00 0.00 WT3 H ATOM 39822 H2 TIP3 2878 19.953 17.123 2.034 1.00 0.00 WT3 H ATOM 39823 OH2 TIP3 2885 7.560 -2.039 -3.797 1.00 0.00 WT3 O ATOM 39824 H1 TIP3 2885 7.724 3.470 -2.459 1.00 0.00 WT3 H ATOM 39825 H2 TIP3 2885 6.501 -8.637 -6.318 1.00 0.00 WT3 H ATOM 39826 OH2 TIP3 2889 0.604 -0.369 -3.961 1.00 0.00 WT3 O ATOM 39827 H1 TIP3 2889 3.811 7.951 -5.666 1.00 0.00 WT3 H ATOM 39828 H2 TIP3 2889 -25.206 9.917 -5.796 1.00 0.00 WT3 H ATOM 39829 OH2 TIP3 2895 2.422 3.697 -2.595 1.00 0.00 WT3 O ATOM 39830 H1 TIP3 2895 -22.703 -4.156 0.073 1.00 0.00 WT3 H ATOM 39831 H2 TIP3 2895 9.184 -8.082 8.141 1.00 0.00 WT3 H ATOM 39832 OH2 TIP3 2907 -1.549 0.076 3.949 1.00 0.00 WT3 O ATOM 39833 H1 TIP3 2907 -5.708 13.104 2.530 1.00 0.00 WT3 H ATOM 39834 H2 TIP3 2907 -7.532 4.947 1.384 1.00 0.00 WT3 H ATOM 39835 OH2 TIP3 2910 -1.607 -5.518 -3.087 1.00 0.00 WT3 O ATOM 39836 H1 TIP3 2910 2.685 -15.831 1.436 1.00 0.00 WT3 H ATOM 39837 H2 TIP3 2910 -3.376 0.118 4.177 1.00 0.00 WT3 H ATOM 39838 OH2 TIP3 2913 2.867 -2.754 -6.680 1.00 0.00 WT3 O ATOM 39839 H1 TIP3 2913 8.049 -10.907 -27.130 1.00 0.00 WT3 H ATOM 39840 H2 TIP3 2913 21.259 13.077 -10.378 1.00 0.00 WT3 H ATOM 39841 OH2 TIP3 2926 6.670 -2.830 -6.464 1.00 0.00 WT3 O ATOM 39842 H1 TIP3 2926 -7.148 9.055 -13.700 1.00 0.00 WT3 H ATOM 39843 H2 TIP3 2926 -5.003 -23.156 4.221 1.00 0.00 WT3 H ATOM 39844 OH2 TIP3 2944 2.308 -3.816 -3.634 1.00 0.00 WT3 O ATOM 39845 H1 TIP3 2944 7.043 -3.526 -2.525 1.00 0.00 WT3 H ATOM 39846 H2 TIP3 2944 0.960 1.080 -3.071 1.00 0.00 WT3 H ATOM 39847 OH2 TIP3 2957 1.162 3.686 0.888 1.00 0.00 WT3 O ATOM 39848 H1 TIP3 2957 1.348 7.259 13.894 1.00 0.00 WT3 H ATOM 39849 H2 TIP3 2957 4.802 1.890 -21.110 1.00 0.00 WT3 H ATOM 39850 OH2 TIP3 3010 0.371 0.884 1.247 1.00 0.00 WT3 O ATOM 39851 H1 TIP3 3010 -5.333 -11.586 4.593 1.00 0.00 WT3 H ATOM 39852 H2 TIP3 3010 -6.681 8.008 1.298 1.00 0.00 WT3 H ATOM 39853 OH2 TIP3 3012 -0.703 1.337 -0.584 1.00 0.00 WT3 O ATOM 39854 H1 TIP3 3012 -7.893 -0.863 -7.801 1.00 0.00 WT3 H ATOM 39855 H2 TIP3 3012 -12.646 9.550 9.409 1.00 0.00 WT3 H ATOM 39856 OH2 TIP3 3016 -4.208 0.301 1.375 1.00 0.00 WT3 O ATOM 39857 H1 TIP3 3016 -2.267 -7.625 -7.905 1.00 0.00 WT3 H ATOM 39858 H2 TIP3 3016 -13.130 -7.888 -10.608 1.00 0.00 WT3 H ATOM 39859 OH2 TIP3 3024 -6.445 1.542 6.504 1.00 0.00 WT3 O ATOM 39860 H1 TIP3 3024 -10.996 -8.757 -0.735 1.00 0.00 WT3 H ATOM 39861 H2 TIP3 3024 9.961 -0.741 6.762 1.00 0.00 WT3 H ATOM 39862 OH2 TIP3 3027 -4.964 -4.053 -1.964 1.00 0.00 WT3 O ATOM 39863 H1 TIP3 3027 4.902 -7.161 -10.910 1.00 0.00 WT3 H ATOM 39864 H2 TIP3 3027 -13.037 -6.533 -6.998 1.00 0.00 WT3 H ATOM 39865 OH2 TIP3 3030 -0.818 -2.874 -2.559 1.00 0.00 WT3 O ATOM 39866 H1 TIP3 3030 5.057 0.027 1.551 1.00 0.00 WT3 H ATOM 39867 H2 TIP3 3030 -3.664 1.658 -21.282 1.00 0.00 WT3 H ATOM 39868 OH2 TIP3 3037 6.637 -5.246 6.133 1.00 0.00 WT3 O ATOM 39869 H1 TIP3 3037 -5.644 7.503 -13.931 1.00 0.00 WT3 H ATOM 39870 H2 TIP3 3037 2.709 -0.245 22.085 1.00 0.00 WT3 H ATOM 39871 OH2 TIP3 3042 1.215 3.384 -0.768 1.00 0.00 WT3 O ATOM 39872 H1 TIP3 3042 16.716 -0.839 -13.124 1.00 0.00 WT3 H ATOM 39873 H2 TIP3 3042 15.295 17.837 9.009 1.00 0.00 WT3 H ATOM 39874 OH2 TIP3 3046 1.832 -5.788 3.413 1.00 0.00 WT3 O ATOM 39875 H1 TIP3 3046 1.626 -5.404 3.880 1.00 0.00 WT3 H ATOM 39876 H2 TIP3 3046 4.465 -6.860 8.486 1.00 0.00 WT3 H ATOM 39877 OH2 TIP3 3049 -2.602 -2.942 -5.419 1.00 0.00 WT3 O ATOM 39878 H1 TIP3 3049 -2.238 -3.462 -3.990 1.00 0.00 WT3 H ATOM 39879 H2 TIP3 3049 -29.026 14.187 1.589 1.00 0.00 WT3 H ATOM 39880 OH2 TIP3 3050 -2.597 3.295 -1.699 1.00 0.00 WT3 O ATOM 39881 H1 TIP3 3050 1.744 12.578 -4.749 1.00 0.00 WT3 H ATOM 39882 H2 TIP3 3050 -2.462 3.658 2.015 1.00 0.00 WT3 H ATOM 39883 OH2 TIP3 3053 -0.770 -9.286 0.510 1.00 0.00 WT3 O ATOM 39884 H1 TIP3 3053 4.506 2.740 -1.198 1.00 0.00 WT3 H ATOM 39885 H2 TIP3 3053 16.752 -28.289 -8.139 1.00 0.00 WT3 H ATOM 39886 OH2 TIP3 3057 -5.015 -0.822 -4.396 1.00 0.00 WT3 O ATOM 39887 H1 TIP3 3057 -3.853 -3.703 -1.431 1.00 0.00 WT3 H ATOM 39888 H2 TIP3 3057 17.889 -12.619 -12.142 1.00 0.00 WT3 H ATOM 39889 OH2 TIP3 3059 -1.527 -3.482 -3.913 1.00 0.00 WT3 O ATOM 39890 H1 TIP3 3059 -11.927 -17.775 -2.138 1.00 0.00 WT3 H ATOM 39891 H2 TIP3 3059 2.143 8.986 37.413 1.00 0.00 WT3 H ATOM 39892 OH2 TIP3 3066 -4.760 -0.189 -4.759 1.00 0.00 WT3 O ATOM 39893 H1 TIP3 3066 -13.145 2.673 1.078 1.00 0.00 WT3 H ATOM 39894 H2 TIP3 3066 13.289 6.465 -7.555 1.00 0.00 WT3 H ATOM 39895 OH2 TIP3 3070 6.997 4.030 0.544 1.00 0.00 WT3 O ATOM 39896 H1 TIP3 3070 -1.856 -6.407 6.543 1.00 0.00 WT3 H ATOM 39897 H2 TIP3 3070 10.781 -0.664 -6.168 1.00 0.00 WT3 H ATOM 39898 OH2 TIP3 3071 -1.489 1.641 -1.267 1.00 0.00 WT3 O ATOM 39899 H1 TIP3 3071 10.248 -3.801 15.540 1.00 0.00 WT3 H ATOM 39900 H2 TIP3 3071 6.383 -1.972 9.795 1.00 0.00 WT3 H ATOM 39901 OH2 TIP3 3072 -3.484 0.575 2.391 1.00 0.00 WT3 O ATOM 39902 H1 TIP3 3072 1.936 8.808 -2.726 1.00 0.00 WT3 H ATOM 39903 H2 TIP3 3072 7.926 26.684 9.362 1.00 0.00 WT3 H ATOM 39904 OH2 TIP3 3073 0.372 -4.775 -0.449 1.00 0.00 WT3 O ATOM 39905 H1 TIP3 3073 17.257 -16.337 -9.400 1.00 0.00 WT3 H ATOM 39906 H2 TIP3 3073 25.784 -7.498 12.228 1.00 0.00 WT3 H ATOM 39907 OH2 TIP3 3079 -1.022 1.689 0.146 1.00 0.00 WT3 O ATOM 39908 H1 TIP3 3079 17.543 -6.989 0.444 1.00 0.00 WT3 H ATOM 39909 H2 TIP3 3079 -15.777 11.145 2.105 1.00 0.00 WT3 H ATOM 39910 OH2 TIP3 3080 -8.044 0.091 -11.701 1.00 0.00 WT3 O ATOM 39911 H1 TIP3 3080 -5.739 0.326 -8.141 1.00 0.00 WT3 H ATOM 39912 H2 TIP3 3080 -8.970 1.321 -10.601 1.00 0.00 WT3 H ATOM 39913 OH2 TIP3 3081 2.700 1.467 9.856 1.00 0.00 WT3 O ATOM 39914 H1 TIP3 3081 19.408 31.251 17.562 1.00 0.00 WT3 H ATOM 39915 H2 TIP3 3081 -5.038 3.731 -23.660 1.00 0.00 WT3 H ATOM 39916 OH2 TIP3 3084 -3.911 1.046 2.037 1.00 0.00 WT3 O ATOM 39917 H1 TIP3 3084 -1.950 4.198 3.353 1.00 0.00 WT3 H ATOM 39918 H2 TIP3 3084 -16.671 -10.307 -2.439 1.00 0.00 WT3 H ATOM 39919 OH2 TIP3 3085 4.072 5.045 3.777 1.00 0.00 WT3 O ATOM 39920 H1 TIP3 3085 -7.831 -1.234 2.467 1.00 0.00 WT3 H ATOM 39921 H2 TIP3 3085 -0.988 21.654 2.518 1.00 0.00 WT3 H ATOM 39922 OH2 TIP3 3086 2.528 1.295 -0.117 1.00 0.00 WT3 O ATOM 39923 H1 TIP3 3086 -6.101 -7.923 17.345 1.00 0.00 WT3 H ATOM 39924 H2 TIP3 3086 10.301 -0.404 -7.097 1.00 0.00 WT3 H ATOM 39925 OH2 TIP3 3091 -3.362 -1.058 0.339 1.00 0.00 WT3 O ATOM 39926 H1 TIP3 3091 4.666 -7.062 -13.389 1.00 0.00 WT3 H ATOM 39927 H2 TIP3 3091 3.110 -13.583 14.137 1.00 0.00 WT3 H ATOM 39928 OH2 TIP3 3092 -3.277 -3.177 5.668 1.00 0.00 WT3 O ATOM 39929 H1 TIP3 3092 -3.436 4.556 -14.683 1.00 0.00 WT3 H ATOM 39930 H2 TIP3 3092 -1.877 10.829 13.521 1.00 0.00 WT3 H ATOM 39931 OH2 TIP3 3095 -1.234 -4.916 2.327 1.00 0.00 WT3 O ATOM 39932 H1 TIP3 3095 4.660 -3.083 10.693 1.00 0.00 WT3 H ATOM 39933 H2 TIP3 3095 -11.502 -8.552 -4.624 1.00 0.00 WT3 H ATOM 39934 OH2 TIP3 3096 7.586 -1.578 0.481 1.00 0.00 WT3 O ATOM 39935 H1 TIP3 3096 3.533 0.071 -6.507 1.00 0.00 WT3 H ATOM 39936 H2 TIP3 3096 21.806 5.988 -0.328 1.00 0.00 WT3 H ATOM 39937 OH2 TIP3 3099 0.641 -4.251 1.735 1.00 0.00 WT3 O ATOM 39938 H1 TIP3 3099 -12.951 4.914 -9.626 1.00 0.00 WT3 H ATOM 39939 H2 TIP3 3099 4.642 12.637 19.009 1.00 0.00 WT3 H ATOM 39940 OH2 TIP3 3101 1.756 -4.365 1.510 1.00 0.00 WT3 O ATOM 39941 H1 TIP3 3101 0.668 7.039 -3.455 1.00 0.00 WT3 H ATOM 39942 H2 TIP3 3101 10.234 8.261 -9.272 1.00 0.00 WT3 H ATOM 39943 OH2 TIP3 3103 5.344 0.641 3.456 1.00 0.00 WT3 O ATOM 39944 H1 TIP3 3103 -17.183 4.554 18.802 1.00 0.00 WT3 H ATOM 39945 H2 TIP3 3103 -2.000 -25.613 -1.755 1.00 0.00 WT3 H ATOM 39946 OH2 TIP3 3104 -7.361 4.713 -2.576 1.00 0.00 WT3 O ATOM 39947 H1 TIP3 3104 -9.166 -14.245 -8.117 1.00 0.00 WT3 H ATOM 39948 H2 TIP3 3104 1.398 14.801 6.473 1.00 0.00 WT3 H ATOM 39949 OH2 TIP3 3105 1.341 -1.136 5.891 1.00 0.00 WT3 O ATOM 39950 H1 TIP3 3105 13.324 -0.286 -0.406 1.00 0.00 WT3 H ATOM 39951 H2 TIP3 3105 19.941 1.080 37.626 1.00 0.00 WT3 H ATOM 39952 OH2 TIP3 3107 0.682 2.255 -0.397 1.00 0.00 WT3 O ATOM 39953 H1 TIP3 3107 -7.292 -13.780 4.782 1.00 0.00 WT3 H ATOM 39954 H2 TIP3 3107 8.787 1.437 -19.171 1.00 0.00 WT3 H ATOM 39955 OH2 TIP3 3108 -1.251 3.778 0.361 1.00 0.00 WT3 O ATOM 39956 H1 TIP3 3108 -5.731 15.798 7.959 1.00 0.00 WT3 H ATOM 39957 H2 TIP3 3108 4.636 15.196 -16.962 1.00 0.00 WT3 H ATOM 39958 OH2 TIP3 3109 -2.445 3.203 0.250 1.00 0.00 WT3 O ATOM 39959 H1 TIP3 3109 5.159 7.882 -18.303 1.00 0.00 WT3 H ATOM 39960 H2 TIP3 3109 -11.316 -18.721 -8.549 1.00 0.00 WT3 H ATOM 39961 OH2 TIP3 3111 -3.488 -1.191 0.612 1.00 0.00 WT3 O ATOM 39962 H1 TIP3 3111 -2.246 15.359 -14.104 1.00 0.00 WT3 H ATOM 39963 H2 TIP3 3111 -25.408 -5.983 1.988 1.00 0.00 WT3 H ATOM 39964 OH2 TIP3 3112 -0.546 2.182 2.355 1.00 0.00 WT3 O ATOM 39965 H1 TIP3 3112 -2.032 -0.445 19.046 1.00 0.00 WT3 H ATOM 39966 H2 TIP3 3112 24.158 12.674 -2.941 1.00 0.00 WT3 H ATOM 39967 OH2 TIP3 3113 -1.465 -0.130 -7.966 1.00 0.00 WT3 O ATOM 39968 H1 TIP3 3113 2.450 -7.129 0.106 1.00 0.00 WT3 H ATOM 39969 H2 TIP3 3113 -1.841 6.735 -28.932 1.00 0.00 WT3 H ATOM 39970 OH2 TIP3 3114 1.360 3.907 2.460 1.00 0.00 WT3 O ATOM 39971 H1 TIP3 3114 1.963 6.098 -4.179 1.00 0.00 WT3 H ATOM 39972 H2 TIP3 3114 2.216 6.588 -4.668 1.00 0.00 WT3 H ATOM 39973 OH2 TIP3 3115 1.881 -4.356 -4.766 1.00 0.00 WT3 O ATOM 39974 H1 TIP3 3115 8.602 -6.518 -4.731 1.00 0.00 WT3 H ATOM 39975 H2 TIP3 3115 -7.544 -4.283 11.442 1.00 0.00 WT3 H ATOM 39976 OH2 TIP3 3116 0.239 3.892 -1.170 1.00 0.00 WT3 O ATOM 39977 H1 TIP3 3116 9.479 17.548 1.838 1.00 0.00 WT3 H ATOM 39978 H2 TIP3 3116 5.833 10.406 17.653 1.00 0.00 WT3 H ATOM 39979 OH2 TIP3 3119 -2.804 -0.670 -2.369 1.00 0.00 WT3 O ATOM 39980 H1 TIP3 3119 -6.161 -2.073 -9.620 1.00 0.00 WT3 H ATOM 39981 H2 TIP3 3119 -13.294 7.471 -7.460 1.00 0.00 WT3 H ATOM 39982 OH2 TIP3 3121 1.776 1.877 -1.244 1.00 0.00 WT3 O ATOM 39983 H1 TIP3 3121 11.996 6.046 0.931 1.00 0.00 WT3 H ATOM 39984 H2 TIP3 3121 3.342 -8.535 1.496 1.00 0.00 WT3 H ATOM 39985 OH2 TIP3 3124 7.075 6.319 1.628 1.00 0.00 WT3 O ATOM 39986 H1 TIP3 3124 5.861 6.561 -5.224 1.00 0.00 WT3 H ATOM 39987 H2 TIP3 3124 14.254 7.002 3.516 1.00 0.00 WT3 H ATOM 39988 OH2 TIP3 3129 -0.333 1.888 6.357 1.00 0.00 WT3 O ATOM 39989 H1 TIP3 3129 18.132 12.179 -4.394 1.00 0.00 WT3 H ATOM 39990 H2 TIP3 3129 -16.706 23.233 7.644 1.00 0.00 WT3 H ATOM 39991 OH2 TIP3 3131 -0.370 1.098 -7.238 1.00 0.00 WT3 O ATOM 39992 H1 TIP3 3131 17.412 -0.673 2.762 1.00 0.00 WT3 H ATOM 39993 H2 TIP3 3131 15.265 -0.572 1.539 1.00 0.00 WT3 H ATOM 39994 OH2 TIP3 3133 2.282 -3.190 3.125 1.00 0.00 WT3 O ATOM 39995 H1 TIP3 3133 -11.368 4.296 8.455 1.00 0.00 WT3 H ATOM 39996 H2 TIP3 3133 9.727 -5.867 2.978 1.00 0.00 WT3 H ATOM 39997 OH2 TIP3 3134 2.417 -4.467 -12.039 1.00 0.00 WT3 O ATOM 39998 H1 TIP3 3134 -2.185 13.622 3.758 1.00 0.00 WT3 H ATOM 39999 H2 TIP3 3134 23.465 -6.660 14.053 1.00 0.00 WT3 H ATOM 40000 OH2 TIP3 3136 -3.747 -0.833 5.540 1.00 0.00 WT3 O ATOM 40001 H1 TIP3 3136 5.206 -0.087 -0.198 1.00 0.00 WT3 H ATOM 40002 H2 TIP3 3136 8.658 1.276 -1.943 1.00 0.00 WT3 H ATOM 40003 OH2 TIP3 3138 3.862 -1.850 4.606 1.00 0.00 WT3 O ATOM 40004 H1 TIP3 3138 22.348 18.390 2.381 1.00 0.00 WT3 H ATOM 40005 H2 TIP3 3138 -12.768 -16.877 13.932 1.00 0.00 WT3 H ATOM 40006 OH2 TIP3 3139 0.816 3.459 -9.191 1.00 0.00 WT3 O ATOM 40007 H1 TIP3 3139 -12.981 0.586 2.736 1.00 0.00 WT3 H ATOM 40008 H2 TIP3 3139 -8.902 -2.934 12.715 1.00 0.00 WT3 H ATOM 40009 OH2 TIP3 3140 0.529 -5.210 9.136 1.00 0.00 WT3 O ATOM 40010 H1 TIP3 3140 0.787 8.989 4.112 1.00 0.00 WT3 H ATOM 40011 H2 TIP3 3140 7.195 4.546 -2.757 1.00 0.00 WT3 H ATOM 40012 OH2 TIP3 3141 -2.363 -1.031 3.219 1.00 0.00 WT3 O ATOM 40013 H1 TIP3 3141 -3.247 5.196 21.949 1.00 0.00 WT3 H ATOM 40014 H2 TIP3 3141 5.207 -2.682 15.140 1.00 0.00 WT3 H ATOM 40015 OH2 TIP3 3143 -2.910 -11.221 2.116 1.00 0.00 WT3 O ATOM 40016 H1 TIP3 3143 -7.529 -11.087 -5.568 1.00 0.00 WT3 H ATOM 40017 H2 TIP3 3143 6.011 -0.857 20.980 1.00 0.00 WT3 H ATOM 40018 OH2 TIP3 3144 1.284 -4.262 -0.600 1.00 0.00 WT3 O ATOM 40019 H1 TIP3 3144 -3.732 23.463 13.782 1.00 0.00 WT3 H ATOM 40020 H2 TIP3 3144 -18.215 0.587 -26.478 1.00 0.00 WT3 H ATOM 40021 OH2 TIP3 3150 -3.085 -3.292 6.086 1.00 0.00 WT3 O ATOM 40022 H1 TIP3 3150 11.091 -5.626 24.028 1.00 0.00 WT3 H ATOM 40023 H2 TIP3 3150 -6.847 4.797 -3.085 1.00 0.00 WT3 H ATOM 40024 OH2 TIP3 3152 2.570 0.593 4.813 1.00 0.00 WT3 O ATOM 40025 H1 TIP3 3152 4.168 -9.112 18.073 1.00 0.00 WT3 H ATOM 40026 H2 TIP3 3152 0.856 11.144 -4.667 1.00 0.00 WT3 H ATOM 40027 OH2 TIP3 3154 4.319 -1.184 -0.293 1.00 0.00 WT3 O ATOM 40028 H1 TIP3 3154 8.312 -2.320 -4.112 1.00 0.00 WT3 H ATOM 40029 H2 TIP3 3154 -4.207 2.004 6.477 1.00 0.00 WT3 H ATOM 40030 OH2 TIP3 3155 2.126 -3.560 -2.723 1.00 0.00 WT3 O ATOM 40031 H1 TIP3 3155 9.169 -0.551 1.923 1.00 0.00 WT3 H ATOM 40032 H2 TIP3 3155 -9.569 5.136 -16.212 1.00 0.00 WT3 H ATOM 40033 OH2 TIP3 3156 -5.420 2.262 4.812 1.00 0.00 WT3 O ATOM 40034 H1 TIP3 3156 -4.944 -6.308 0.663 1.00 0.00 WT3 H ATOM 40035 H2 TIP3 3156 -8.827 5.785 15.892 1.00 0.00 WT3 H ATOM 40036 OH2 TIP3 3157 -1.253 1.331 1.639 1.00 0.00 WT3 O ATOM 40037 H1 TIP3 3157 -20.709 17.952 6.815 1.00 0.00 WT3 H ATOM 40038 H2 TIP3 3157 7.317 19.293 -18.297 1.00 0.00 WT3 H ATOM 40039 OH2 TIP3 3158 1.013 -3.244 3.340 1.00 0.00 WT3 O ATOM 40040 H1 TIP3 3158 22.436 8.613 7.518 1.00 0.00 WT3 H ATOM 40041 H2 TIP3 3158 0.797 2.883 -15.963 1.00 0.00 WT3 H ATOM 40042 OH2 TIP3 3160 2.772 -4.476 3.846 1.00 0.00 WT3 O ATOM 40043 H1 TIP3 3160 -16.022 -2.638 -3.164 1.00 0.00 WT3 H ATOM 40044 H2 TIP3 3160 6.513 -23.548 -4.722 1.00 0.00 WT3 H ATOM 40045 OH2 TIP3 3161 -3.835 -3.459 -5.333 1.00 0.00 WT3 O ATOM 40046 H1 TIP3 3161 -18.920 2.575 3.154 1.00 0.00 WT3 H ATOM 40047 H2 TIP3 3161 9.461 -2.043 7.876 1.00 0.00 WT3 H ATOM 40048 OH2 TIP3 3162 0.765 -0.218 -2.656 1.00 0.00 WT3 O ATOM 40049 H1 TIP3 3162 3.915 10.441 -18.178 1.00 0.00 WT3 H ATOM 40050 H2 TIP3 3162 3.485 -10.086 11.121 1.00 0.00 WT3 H ATOM 40051 OH2 TIP3 3164 -5.585 4.677 -3.065 1.00 0.00 WT3 O ATOM 40052 H1 TIP3 3164 -7.642 0.500 6.268 1.00 0.00 WT3 H ATOM 40053 H2 TIP3 3164 -0.671 12.308 -4.823 1.00 0.00 WT3 H ATOM 40054 OH2 TIP3 3167 -4.308 -1.447 -2.007 1.00 0.00 WT3 O ATOM 40055 H1 TIP3 3167 0.251 -11.617 -22.939 1.00 0.00 WT3 H ATOM 40056 H2 TIP3 3167 8.703 15.676 0.656 1.00 0.00 WT3 H ATOM 40057 OH2 TIP3 3169 -2.459 1.663 1.161 1.00 0.00 WT3 O ATOM 40058 H1 TIP3 3169 17.566 -7.595 -3.481 1.00 0.00 WT3 H ATOM 40059 H2 TIP3 3169 11.976 -6.959 -3.038 1.00 0.00 WT3 H ATOM 40060 OH2 TIP3 3173 3.331 2.455 1.503 1.00 0.00 WT3 O ATOM 40061 H1 TIP3 3173 4.061 0.757 2.602 1.00 0.00 WT3 H ATOM 40062 H2 TIP3 3173 -1.191 20.846 -7.249 1.00 0.00 WT3 H ATOM 40063 OH2 TIP3 3174 -2.037 3.766 4.733 1.00 0.00 WT3 O ATOM 40064 H1 TIP3 3174 4.155 4.496 0.687 1.00 0.00 WT3 H ATOM 40065 H2 TIP3 3174 -1.938 -7.646 -2.467 1.00 0.00 WT3 H ATOM 40066 OH2 TIP3 3175 -0.381 -4.736 -3.556 1.00 0.00 WT3 O ATOM 40067 H1 TIP3 3175 -11.400 -17.534 8.340 1.00 0.00 WT3 H ATOM 40068 H2 TIP3 3175 -18.861 -7.485 -9.277 1.00 0.00 WT3 H ATOM 40069 OH2 TIP3 3176 -5.117 -5.964 -3.526 1.00 0.00 WT3 O ATOM 40070 H1 TIP3 3176 1.234 -13.065 -12.577 1.00 0.00 WT3 H ATOM 40071 H2 TIP3 3176 3.189 0.471 0.150 1.00 0.00 WT3 H ATOM 40072 OH2 TIP3 3177 -4.034 -9.752 0.324 1.00 0.00 WT3 O ATOM 40073 H1 TIP3 3177 7.332 15.417 1.311 1.00 0.00 WT3 H ATOM 40074 H2 TIP3 3177 -25.572 -3.050 15.488 1.00 0.00 WT3 H ATOM 40075 OH2 TIP3 3178 0.135 3.282 -1.787 1.00 0.00 WT3 O ATOM 40076 H1 TIP3 3178 -1.111 9.471 13.616 1.00 0.00 WT3 H ATOM 40077 H2 TIP3 3178 -2.071 -22.534 3.031 1.00 0.00 WT3 H ATOM 40078 OH2 TIP3 3179 -4.543 -0.439 -4.801 1.00 0.00 WT3 O ATOM 40079 H1 TIP3 3179 -10.393 -10.958 -5.930 1.00 0.00 WT3 H ATOM 40080 H2 TIP3 3179 -1.205 7.700 7.843 1.00 0.00 WT3 H ATOM 40081 OH2 TIP3 3180 -3.355 4.092 -3.318 1.00 0.00 WT3 O ATOM 40082 H1 TIP3 3180 -20.673 34.312 23.290 1.00 0.00 WT3 H ATOM 40083 H2 TIP3 3180 -5.721 -5.977 10.181 1.00 0.00 WT3 H ATOM 40084 OH2 TIP3 3181 -3.806 0.823 1.251 1.00 0.00 WT3 O ATOM 40085 H1 TIP3 3181 -1.558 -1.324 4.303 1.00 0.00 WT3 H ATOM 40086 H2 TIP3 3181 6.006 -17.101 -10.801 1.00 0.00 WT3 H ATOM 40087 OH2 TIP3 3182 1.460 5.349 -2.174 1.00 0.00 WT3 O ATOM 40088 H1 TIP3 3182 -5.794 -8.088 -3.238 1.00 0.00 WT3 H ATOM 40089 H2 TIP3 3182 -0.622 -4.909 -0.584 1.00 0.00 WT3 H ATOM 40090 OH2 TIP3 3184 7.413 -3.554 3.557 1.00 0.00 WT3 O ATOM 40091 H1 TIP3 3184 3.051 -4.317 1.235 1.00 0.00 WT3 H ATOM 40092 H2 TIP3 3184 5.771 -5.065 2.588 1.00 0.00 WT3 H ATOM 40093 OH2 TIP3 3185 -4.135 -1.919 -1.629 1.00 0.00 WT3 O ATOM 40094 H1 TIP3 3185 -9.740 3.296 -3.631 1.00 0.00 WT3 H ATOM 40095 H2 TIP3 3185 -9.271 5.255 -8.318 1.00 0.00 WT3 H ATOM 40096 OH2 TIP3 3187 -0.307 -1.992 3.796 1.00 0.00 WT3 O ATOM 40097 H1 TIP3 3187 -10.297 16.261 -3.669 1.00 0.00 WT3 H ATOM 40098 H2 TIP3 3187 -23.766 -7.837 7.787 1.00 0.00 WT3 H ATOM 40099 OH2 TIP3 3188 -7.269 5.772 -1.268 1.00 0.00 WT3 O ATOM 40100 H1 TIP3 3188 6.154 -10.436 -9.253 1.00 0.00 WT3 H ATOM 40101 H2 TIP3 3188 7.912 -11.911 -10.710 1.00 0.00 WT3 H ATOM 40102 OH2 TIP3 3189 0.210 0.792 3.020 1.00 0.00 WT3 O ATOM 40103 H1 TIP3 3189 -6.317 0.450 9.122 1.00 0.00 WT3 H ATOM 40104 H2 TIP3 3189 5.299 7.488 -4.557 1.00 0.00 WT3 H ATOM 40105 OH2 TIP3 3192 5.954 -1.152 7.034 1.00 0.00 WT3 O ATOM 40106 H1 TIP3 3192 5.131 5.992 11.204 1.00 0.00 WT3 H ATOM 40107 H2 TIP3 3192 6.703 -3.206 3.390 1.00 0.00 WT3 H ATOM 40108 OH2 TIP3 3193 -1.694 2.687 3.390 1.00 0.00 WT3 O ATOM 40109 H1 TIP3 3193 -9.576 14.008 13.855 1.00 0.00 WT3 H ATOM 40110 H2 TIP3 3193 6.327 13.725 -6.141 1.00 0.00 WT3 H ATOM 40111 OH2 TIP3 3194 9.876 2.512 -2.059 1.00 0.00 WT3 O ATOM 40112 H1 TIP3 3194 -43.666 -6.277 -9.140 1.00 0.00 WT3 H ATOM 40113 H2 TIP3 3194 22.793 -2.445 -7.432 1.00 0.00 WT3 H ATOM 40114 OH2 TIP3 3195 -5.188 -2.394 -2.346 1.00 0.00 WT3 O ATOM 40115 H1 TIP3 3195 -0.164 8.060 10.869 1.00 0.00 WT3 H ATOM 40116 H2 TIP3 3195 -2.452 1.624 2.048 1.00 0.00 WT3 H ATOM 40117 OH2 TIP3 3196 3.807 0.097 -3.244 1.00 0.00 WT3 O ATOM 40118 H1 TIP3 3196 -4.793 4.079 -5.584 1.00 0.00 WT3 H ATOM 40119 H2 TIP3 3196 -6.877 10.000 -11.029 1.00 0.00 WT3 H ATOM 40120 OH2 TIP3 3198 -6.698 3.257 -5.205 1.00 0.00 WT3 O ATOM 40121 H1 TIP3 3198 -7.477 7.770 14.515 1.00 0.00 WT3 H ATOM 40122 H2 TIP3 3198 -5.072 10.317 11.589 1.00 0.00 WT3 H ATOM 40123 OH2 TIP3 3200 4.316 2.129 0.771 1.00 0.00 WT3 O ATOM 40124 H1 TIP3 3200 -6.026 -14.440 -9.304 1.00 0.00 WT3 H ATOM 40125 H2 TIP3 3200 -9.653 -14.923 -12.176 1.00 0.00 WT3 H ATOM 40126 OH2 TIP3 3201 -2.938 -7.301 1.074 1.00 0.00 WT3 O ATOM 40127 H1 TIP3 3201 -14.137 -15.338 -2.472 1.00 0.00 WT3 H ATOM 40128 H2 TIP3 3201 -3.598 12.641 10.979 1.00 0.00 WT3 H ATOM 40129 OH2 TIP3 3202 -2.937 6.883 3.885 1.00 0.00 WT3 O ATOM 40130 H1 TIP3 3202 0.806 9.513 -20.763 1.00 0.00 WT3 H ATOM 40131 H2 TIP3 3202 -1.351 7.026 8.833 1.00 0.00 WT3 H ATOM 40132 OH2 TIP3 3203 4.141 -4.278 1.977 1.00 0.00 WT3 O ATOM 40133 H1 TIP3 3203 -18.099 5.477 -23.551 1.00 0.00 WT3 H ATOM 40134 H2 TIP3 3203 -5.195 -12.911 -3.987 1.00 0.00 WT3 H ATOM 40135 OH2 TIP3 3204 2.579 3.131 0.157 1.00 0.00 WT3 O ATOM 40136 H1 TIP3 3204 24.242 -14.156 -5.026 1.00 0.00 WT3 H ATOM 40137 H2 TIP3 3204 -8.398 9.976 2.975 1.00 0.00 WT3 H ATOM 40138 OH2 TIP3 3205 -7.665 -1.999 6.465 1.00 0.00 WT3 O ATOM 40139 H1 TIP3 3205 -12.637 3.570 -4.250 1.00 0.00 WT3 H ATOM 40140 H2 TIP3 3205 -8.327 -6.872 10.828 1.00 0.00 WT3 H ATOM 40141 OH2 TIP3 3206 5.468 1.630 3.164 1.00 0.00 WT3 O ATOM 40142 H1 TIP3 3206 -4.798 -13.296 -15.451 1.00 0.00 WT3 H ATOM 40143 H2 TIP3 3206 16.899 12.168 -12.377 1.00 0.00 WT3 H ATOM 40144 OH2 TIP3 3208 7.143 3.123 9.260 1.00 0.00 WT3 O ATOM 40145 H1 TIP3 3208 -16.169 -4.418 22.376 1.00 0.00 WT3 H ATOM 40146 H2 TIP3 3208 -8.821 4.453 -1.200 1.00 0.00 WT3 H ATOM 40147 OH2 TIP3 3209 -6.104 -0.789 -2.615 1.00 0.00 WT3 O ATOM 40148 H1 TIP3 3209 6.928 38.170 14.717 1.00 0.00 WT3 H ATOM 40149 H2 TIP3 3209 -4.591 0.126 3.399 1.00 0.00 WT3 H ATOM 40150 OH2 TIP3 3210 -0.430 -3.518 -2.013 1.00 0.00 WT3 O ATOM 40151 H1 TIP3 3210 8.853 1.023 -3.347 1.00 0.00 WT3 H ATOM 40152 H2 TIP3 3210 7.854 34.670 19.127 1.00 0.00 WT3 H ATOM 40153 OH2 TIP3 3211 7.125 -1.775 -4.476 1.00 0.00 WT3 O ATOM 40154 H1 TIP3 3211 6.684 -16.858 23.753 1.00 0.00 WT3 H ATOM 40155 H2 TIP3 3211 6.142 13.278 2.825 1.00 0.00 WT3 H ATOM 40156 OH2 TIP3 3212 1.334 5.448 4.039 1.00 0.00 WT3 O ATOM 40157 H1 TIP3 3212 1.055 14.353 3.135 1.00 0.00 WT3 H ATOM 40158 H2 TIP3 3212 -0.045 11.686 1.100 1.00 0.00 WT3 H ATOM 40159 OH2 TIP3 3213 3.957 -6.429 4.969 1.00 0.00 WT3 O ATOM 40160 H1 TIP3 3213 -31.927 0.321 -12.166 1.00 0.00 WT3 H ATOM 40161 H2 TIP3 3213 10.719 -10.393 -6.201 1.00 0.00 WT3 H ATOM 40162 OH2 TIP3 3214 1.775 3.250 0.111 1.00 0.00 WT3 O ATOM 40163 H1 TIP3 3214 -1.542 -11.937 0.940 1.00 0.00 WT3 H ATOM 40164 H2 TIP3 3214 -22.892 5.859 19.116 1.00 0.00 WT3 H ATOM 40165 OH2 TIP3 3215 -1.654 0.792 7.863 1.00 0.00 WT3 O ATOM 40166 H1 TIP3 3215 -8.490 4.405 1.256 1.00 0.00 WT3 H ATOM 40167 H2 TIP3 3215 6.596 13.217 12.046 1.00 0.00 WT3 H ATOM 40168 OH2 TIP3 3216 -4.764 -2.774 3.522 1.00 0.00 WT3 O ATOM 40169 H1 TIP3 3216 -12.526 -3.821 -7.473 1.00 0.00 WT3 H ATOM 40170 H2 TIP3 3216 12.365 17.153 -1.449 1.00 0.00 WT3 H ATOM 40171 OH2 TIP3 3218 3.256 0.657 0.112 1.00 0.00 WT3 O ATOM 40172 H1 TIP3 3218 14.661 -8.191 15.035 1.00 0.00 WT3 H ATOM 40173 H2 TIP3 3218 10.562 -12.444 -16.391 1.00 0.00 WT3 H ATOM 40174 OH2 TIP3 3219 -3.985 2.275 -0.749 1.00 0.00 WT3 O ATOM 40175 H1 TIP3 3219 5.496 -5.342 -1.642 1.00 0.00 WT3 H ATOM 40176 H2 TIP3 3219 -11.832 3.216 -2.091 1.00 0.00 WT3 H ATOM 40177 OH2 TIP3 3221 -0.754 -3.584 -2.826 1.00 0.00 WT3 O ATOM 40178 H1 TIP3 3221 -9.182 -2.757 8.455 1.00 0.00 WT3 H ATOM 40179 H2 TIP3 3221 -5.576 -3.660 -8.968 1.00 0.00 WT3 H ATOM 40180 OH2 TIP3 3222 0.867 -0.294 2.595 1.00 0.00 WT3 O ATOM 40181 H1 TIP3 3222 1.500 -12.994 -3.742 1.00 0.00 WT3 H ATOM 40182 H2 TIP3 3222 8.646 5.111 2.891 1.00 0.00 WT3 H ATOM 40183 OH2 TIP3 3223 2.451 4.347 -5.596 1.00 0.00 WT3 O ATOM 40184 H1 TIP3 3223 2.735 8.032 -5.218 1.00 0.00 WT3 H ATOM 40185 H2 TIP3 3223 15.205 36.749 12.797 1.00 0.00 WT3 H ATOM 40186 OH2 TIP3 3224 5.242 -4.033 5.973 1.00 0.00 WT3 O ATOM 40187 H1 TIP3 3224 -7.441 7.904 -0.835 1.00 0.00 WT3 H ATOM 40188 H2 TIP3 3224 16.838 -27.797 0.901 1.00 0.00 WT3 H ATOM 40189 OH2 TIP3 3225 -2.096 0.599 2.103 1.00 0.00 WT3 O ATOM 40190 H1 TIP3 3225 9.186 0.212 6.462 1.00 0.00 WT3 H ATOM 40191 H2 TIP3 3225 1.430 3.374 28.387 1.00 0.00 WT3 H ATOM 40192 OH2 TIP3 3227 -2.737 -1.453 -1.668 1.00 0.00 WT3 O ATOM 40193 H1 TIP3 3227 -9.989 -2.017 2.396 1.00 0.00 WT3 H ATOM 40194 H2 TIP3 3227 -3.300 -11.813 -2.255 1.00 0.00 WT3 H ATOM 40195 OH2 TIP3 3228 -3.087 -1.330 1.269 1.00 0.00 WT3 O ATOM 40196 H1 TIP3 3228 -6.058 -0.107 -17.527 1.00 0.00 WT3 H ATOM 40197 H2 TIP3 3228 -5.425 8.233 -9.841 1.00 0.00 WT3 H ATOM 40198 OH2 TIP3 3229 1.553 1.004 -1.013 1.00 0.00 WT3 O ATOM 40199 H1 TIP3 3229 -2.539 -7.038 20.663 1.00 0.00 WT3 H ATOM 40200 H2 TIP3 3229 1.486 13.308 -2.495 1.00 0.00 WT3 H ATOM 40201 OH2 TIP3 3230 1.202 1.282 -4.410 1.00 0.00 WT3 O ATOM 40202 H1 TIP3 3230 12.229 20.915 9.907 1.00 0.00 WT3 H ATOM 40203 H2 TIP3 3230 13.450 1.704 3.079 1.00 0.00 WT3 H ATOM 40204 OH2 TIP3 3231 0.490 2.104 0.257 1.00 0.00 WT3 O ATOM 40205 H1 TIP3 3231 -0.090 -17.499 -0.052 1.00 0.00 WT3 H ATOM 40206 H2 TIP3 3231 -11.329 22.431 10.977 1.00 0.00 WT3 H ATOM 40207 OH2 TIP3 3232 -1.744 -0.518 2.342 1.00 0.00 WT3 O ATOM 40208 H1 TIP3 3232 10.651 0.727 9.324 1.00 0.00 WT3 H ATOM 40209 H2 TIP3 3232 -2.290 9.872 -5.059 1.00 0.00 WT3 H ATOM 40210 OH2 TIP3 3233 1.780 0.154 -3.162 1.00 0.00 WT3 O ATOM 40211 H1 TIP3 3233 -0.121 2.997 -21.620 1.00 0.00 WT3 H ATOM 40212 H2 TIP3 3233 16.342 15.657 0.812 1.00 0.00 WT3 H ATOM 40213 OH2 TIP3 3234 3.187 0.642 1.857 1.00 0.00 WT3 O ATOM 40214 H1 TIP3 3234 -6.979 2.362 -0.323 1.00 0.00 WT3 H ATOM 40215 H2 TIP3 3234 11.486 0.222 3.526 1.00 0.00 WT3 H ATOM 40216 OH2 TIP3 3235 1.377 -2.705 -4.170 1.00 0.00 WT3 O ATOM 40217 H1 TIP3 3235 -10.195 9.163 -15.530 1.00 0.00 WT3 H ATOM 40218 H2 TIP3 3235 -15.030 21.346 0.410 1.00 0.00 WT3 H ATOM 40219 OH2 TIP3 3236 0.508 5.126 10.302 1.00 0.00 WT3 O ATOM 40220 H1 TIP3 3236 -12.944 -14.463 -0.265 1.00 0.00 WT3 H ATOM 40221 H2 TIP3 3236 16.029 5.241 7.723 1.00 0.00 WT3 H ATOM 40222 OH2 TIP3 3237 -0.478 -1.840 2.058 1.00 0.00 WT3 O ATOM 40223 H1 TIP3 3237 -1.021 -1.866 -18.510 1.00 0.00 WT3 H ATOM 40224 H2 TIP3 3237 0.438 -2.017 -1.983 1.00 0.00 WT3 H ATOM 40225 OH2 TIP3 3238 5.483 -1.858 -1.055 1.00 0.00 WT3 O ATOM 40226 H1 TIP3 3238 3.486 -0.146 -1.752 1.00 0.00 WT3 H ATOM 40227 H2 TIP3 3238 5.479 -10.492 -0.644 1.00 0.00 WT3 H ATOM 40228 OH2 TIP3 3240 -8.954 -0.328 -3.688 1.00 0.00 WT3 O ATOM 40229 H1 TIP3 3240 -14.799 -5.807 -6.412 1.00 0.00 WT3 H ATOM 40230 H2 TIP3 3240 -16.050 -5.344 -10.277 1.00 0.00 WT3 H ATOM 40231 OH2 TIP3 3242 -1.035 4.905 3.464 1.00 0.00 WT3 O ATOM 40232 H1 TIP3 3242 -6.067 5.400 3.411 1.00 0.00 WT3 H ATOM 40233 H2 TIP3 3242 -6.587 5.328 0.257 1.00 0.00 WT3 H ATOM 40234 OH2 TIP3 3244 1.244 -1.126 9.081 1.00 0.00 WT3 O ATOM 40235 H1 TIP3 3244 -11.672 -8.002 10.787 1.00 0.00 WT3 H ATOM 40236 H2 TIP3 3244 3.972 4.881 10.031 1.00 0.00 WT3 H ATOM 40237 OH2 TIP3 3245 -7.290 -3.648 -4.526 1.00 0.00 WT3 O ATOM 40238 H1 TIP3 3245 -3.761 -5.794 7.994 1.00 0.00 WT3 H ATOM 40239 H2 TIP3 3245 -4.267 -3.474 -9.914 1.00 0.00 WT3 H ATOM 40240 OH2 TIP3 3246 -0.067 -0.084 1.049 1.00 0.00 WT3 O ATOM 40241 H1 TIP3 3246 8.265 4.235 -5.256 1.00 0.00 WT3 H ATOM 40242 H2 TIP3 3246 5.655 6.874 -3.026 1.00 0.00 WT3 H ATOM 40243 OH2 TIP3 3247 -1.324 0.088 -5.081 1.00 0.00 WT3 O ATOM 40244 H1 TIP3 3247 -16.938 -1.007 -5.108 1.00 0.00 WT3 H ATOM 40245 H2 TIP3 3247 5.601 -15.412 3.820 1.00 0.00 WT3 H ATOM 40246 OH2 TIP3 3248 0.880 -4.055 -5.258 1.00 0.00 WT3 O ATOM 40247 H1 TIP3 3248 4.911 8.693 16.449 1.00 0.00 WT3 H ATOM 40248 H2 TIP3 3248 -3.810 -17.715 -34.012 1.00 0.00 WT3 H ATOM 40249 OH2 TIP3 3249 3.766 1.605 -0.965 1.00 0.00 WT3 O ATOM 40250 H1 TIP3 3249 -8.516 4.286 -9.358 1.00 0.00 WT3 H ATOM 40251 H2 TIP3 3249 -0.751 8.880 -6.139 1.00 0.00 WT3 H ATOM 40252 OH2 TIP3 3250 2.537 4.744 8.852 1.00 0.00 WT3 O ATOM 40253 H1 TIP3 3250 4.354 4.272 9.559 1.00 0.00 WT3 H ATOM 40254 H2 TIP3 3250 2.530 8.599 8.888 1.00 0.00 WT3 H ATOM 40255 OH2 TIP3 3251 0.573 3.434 3.473 1.00 0.00 WT3 O ATOM 40256 H1 TIP3 3251 12.781 1.346 12.415 1.00 0.00 WT3 H ATOM 40257 H2 TIP3 3251 -2.397 5.782 -0.369 1.00 0.00 WT3 H ATOM 40258 OH2 TIP3 3252 -5.798 1.301 -2.930 1.00 0.00 WT3 O ATOM 40259 H1 TIP3 3252 -3.426 6.193 5.538 1.00 0.00 WT3 H ATOM 40260 H2 TIP3 3252 1.730 12.578 -11.786 1.00 0.00 WT3 H ATOM 40261 OH2 TIP3 3253 1.410 1.069 0.540 1.00 0.00 WT3 O ATOM 40262 H1 TIP3 3253 2.846 7.642 6.106 1.00 0.00 WT3 H ATOM 40263 H2 TIP3 3253 -0.599 -16.650 -13.258 1.00 0.00 WT3 H ATOM 40264 OH2 TIP3 3254 0.514 0.221 -4.448 1.00 0.00 WT3 O ATOM 40265 H1 TIP3 3254 -12.539 23.071 -18.244 1.00 0.00 WT3 H ATOM 40266 H2 TIP3 3254 -4.573 -11.030 1.901 1.00 0.00 WT3 H ATOM 40267 OH2 TIP3 3255 -0.083 2.681 4.039 1.00 0.00 WT3 O ATOM 40268 H1 TIP3 3255 -5.388 9.399 -9.778 1.00 0.00 WT3 H ATOM 40269 H2 TIP3 3255 -0.411 -9.896 5.395 1.00 0.00 WT3 H ATOM 40270 OH2 TIP3 3256 -0.472 5.799 5.843 1.00 0.00 WT3 O ATOM 40271 H1 TIP3 3256 -5.905 1.238 7.406 1.00 0.00 WT3 H ATOM 40272 H2 TIP3 3256 9.726 27.503 10.824 1.00 0.00 WT3 H ATOM 40273 OH2 TIP3 3257 -0.094 -3.340 3.999 1.00 0.00 WT3 O ATOM 40274 H1 TIP3 3257 -0.942 -4.763 4.391 1.00 0.00 WT3 H ATOM 40275 H2 TIP3 3257 -5.395 -19.320 8.242 1.00 0.00 WT3 H ATOM 40276 OH2 TIP3 3258 -6.509 -0.205 -1.260 1.00 0.00 WT3 O ATOM 40277 H1 TIP3 3258 -8.842 3.381 -0.320 1.00 0.00 WT3 H ATOM 40278 H2 TIP3 3258 -9.928 -10.254 1.136 1.00 0.00 WT3 H ATOM 40279 OH2 TIP3 3259 1.041 -3.546 2.265 1.00 0.00 WT3 O ATOM 40280 H1 TIP3 3259 -0.093 2.654 8.356 1.00 0.00 WT3 H ATOM 40281 H2 TIP3 3259 8.927 -2.290 -3.732 1.00 0.00 WT3 H ATOM 40282 OH2 TIP3 3261 1.401 0.544 -9.291 1.00 0.00 WT3 O ATOM 40283 H1 TIP3 3261 -4.519 14.620 -14.011 1.00 0.00 WT3 H ATOM 40284 H2 TIP3 3261 15.766 4.748 7.081 1.00 0.00 WT3 H ATOM 40285 OH2 TIP3 3262 5.876 0.559 -0.432 1.00 0.00 WT3 O ATOM 40286 H1 TIP3 3262 -11.673 2.969 -4.675 1.00 0.00 WT3 H ATOM 40287 H2 TIP3 3262 -12.200 2.098 8.467 1.00 0.00 WT3 H ATOM 40288 OH2 TIP3 3263 9.462 -3.146 -4.247 1.00 0.00 WT3 O ATOM 40289 H1 TIP3 3263 17.398 -17.593 23.167 1.00 0.00 WT3 H ATOM 40290 H2 TIP3 3263 9.027 10.947 20.859 1.00 0.00 WT3 H ATOM 40291 OH2 TIP3 3266 4.148 0.616 -2.153 1.00 0.00 WT3 O ATOM 40292 H1 TIP3 3266 8.097 6.210 19.646 1.00 0.00 WT3 H ATOM 40293 H2 TIP3 3266 -11.411 -22.442 7.549 1.00 0.00 WT3 H ATOM 40294 OH2 TIP3 3268 3.806 -7.370 6.476 1.00 0.00 WT3 O ATOM 40295 H1 TIP3 3268 -6.943 0.859 0.052 1.00 0.00 WT3 H ATOM 40296 H2 TIP3 3268 -2.378 -3.274 2.558 1.00 0.00 WT3 H ATOM 40297 OH2 TIP3 3269 -3.977 -1.381 11.155 1.00 0.00 WT3 O ATOM 40298 H1 TIP3 3269 10.619 -15.833 -19.288 1.00 0.00 WT3 H ATOM 40299 H2 TIP3 3269 -1.797 36.089 24.641 1.00 0.00 WT3 H ATOM 40300 OH2 TIP3 3271 -4.150 -1.462 0.401 1.00 0.00 WT3 O ATOM 40301 H1 TIP3 3271 1.442 -9.366 2.630 1.00 0.00 WT3 H ATOM 40302 H2 TIP3 3271 1.942 3.764 -16.356 1.00 0.00 WT3 H ATOM 40303 OH2 TIP3 3272 3.072 2.437 -3.360 1.00 0.00 WT3 O ATOM 40304 H1 TIP3 3272 10.103 14.615 3.585 1.00 0.00 WT3 H ATOM 40305 H2 TIP3 3272 0.899 -3.700 -9.463 1.00 0.00 WT3 H ATOM 40306 OH2 TIP3 3273 2.410 -2.298 2.420 1.00 0.00 WT3 O ATOM 40307 H1 TIP3 3273 -0.339 -11.956 10.128 1.00 0.00 WT3 H ATOM 40308 H2 TIP3 3273 6.223 -6.645 12.512 1.00 0.00 WT3 H ATOM 40309 OH2 TIP3 3274 2.851 -4.926 1.486 1.00 0.00 WT3 O ATOM 40310 H1 TIP3 3274 -1.524 -24.731 0.026 1.00 0.00 WT3 H ATOM 40311 H2 TIP3 3274 -4.638 18.761 6.564 1.00 0.00 WT3 H ATOM 40312 OH2 TIP3 3280 3.381 -0.042 -4.142 1.00 0.00 WT3 O ATOM 40313 H1 TIP3 3280 -15.846 4.004 -18.110 1.00 0.00 WT3 H ATOM 40314 H2 TIP3 3280 17.297 -8.936 5.244 1.00 0.00 WT3 H ATOM 40315 OH2 TIP3 3282 -3.347 1.143 -7.214 1.00 0.00 WT3 O ATOM 40316 H1 TIP3 3282 2.265 -7.521 -14.858 1.00 0.00 WT3 H ATOM 40317 H2 TIP3 3282 -6.019 18.499 -12.823 1.00 0.00 WT3 H ATOM 40318 OH2 TIP3 3286 -4.765 5.230 2.578 1.00 0.00 WT3 O ATOM 40319 H1 TIP3 3286 -0.719 -7.134 20.808 1.00 0.00 WT3 H ATOM 40320 H2 TIP3 3286 -10.565 11.183 -16.044 1.00 0.00 WT3 H ATOM 40321 OH2 TIP3 3287 -2.961 4.387 -0.158 1.00 0.00 WT3 O ATOM 40322 H1 TIP3 3287 10.823 8.353 -7.941 1.00 0.00 WT3 H ATOM 40323 H2 TIP3 3287 6.019 11.845 0.952 1.00 0.00 WT3 H ATOM 40324 OH2 TIP3 3291 -6.653 -0.899 -3.846 1.00 0.00 WT3 O ATOM 40325 H1 TIP3 3291 -10.298 0.574 3.617 1.00 0.00 WT3 H ATOM 40326 H2 TIP3 3291 -6.715 0.041 12.194 1.00 0.00 WT3 H ATOM 40327 OH2 TIP3 3292 -0.517 -0.866 4.760 1.00 0.00 WT3 O ATOM 40328 H1 TIP3 3292 -1.124 -12.457 -16.788 1.00 0.00 WT3 H ATOM 40329 H2 TIP3 3292 -11.559 -7.682 -11.397 1.00 0.00 WT3 H ATOM 40330 OH2 TIP3 3293 -4.850 10.721 -5.958 1.00 0.00 WT3 O ATOM 40331 H1 TIP3 3293 -2.222 -8.810 -25.407 1.00 0.00 WT3 H ATOM 40332 H2 TIP3 3293 1.263 3.689 23.727 1.00 0.00 WT3 H ATOM 40333 OH2 TIP3 3294 -0.946 2.920 5.666 1.00 0.00 WT3 O ATOM 40334 H1 TIP3 3294 17.724 -13.374 -7.677 1.00 0.00 WT3 H ATOM 40335 H2 TIP3 3294 24.063 -22.287 -2.739 1.00 0.00 WT3 H ATOM 40336 OH2 TIP3 3295 -2.311 2.957 -2.229 1.00 0.00 WT3 O ATOM 40337 H1 TIP3 3295 3.228 21.237 9.978 1.00 0.00 WT3 H ATOM 40338 H2 TIP3 3295 -18.385 -3.629 -2.279 1.00 0.00 WT3 H ATOM 40339 OH2 TIP3 3296 1.013 3.511 0.458 1.00 0.00 WT3 O ATOM 40340 H1 TIP3 3296 6.791 4.103 -0.529 1.00 0.00 WT3 H ATOM 40341 H2 TIP3 3296 -30.108 -0.328 3.778 1.00 0.00 WT3 H ATOM 40342 OH2 TIP3 3300 4.712 -1.162 -0.661 1.00 0.00 WT3 O ATOM 40343 H1 TIP3 3300 -3.803 14.069 6.166 1.00 0.00 WT3 H ATOM 40344 H2 TIP3 3300 14.370 1.938 -2.284 1.00 0.00 WT3 H ATOM 40345 OH2 TIP3 3301 -2.094 -0.392 -3.600 1.00 0.00 WT3 O ATOM 40346 H1 TIP3 3301 10.557 -1.310 27.566 1.00 0.00 WT3 H ATOM 40347 H2 TIP3 3301 -20.483 7.726 -11.187 1.00 0.00 WT3 H ATOM 40348 OH2 TIP3 3302 -0.316 1.526 0.681 1.00 0.00 WT3 O ATOM 40349 H1 TIP3 3302 13.223 -0.334 24.231 1.00 0.00 WT3 H ATOM 40350 H2 TIP3 3302 -17.876 19.412 -7.891 1.00 0.00 WT3 H ATOM 40351 OH2 TIP3 3303 -3.609 -2.547 2.867 1.00 0.00 WT3 O ATOM 40352 H1 TIP3 3303 -5.418 -10.829 16.870 1.00 0.00 WT3 H ATOM 40353 H2 TIP3 3303 -0.923 17.970 8.875 1.00 0.00 WT3 H ATOM 40354 OH2 TIP3 3304 -3.316 2.487 -0.084 1.00 0.00 WT3 O ATOM 40355 H1 TIP3 3304 -3.351 -9.517 -8.978 1.00 0.00 WT3 H ATOM 40356 H2 TIP3 3304 -3.163 -13.532 -11.585 1.00 0.00 WT3 H ATOM 40357 OH2 TIP3 3305 0.025 -0.227 1.387 1.00 0.00 WT3 O ATOM 40358 H1 TIP3 3305 -20.272 -18.253 -10.984 1.00 0.00 WT3 H ATOM 40359 H2 TIP3 3305 2.476 10.681 -14.454 1.00 0.00 WT3 H ATOM 40360 OH2 TIP3 3306 -0.882 1.797 6.527 1.00 0.00 WT3 O ATOM 40361 H1 TIP3 3306 10.646 -16.738 -10.380 1.00 0.00 WT3 H ATOM 40362 H2 TIP3 3306 -23.843 1.629 2.531 1.00 0.00 WT3 H ATOM 40363 OH2 TIP3 3307 -0.085 7.004 4.046 1.00 0.00 WT3 O ATOM 40364 H1 TIP3 3307 -17.956 -18.746 7.173 1.00 0.00 WT3 H ATOM 40365 H2 TIP3 3307 -10.760 16.066 12.567 1.00 0.00 WT3 H ATOM 40366 OH2 TIP3 3309 1.360 4.699 2.484 1.00 0.00 WT3 O ATOM 40367 H1 TIP3 3309 0.647 1.160 4.723 1.00 0.00 WT3 H ATOM 40368 H2 TIP3 3309 -3.043 5.549 3.793 1.00 0.00 WT3 H ATOM 40369 OH2 TIP3 3310 -6.848 -3.585 2.867 1.00 0.00 WT3 O ATOM 40370 H1 TIP3 3310 0.746 26.979 6.598 1.00 0.00 WT3 H ATOM 40371 H2 TIP3 3310 -33.785 -13.752 27.661 1.00 0.00 WT3 H ATOM 40372 OH2 TIP3 3312 3.460 -3.216 -0.028 1.00 0.00 WT3 O ATOM 40373 H1 TIP3 3312 5.297 -1.096 16.887 1.00 0.00 WT3 H ATOM 40374 H2 TIP3 3312 10.120 9.651 13.465 1.00 0.00 WT3 H ATOM 40375 OH2 TIP3 3313 -0.829 -4.284 2.178 1.00 0.00 WT3 O ATOM 40376 H1 TIP3 3313 -13.257 -18.918 -2.356 1.00 0.00 WT3 H ATOM 40377 H2 TIP3 3313 16.239 14.637 5.684 1.00 0.00 WT3 H ATOM 40378 OH2 TIP3 3316 2.760 -3.608 0.880 1.00 0.00 WT3 O ATOM 40379 H1 TIP3 3316 4.074 -6.157 0.678 1.00 0.00 WT3 H ATOM 40380 H2 TIP3 3316 -0.590 -4.867 0.624 1.00 0.00 WT3 H ATOM 40381 OH2 TIP3 3317 3.082 -0.053 -1.562 1.00 0.00 WT3 O ATOM 40382 H1 TIP3 3317 1.797 2.219 -4.552 1.00 0.00 WT3 H ATOM 40383 H2 TIP3 3317 14.241 -5.694 12.222 1.00 0.00 WT3 H ATOM 40384 OH2 TIP3 3324 -0.894 -1.644 -1.042 1.00 0.00 WT3 O ATOM 40385 H1 TIP3 3324 -18.747 -2.817 -1.868 1.00 0.00 WT3 H ATOM 40386 H2 TIP3 3324 1.586 9.230 8.540 1.00 0.00 WT3 H ATOM 40387 OH2 TIP3 3331 -0.528 3.766 -0.876 1.00 0.00 WT3 O ATOM 40388 H1 TIP3 3331 4.953 -0.517 -2.999 1.00 0.00 WT3 H ATOM 40389 H2 TIP3 3331 -8.619 2.009 -7.013 1.00 0.00 WT3 H ATOM 40390 OH2 TIP3 3334 -1.235 -3.164 2.619 1.00 0.00 WT3 O ATOM 40391 H1 TIP3 3334 -2.186 1.967 22.872 1.00 0.00 WT3 H ATOM 40392 H2 TIP3 3334 -3.230 -1.280 17.133 1.00 0.00 WT3 H ATOM 40393 OH2 TIP3 3335 -6.009 -0.544 4.925 1.00 0.00 WT3 O ATOM 40394 H1 TIP3 3335 -3.363 4.175 5.209 1.00 0.00 WT3 H ATOM 40395 H2 TIP3 3335 -11.242 -0.034 7.893 1.00 0.00 WT3 H ATOM 40396 OH2 TIP3 3338 1.257 -4.216 0.941 1.00 0.00 WT3 O ATOM 40397 H1 TIP3 3338 -14.022 4.687 -1.480 1.00 0.00 WT3 H ATOM 40398 H2 TIP3 3338 -6.246 4.734 4.163 1.00 0.00 WT3 H ATOM 40399 OH2 TIP3 3347 2.444 0.899 1.669 1.00 0.00 WT3 O ATOM 40400 H1 TIP3 3347 0.989 4.565 15.309 1.00 0.00 WT3 H ATOM 40401 H2 TIP3 3347 14.177 4.881 -21.529 1.00 0.00 WT3 H ATOM 40402 OH2 TIP3 3348 6.536 -1.623 -5.271 1.00 0.00 WT3 O ATOM 40403 H1 TIP3 3348 0.572 -4.587 12.455 1.00 0.00 WT3 H ATOM 40404 H2 TIP3 3348 12.390 -13.960 -10.601 1.00 0.00 WT3 H ATOM 40405 OH2 TIP3 3350 7.251 0.042 1.762 1.00 0.00 WT3 O ATOM 40406 H1 TIP3 3350 11.746 -14.347 0.281 1.00 0.00 WT3 H ATOM 40407 H2 TIP3 3350 13.346 10.336 -11.336 1.00 0.00 WT3 H ATOM 40408 OH2 TIP3 3354 1.731 0.675 -0.340 1.00 0.00 WT3 O ATOM 40409 H1 TIP3 3354 3.258 4.959 -29.593 1.00 0.00 WT3 H ATOM 40410 H2 TIP3 3354 -4.661 -5.541 1.363 1.00 0.00 WT3 H ATOM 40411 OH2 TIP3 3367 -0.333 -1.145 -1.250 1.00 0.00 WT3 O ATOM 40412 H1 TIP3 3367 9.653 2.287 -30.257 1.00 0.00 WT3 H ATOM 40413 H2 TIP3 3367 -8.645 11.262 3.755 1.00 0.00 WT3 H ATOM 40414 OH2 TIP3 3369 -4.186 2.854 -3.103 1.00 0.00 WT3 O ATOM 40415 H1 TIP3 3369 9.563 1.074 -0.075 1.00 0.00 WT3 H ATOM 40416 H2 TIP3 3369 6.746 10.985 -13.008 1.00 0.00 WT3 H ATOM 40417 OH2 TIP3 3382 2.879 -2.715 1.156 1.00 0.00 WT3 O ATOM 40418 H1 TIP3 3382 -10.689 -15.449 6.129 1.00 0.00 WT3 H ATOM 40419 H2 TIP3 3382 -17.888 2.178 4.912 1.00 0.00 WT3 H ATOM 40420 OH2 TIP3 3408 7.231 2.326 -7.389 1.00 0.00 WT3 O ATOM 40421 H1 TIP3 3408 -5.061 -4.486 -5.313 1.00 0.00 WT3 H ATOM 40422 H2 TIP3 3408 -0.893 -20.846 -22.044 1.00 0.00 WT3 H ATOM 40423 OH2 TIP3 3426 -2.216 0.105 -1.210 1.00 0.00 WT3 O ATOM 40424 H1 TIP3 3426 -20.285 -4.043 -11.848 1.00 0.00 WT3 H ATOM 40425 H2 TIP3 3426 -10.822 -8.348 -3.590 1.00 0.00 WT3 H ATOM 40426 OH2 TIP3 3440 2.573 3.876 -6.942 1.00 0.00 WT3 O ATOM 40427 H1 TIP3 3440 15.168 9.029 -4.399 1.00 0.00 WT3 H ATOM 40428 H2 TIP3 3440 -8.155 3.961 4.326 1.00 0.00 WT3 H ATOM 40429 OH2 TIP3 3447 -4.302 -9.271 -0.877 1.00 0.00 WT3 O ATOM 40430 H1 TIP3 3447 15.211 -1.034 -1.895 1.00 0.00 WT3 H ATOM 40431 H2 TIP3 3447 4.665 5.743 -7.025 1.00 0.00 WT3 H ATOM 40432 OH2 TIP3 3480 0.366 5.215 -2.105 1.00 0.00 WT3 O ATOM 40433 H1 TIP3 3480 -13.619 -14.401 -2.171 1.00 0.00 WT3 H ATOM 40434 H2 TIP3 3480 -7.065 -17.471 -2.655 1.00 0.00 WT3 H ATOM 40435 OH2 TIP3 3484 -1.334 6.899 0.104 1.00 0.00 WT3 O ATOM 40436 H1 TIP3 3484 8.884 8.820 4.540 1.00 0.00 WT3 H ATOM 40437 H2 TIP3 3484 -2.367 3.215 0.709 1.00 0.00 WT3 H ATOM 40438 OH2 TIP3 3496 6.966 -2.984 1.294 1.00 0.00 WT3 O ATOM 40439 H1 TIP3 3496 -1.222 9.508 1.115 1.00 0.00 WT3 H ATOM 40440 H2 TIP3 3496 -0.541 -0.627 -9.063 1.00 0.00 WT3 H ATOM 40441 OH2 TIP3 3497 0.748 1.192 -1.765 1.00 0.00 WT3 O ATOM 40442 H1 TIP3 3497 -10.159 -4.158 -7.150 1.00 0.00 WT3 H ATOM 40443 H2 TIP3 3497 -6.470 -0.013 -10.489 1.00 0.00 WT3 H ATOM 40444 OH2 TIP3 3511 0.648 0.409 -2.256 1.00 0.00 WT3 O ATOM 40445 H1 TIP3 3511 0.072 -1.281 1.885 1.00 0.00 WT3 H ATOM 40446 H2 TIP3 3511 -5.885 -3.055 -0.357 1.00 0.00 WT3 H ATOM 40447 OH2 TIP3 3513 2.706 2.308 5.856 1.00 0.00 WT3 O ATOM 40448 H1 TIP3 3513 16.543 14.483 2.474 1.00 0.00 WT3 H ATOM 40449 H2 TIP3 3513 -8.409 0.543 27.032 1.00 0.00 WT3 H ATOM 40450 OH2 TIP3 3514 -4.139 3.702 1.599 1.00 0.00 WT3 O ATOM 40451 H1 TIP3 3514 8.673 6.319 -28.472 1.00 0.00 WT3 H ATOM 40452 H2 TIP3 3514 2.096 8.973 16.396 1.00 0.00 WT3 H ATOM 40453 OH2 TIP3 3521 -3.462 0.443 4.242 1.00 0.00 WT3 O ATOM 40454 H1 TIP3 3521 7.611 -32.243 -10.411 1.00 0.00 WT3 H ATOM 40455 H2 TIP3 3521 -6.990 4.412 2.574 1.00 0.00 WT3 H ATOM 40456 OH2 TIP3 3526 1.854 -5.308 -2.973 1.00 0.00 WT3 O ATOM 40457 H1 TIP3 3526 -9.423 -8.256 -9.291 1.00 0.00 WT3 H ATOM 40458 H2 TIP3 3526 -5.507 20.923 -7.067 1.00 0.00 WT3 H ATOM 40459 OH2 TIP3 3527 1.498 1.413 0.163 1.00 0.00 WT3 O ATOM 40460 H1 TIP3 3527 -11.473 -5.338 -5.671 1.00 0.00 WT3 H ATOM 40461 H2 TIP3 3527 5.684 13.168 18.753 1.00 0.00 WT3 H ATOM 40462 OH2 TIP3 3533 -6.830 3.148 3.375 1.00 0.00 WT3 O ATOM 40463 H1 TIP3 3533 -23.146 3.880 -29.681 1.00 0.00 WT3 H ATOM 40464 H2 TIP3 3533 21.857 1.879 -13.600 1.00 0.00 WT3 H ATOM 40465 OH2 TIP3 3534 -5.046 -3.733 6.990 1.00 0.00 WT3 O ATOM 40466 H1 TIP3 3534 4.015 -8.785 -11.970 1.00 0.00 WT3 H ATOM 40467 H2 TIP3 3534 -4.501 -11.217 -2.949 1.00 0.00 WT3 H ATOM 40468 OH2 TIP3 3537 -0.202 1.411 0.681 1.00 0.00 WT3 O ATOM 40469 H1 TIP3 3537 -2.017 7.146 4.670 1.00 0.00 WT3 H ATOM 40470 H2 TIP3 3537 -3.762 -4.479 0.781 1.00 0.00 WT3 H ATOM 40471 OH2 TIP3 3544 -0.206 4.553 4.725 1.00 0.00 WT3 O ATOM 40472 H1 TIP3 3544 -12.724 -7.956 3.566 1.00 0.00 WT3 H ATOM 40473 H2 TIP3 3544 4.290 10.713 6.268 1.00 0.00 WT3 H ATOM 40474 OH2 TIP3 3545 2.134 -3.338 4.634 1.00 0.00 WT3 O ATOM 40475 H1 TIP3 3545 -1.118 4.493 2.873 1.00 0.00 WT3 H ATOM 40476 H2 TIP3 3545 12.805 1.951 5.386 1.00 0.00 WT3 H ATOM 40477 OH2 TIP3 3546 -1.462 3.697 -6.272 1.00 0.00 WT3 O ATOM 40478 H1 TIP3 3546 3.553 5.462 6.171 1.00 0.00 WT3 H ATOM 40479 H2 TIP3 3546 -3.536 4.847 -19.616 1.00 0.00 WT3 H ATOM 40480 OH2 TIP3 3548 -4.972 -7.955 -6.548 1.00 0.00 WT3 O ATOM 40481 H1 TIP3 3548 1.135 0.232 20.634 1.00 0.00 WT3 H ATOM 40482 H2 TIP3 3548 11.228 -16.557 0.947 1.00 0.00 WT3 H ATOM 40483 OH2 TIP3 3552 -1.593 2.631 -0.035 1.00 0.00 WT3 O ATOM 40484 H1 TIP3 3552 -13.712 21.053 1.279 1.00 0.00 WT3 H ATOM 40485 H2 TIP3 3552 -6.011 0.631 9.187 1.00 0.00 WT3 H ATOM 40486 OH2 TIP3 3554 4.076 -2.313 -1.954 1.00 0.00 WT3 O ATOM 40487 H1 TIP3 3554 1.066 0.826 0.994 1.00 0.00 WT3 H ATOM 40488 H2 TIP3 3554 -2.451 -5.306 5.367 1.00 0.00 WT3 H ATOM 40489 OH2 TIP3 3555 2.806 -4.232 -6.847 1.00 0.00 WT3 O ATOM 40490 H1 TIP3 3555 -11.702 -0.619 3.442 1.00 0.00 WT3 H ATOM 40491 H2 TIP3 3555 13.435 -22.132 -1.013 1.00 0.00 WT3 H ATOM 40492 OH2 TIP3 3556 3.240 3.123 2.262 1.00 0.00 WT3 O ATOM 40493 H1 TIP3 3556 10.469 -12.337 7.347 1.00 0.00 WT3 H ATOM 40494 H2 TIP3 3556 12.400 6.454 -15.048 1.00 0.00 WT3 H ATOM 40495 OH2 TIP3 3561 -2.465 3.101 2.143 1.00 0.00 WT3 O ATOM 40496 H1 TIP3 3561 -22.625 -7.357 13.109 1.00 0.00 WT3 H ATOM 40497 H2 TIP3 3561 16.114 12.317 -9.367 1.00 0.00 WT3 H ATOM 40498 OH2 TIP3 3566 -2.112 1.420 -1.268 1.00 0.00 WT3 O ATOM 40499 H1 TIP3 3566 -0.388 2.314 -12.055 1.00 0.00 WT3 H ATOM 40500 H2 TIP3 3566 -0.013 -6.675 11.797 1.00 0.00 WT3 H ATOM 40501 OH2 TIP3 3569 0.228 -1.971 -1.458 1.00 0.00 WT3 O ATOM 40502 H1 TIP3 3569 -5.255 -15.032 -2.963 1.00 0.00 WT3 H ATOM 40503 H2 TIP3 3569 -0.530 2.916 -3.032 1.00 0.00 WT3 H ATOM 40504 OH2 TIP3 3571 -6.293 -4.985 -0.642 1.00 0.00 WT3 O ATOM 40505 H1 TIP3 3571 14.358 -8.251 3.366 1.00 0.00 WT3 H ATOM 40506 H2 TIP3 3571 -6.446 -6.657 -12.840 1.00 0.00 WT3 H ATOM 40507 OH2 TIP3 3573 -2.883 -3.072 1.721 1.00 0.00 WT3 O ATOM 40508 H1 TIP3 3573 -1.248 -14.666 19.414 1.00 0.00 WT3 H ATOM 40509 H2 TIP3 3573 -2.230 18.449 6.822 1.00 0.00 WT3 H ATOM 40510 OH2 TIP3 3575 -1.520 8.135 3.128 1.00 0.00 WT3 O ATOM 40511 H1 TIP3 3575 2.412 8.145 -18.707 1.00 0.00 WT3 H ATOM 40512 H2 TIP3 3575 5.361 18.609 1.872 1.00 0.00 WT3 H ATOM 40513 OH2 TIP3 3579 -7.013 -2.544 3.606 1.00 0.00 WT3 O ATOM 40514 H1 TIP3 3579 1.309 5.169 6.994 1.00 0.00 WT3 H ATOM 40515 H2 TIP3 3579 -11.939 -6.118 14.110 1.00 0.00 WT3 H ATOM 40516 OH2 TIP3 3580 3.930 0.074 5.853 1.00 0.00 WT3 O ATOM 40517 H1 TIP3 3580 0.257 -0.233 3.702 1.00 0.00 WT3 H ATOM 40518 H2 TIP3 3580 -11.018 -0.359 -6.537 1.00 0.00 WT3 H ATOM 40519 OH2 TIP3 3585 -5.091 -2.378 -1.594 1.00 0.00 WT3 O ATOM 40520 H1 TIP3 3585 5.826 -2.193 -17.638 1.00 0.00 WT3 H ATOM 40521 H2 TIP3 3585 -12.682 2.787 2.832 1.00 0.00 WT3 H ATOM 40522 OH2 TIP3 3586 -3.725 -2.142 3.605 1.00 0.00 WT3 O ATOM 40523 H1 TIP3 3586 -2.290 -10.546 1.798 1.00 0.00 WT3 H ATOM 40524 H2 TIP3 3586 4.057 -3.871 -5.509 1.00 0.00 WT3 H ATOM 40525 OH2 TIP3 3588 1.604 7.306 2.189 1.00 0.00 WT3 O ATOM 40526 H1 TIP3 3588 32.751 9.652 9.377 1.00 0.00 WT3 H ATOM 40527 H2 TIP3 3588 2.178 -0.748 -15.696 1.00 0.00 WT3 H ATOM 40528 OH2 TIP3 3589 7.213 1.417 -4.570 1.00 0.00 WT3 O ATOM 40529 H1 TIP3 3589 -9.312 -7.908 -29.495 1.00 0.00 WT3 H ATOM 40530 H2 TIP3 3589 14.113 -7.510 4.532 1.00 0.00 WT3 H ATOM 40531 OH2 TIP3 3590 4.237 -5.673 5.435 1.00 0.00 WT3 O ATOM 40532 H1 TIP3 3590 -5.264 8.716 7.249 1.00 0.00 WT3 H ATOM 40533 H2 TIP3 3590 -19.509 -7.453 -13.288 1.00 0.00 WT3 H ATOM 40534 OH2 TIP3 3593 0.242 0.597 2.404 1.00 0.00 WT3 O ATOM 40535 H1 TIP3 3593 13.210 9.425 -0.144 1.00 0.00 WT3 H ATOM 40536 H2 TIP3 3593 -0.338 -0.453 2.898 1.00 0.00 WT3 H ATOM 40537 OH2 TIP3 3595 -6.772 1.552 -0.213 1.00 0.00 WT3 O ATOM 40538 H1 TIP3 3595 4.070 -3.324 -4.179 1.00 0.00 WT3 H ATOM 40539 H2 TIP3 3595 17.525 2.774 -15.513 1.00 0.00 WT3 H ATOM 40540 OH2 TIP3 3596 -0.237 -2.538 -0.150 1.00 0.00 WT3 O ATOM 40541 H1 TIP3 3596 -2.358 -10.389 4.225 1.00 0.00 WT3 H ATOM 40542 H2 TIP3 3596 2.022 4.339 6.125 1.00 0.00 WT3 H ATOM 40543 OH2 TIP3 3597 3.725 1.325 2.173 1.00 0.00 WT3 O ATOM 40544 H1 TIP3 3597 -35.700 -1.205 -11.081 1.00 0.00 WT3 H ATOM 40545 H2 TIP3 3597 -26.287 8.076 -9.135 1.00 0.00 WT3 H ATOM 40546 OH2 TIP3 3598 -1.344 6.688 -4.939 1.00 0.00 WT3 O ATOM 40547 H1 TIP3 3598 4.336 -16.682 6.924 1.00 0.00 WT3 H ATOM 40548 H2 TIP3 3598 -16.840 1.056 11.211 1.00 0.00 WT3 H ATOM 40549 OH2 TIP3 3599 -5.392 1.152 0.082 1.00 0.00 WT3 O ATOM 40550 H1 TIP3 3599 -17.555 -25.971 17.510 1.00 0.00 WT3 H ATOM 40551 H2 TIP3 3599 -5.165 -24.306 9.521 1.00 0.00 WT3 H ATOM 40552 OH2 TIP3 3600 -4.306 0.525 1.540 1.00 0.00 WT3 O ATOM 40553 H1 TIP3 3600 -12.623 0.937 1.529 1.00 0.00 WT3 H ATOM 40554 H2 TIP3 3600 -4.476 -9.639 -0.727 1.00 0.00 WT3 H ATOM 40555 OH2 TIP3 3601 -0.839 0.690 -1.712 1.00 0.00 WT3 O ATOM 40556 H1 TIP3 3601 -17.051 5.627 3.547 1.00 0.00 WT3 H ATOM 40557 H2 TIP3 3601 -11.298 11.146 0.952 1.00 0.00 WT3 H ATOM 40558 OH2 TIP3 3603 2.976 -6.019 4.148 1.00 0.00 WT3 O ATOM 40559 H1 TIP3 3603 13.934 -8.240 5.516 1.00 0.00 WT3 H ATOM 40560 H2 TIP3 3603 -14.823 6.679 -20.240 1.00 0.00 WT3 H ATOM 40561 OH2 TIP3 3604 -2.572 -2.533 -0.786 1.00 0.00 WT3 O ATOM 40562 H1 TIP3 3604 -2.691 -0.606 -7.217 1.00 0.00 WT3 H ATOM 40563 H2 TIP3 3604 -1.377 -2.625 -0.447 1.00 0.00 WT3 H ATOM 40564 OH2 TIP3 3607 -1.667 -3.179 1.519 1.00 0.00 WT3 O ATOM 40565 H1 TIP3 3607 2.450 -1.664 -6.307 1.00 0.00 WT3 H ATOM 40566 H2 TIP3 3607 -9.891 -20.416 -1.955 1.00 0.00 WT3 H ATOM 40567 OH2 TIP3 3608 -0.548 3.632 -4.950 1.00 0.00 WT3 O ATOM 40568 H1 TIP3 3608 -27.582 30.063 -8.048 1.00 0.00 WT3 H ATOM 40569 H2 TIP3 3608 -16.016 16.196 8.545 1.00 0.00 WT3 H ATOM 40570 OH2 TIP3 3609 -1.509 5.503 2.129 1.00 0.00 WT3 O ATOM 40571 H1 TIP3 3609 -4.106 -5.772 4.129 1.00 0.00 WT3 H ATOM 40572 H2 TIP3 3609 -8.033 18.451 6.146 1.00 0.00 WT3 H ATOM 40573 OH2 TIP3 3610 1.726 -5.346 1.987 1.00 0.00 WT3 O ATOM 40574 H1 TIP3 3610 26.125 10.243 9.879 1.00 0.00 WT3 H ATOM 40575 H2 TIP3 3610 4.469 -13.073 -11.071 1.00 0.00 WT3 H ATOM 40576 OH2 TIP3 3612 -9.545 2.126 -2.772 1.00 0.00 WT3 O ATOM 40577 H1 TIP3 3612 -0.765 3.977 -20.953 1.00 0.00 WT3 H ATOM 40578 H2 TIP3 3612 22.405 -2.765 -8.118 1.00 0.00 WT3 H ATOM 40579 OH2 TIP3 3613 -6.380 -2.228 6.703 1.00 0.00 WT3 O ATOM 40580 H1 TIP3 3613 0.802 -25.111 -10.097 1.00 0.00 WT3 H ATOM 40581 H2 TIP3 3613 -11.932 14.124 -3.521 1.00 0.00 WT3 H ATOM 40582 OH2 TIP3 3614 0.328 -1.814 -3.736 1.00 0.00 WT3 O ATOM 40583 H1 TIP3 3614 -0.416 8.690 12.105 1.00 0.00 WT3 H ATOM 40584 H2 TIP3 3614 5.475 -10.095 -3.307 1.00 0.00 WT3 H ATOM 40585 OH2 TIP3 3615 -4.765 0.506 -1.434 1.00 0.00 WT3 O ATOM 40586 H1 TIP3 3615 -3.956 -4.851 29.623 1.00 0.00 WT3 H ATOM 40587 H2 TIP3 3615 15.123 8.193 -31.270 1.00 0.00 WT3 H ATOM 40588 OH2 TIP3 3616 -1.749 10.065 -3.005 1.00 0.00 WT3 O ATOM 40589 H1 TIP3 3616 24.309 -5.020 5.955 1.00 0.00 WT3 H ATOM 40590 H2 TIP3 3616 -11.938 9.816 -23.684 1.00 0.00 WT3 H ATOM 40591 OH2 TIP3 3617 -6.829 -2.093 4.622 1.00 0.00 WT3 O ATOM 40592 H1 TIP3 3617 -14.214 -26.197 2.999 1.00 0.00 WT3 H ATOM 40593 H2 TIP3 3617 1.399 9.649 -7.731 1.00 0.00 WT3 H ATOM 40594 OH2 TIP3 3618 -6.444 2.600 6.502 1.00 0.00 WT3 O ATOM 40595 H1 TIP3 3618 9.706 18.531 -5.631 1.00 0.00 WT3 H ATOM 40596 H2 TIP3 3618 -4.564 -22.728 -2.313 1.00 0.00 WT3 H ATOM 40597 OH2 TIP3 3619 9.866 5.970 7.719 1.00 0.00 WT3 O ATOM 40598 H1 TIP3 3619 17.517 3.839 1.276 1.00 0.00 WT3 H ATOM 40599 H2 TIP3 3619 10.026 5.446 6.773 1.00 0.00 WT3 H ATOM 40600 OH2 TIP3 3620 -7.758 -0.132 8.014 1.00 0.00 WT3 O ATOM 40601 H1 TIP3 3620 1.219 0.868 0.692 1.00 0.00 WT3 H ATOM 40602 H2 TIP3 3620 -14.730 15.330 -0.658 1.00 0.00 WT3 H ATOM 40603 OH2 TIP3 3621 3.519 3.079 -4.768 1.00 0.00 WT3 O ATOM 40604 H1 TIP3 3621 -0.384 -0.644 1.829 1.00 0.00 WT3 H ATOM 40605 H2 TIP3 3621 -0.961 -15.506 -10.470 1.00 0.00 WT3 H ATOM 40606 OH2 TIP3 3622 2.288 2.806 0.232 1.00 0.00 WT3 O ATOM 40607 H1 TIP3 3622 -11.920 -2.555 -13.269 1.00 0.00 WT3 H ATOM 40608 H2 TIP3 3622 18.654 8.109 12.658 1.00 0.00 WT3 H ATOM 40609 OH2 TIP3 3623 -4.917 -3.620 -0.066 1.00 0.00 WT3 O ATOM 40610 H1 TIP3 3623 14.777 0.499 -31.117 1.00 0.00 WT3 H ATOM 40611 H2 TIP3 3623 -10.437 31.328 10.652 1.00 0.00 WT3 H ATOM 40612 OH2 TIP3 3624 -5.587 0.588 -5.092 1.00 0.00 WT3 O ATOM 40613 H1 TIP3 3624 2.189 -19.430 -16.685 1.00 0.00 WT3 H ATOM 40614 H2 TIP3 3624 -5.906 0.767 -5.171 1.00 0.00 WT3 H ATOM 40615 OH2 TIP3 3625 6.154 -5.712 2.095 1.00 0.00 WT3 O ATOM 40616 H1 TIP3 3625 7.236 -1.757 1.806 1.00 0.00 WT3 H ATOM 40617 H2 TIP3 3625 9.562 -5.437 -3.260 1.00 0.00 WT3 H ATOM 40618 OH2 TIP3 3626 2.494 -9.964 -5.339 1.00 0.00 WT3 O ATOM 40619 H1 TIP3 3626 -0.841 -23.073 -8.116 1.00 0.00 WT3 H ATOM 40620 H2 TIP3 3626 2.185 -28.141 9.639 1.00 0.00 WT3 H ATOM 40621 OH2 TIP3 3627 -0.217 3.886 -1.604 1.00 0.00 WT3 O ATOM 40622 H1 TIP3 3627 19.543 -10.803 -1.732 1.00 0.00 WT3 H ATOM 40623 H2 TIP3 3627 -1.059 -1.709 13.321 1.00 0.00 WT3 H ATOM 40624 OH2 TIP3 3628 7.038 0.809 -6.290 1.00 0.00 WT3 O ATOM 40625 H1 TIP3 3628 -11.260 -0.221 -12.177 1.00 0.00 WT3 H ATOM 40626 H2 TIP3 3628 2.823 -4.552 -3.689 1.00 0.00 WT3 H ATOM 40627 OH2 TIP3 3629 -1.904 1.913 -2.368 1.00 0.00 WT3 O ATOM 40628 H1 TIP3 3629 -8.599 2.993 4.583 1.00 0.00 WT3 H ATOM 40629 H2 TIP3 3629 -8.811 2.765 6.036 1.00 0.00 WT3 H ATOM 40630 OH2 TIP3 3630 -2.915 10.006 4.289 1.00 0.00 WT3 O ATOM 40631 H1 TIP3 3630 -2.760 7.500 -7.710 1.00 0.00 WT3 H ATOM 40632 H2 TIP3 3630 8.608 -16.363 2.579 1.00 0.00 WT3 H ATOM 40633 OH2 TIP3 3632 -6.390 -2.621 -0.694 1.00 0.00 WT3 O ATOM 40634 H1 TIP3 3632 -14.893 -31.369 -7.483 1.00 0.00 WT3 H ATOM 40635 H2 TIP3 3632 -4.815 13.714 2.359 1.00 0.00 WT3 H ATOM 40636 OH2 TIP3 3633 -6.175 1.198 2.266 1.00 0.00 WT3 O ATOM 40637 H1 TIP3 3633 1.605 3.971 7.866 1.00 0.00 WT3 H ATOM 40638 H2 TIP3 3633 7.827 5.636 11.917 1.00 0.00 WT3 H ATOM 40639 OH2 TIP3 3634 1.039 3.965 -1.156 1.00 0.00 WT3 O ATOM 40640 H1 TIP3 3634 28.490 -2.998 20.068 1.00 0.00 WT3 H ATOM 40641 H2 TIP3 3634 -8.173 3.204 -0.582 1.00 0.00 WT3 H ATOM 40642 OH2 TIP3 3635 -2.273 3.974 3.902 1.00 0.00 WT3 O ATOM 40643 H1 TIP3 3635 -9.329 -3.879 -18.669 1.00 0.00 WT3 H ATOM 40644 H2 TIP3 3635 -25.788 -15.288 -25.187 1.00 0.00 WT3 H ATOM 40645 OH2 TIP3 3636 5.418 1.721 2.565 1.00 0.00 WT3 O ATOM 40646 H1 TIP3 3636 11.861 9.878 2.064 1.00 0.00 WT3 H ATOM 40647 H2 TIP3 3636 -9.169 -0.809 -13.441 1.00 0.00 WT3 H ATOM 40648 OH2 TIP3 3637 1.113 8.495 -4.574 1.00 0.00 WT3 O ATOM 40649 H1 TIP3 3637 -6.278 8.795 0.476 1.00 0.00 WT3 H ATOM 40650 H2 TIP3 3637 -7.341 25.154 -31.290 1.00 0.00 WT3 H ATOM 40651 OH2 TIP3 3638 6.092 2.715 4.386 1.00 0.00 WT3 O ATOM 40652 H1 TIP3 3638 4.087 -2.411 -6.888 1.00 0.00 WT3 H ATOM 40653 H2 TIP3 3638 39.161 -11.763 -15.125 1.00 0.00 WT3 H ATOM 40654 OH2 TIP3 3639 0.026 6.108 6.283 1.00 0.00 WT3 O ATOM 40655 H1 TIP3 3639 -6.368 -3.615 5.390 1.00 0.00 WT3 H ATOM 40656 H2 TIP3 3639 11.142 1.990 5.289 1.00 0.00 WT3 H ATOM 40657 OH2 TIP3 3640 -0.769 4.057 2.178 1.00 0.00 WT3 O ATOM 40658 H1 TIP3 3640 -18.117 8.028 -21.771 1.00 0.00 WT3 H ATOM 40659 H2 TIP3 3640 11.155 12.088 15.167 1.00 0.00 WT3 H ATOM 40660 OH2 TIP3 3641 5.660 -2.239 -0.854 1.00 0.00 WT3 O ATOM 40661 H1 TIP3 3641 14.369 5.022 -0.914 1.00 0.00 WT3 H ATOM 40662 H2 TIP3 3641 4.833 3.482 12.354 1.00 0.00 WT3 H ATOM 40663 OH2 TIP3 3644 4.930 3.051 3.045 1.00 0.00 WT3 O ATOM 40664 H1 TIP3 3644 13.266 -11.129 -1.553 1.00 0.00 WT3 H ATOM 40665 H2 TIP3 3644 5.651 -6.639 2.890 1.00 0.00 WT3 H ATOM 40666 OH2 TIP3 3645 -1.435 4.665 2.532 1.00 0.00 WT3 O ATOM 40667 H1 TIP3 3645 -8.278 10.874 -3.535 1.00 0.00 WT3 H ATOM 40668 H2 TIP3 3645 -5.068 7.109 -5.004 1.00 0.00 WT3 H ATOM 40669 OH2 TIP3 3646 4.424 0.352 2.081 1.00 0.00 WT3 O ATOM 40670 H1 TIP3 3646 -6.336 42.501 -24.408 1.00 0.00 WT3 H ATOM 40671 H2 TIP3 3646 5.282 -1.778 10.246 1.00 0.00 WT3 H ATOM 40672 OH2 TIP3 3647 -0.609 0.119 3.146 1.00 0.00 WT3 O ATOM 40673 H1 TIP3 3647 28.641 -9.926 -17.416 1.00 0.00 WT3 H ATOM 40674 H2 TIP3 3647 14.681 2.256 -2.783 1.00 0.00 WT3 H ATOM 40675 OH2 TIP3 3648 -2.265 1.596 -1.088 1.00 0.00 WT3 O ATOM 40676 H1 TIP3 3648 -13.800 4.454 7.203 1.00 0.00 WT3 H ATOM 40677 H2 TIP3 3648 31.855 -4.722 0.985 1.00 0.00 WT3 H ATOM 40678 OH2 TIP3 3649 -1.098 5.187 0.049 1.00 0.00 WT3 O ATOM 40679 H1 TIP3 3649 -19.081 -3.413 -3.076 1.00 0.00 WT3 H ATOM 40680 H2 TIP3 3649 1.271 -11.831 -10.028 1.00 0.00 WT3 H ATOM 40681 OH2 TIP3 3650 0.957 3.725 2.271 1.00 0.00 WT3 O ATOM 40682 H1 TIP3 3650 -16.635 -10.954 -14.046 1.00 0.00 WT3 H ATOM 40683 H2 TIP3 3650 -5.478 -13.329 -5.336 1.00 0.00 WT3 H ATOM 40684 OH2 TIP3 3651 2.184 2.944 2.505 1.00 0.00 WT3 O ATOM 40685 H1 TIP3 3651 5.771 4.153 2.025 1.00 0.00 WT3 H ATOM 40686 H2 TIP3 3651 10.252 -2.201 8.670 1.00 0.00 WT3 H ATOM 40687 OH2 TIP3 3652 -5.246 3.299 1.431 1.00 0.00 WT3 O ATOM 40688 H1 TIP3 3652 -0.877 -2.992 3.611 1.00 0.00 WT3 H ATOM 40689 H2 TIP3 3652 4.625 -1.191 7.743 1.00 0.00 WT3 H ATOM 40690 OH2 TIP3 3653 0.966 1.355 -2.307 1.00 0.00 WT3 O ATOM 40691 H1 TIP3 3653 -7.622 20.541 7.810 1.00 0.00 WT3 H ATOM 40692 H2 TIP3 3653 -3.817 -17.551 8.590 1.00 0.00 WT3 H ATOM 40693 OH2 TIP3 3654 -2.378 5.787 4.810 1.00 0.00 WT3 O ATOM 40694 H1 TIP3 3654 -2.543 22.125 11.779 1.00 0.00 WT3 H ATOM 40695 H2 TIP3 3654 -2.185 -13.936 2.354 1.00 0.00 WT3 H ATOM 40696 OH2 TIP3 3655 -3.184 0.276 2.103 1.00 0.00 WT3 O ATOM 40697 H1 TIP3 3655 -16.013 -9.716 -12.976 1.00 0.00 WT3 H ATOM 40698 H2 TIP3 3655 -9.256 -1.974 -25.668 1.00 0.00 WT3 H ATOM 40699 OH2 TIP3 3656 0.518 -1.048 4.053 1.00 0.00 WT3 O ATOM 40700 H1 TIP3 3656 -7.919 -6.488 -0.883 1.00 0.00 WT3 H ATOM 40701 H2 TIP3 3656 5.679 5.727 4.051 1.00 0.00 WT3 H ATOM 40702 OH2 TIP3 3657 -1.131 -5.289 -5.251 1.00 0.00 WT3 O ATOM 40703 H1 TIP3 3657 2.126 16.846 -5.402 1.00 0.00 WT3 H ATOM 40704 H2 TIP3 3657 14.109 -15.184 11.939 1.00 0.00 WT3 H ATOM 40705 OH2 TIP3 3658 0.016 -0.928 3.776 1.00 0.00 WT3 O ATOM 40706 H1 TIP3 3658 13.925 -1.215 -18.112 1.00 0.00 WT3 H ATOM 40707 H2 TIP3 3658 -13.148 42.621 5.432 1.00 0.00 WT3 H ATOM 40708 OH2 TIP3 3660 -0.513 0.507 -7.500 1.00 0.00 WT3 O ATOM 40709 H1 TIP3 3660 10.301 -8.331 8.178 1.00 0.00 WT3 H ATOM 40710 H2 TIP3 3660 -11.555 10.022 23.440 1.00 0.00 WT3 H ATOM 40711 OH2 TIP3 3661 -6.809 3.064 -1.558 1.00 0.00 WT3 O ATOM 40712 H1 TIP3 3661 24.003 -20.131 -3.902 1.00 0.00 WT3 H ATOM 40713 H2 TIP3 3661 18.820 -11.203 0.835 1.00 0.00 WT3 H ATOM 40714 OH2 TIP3 3662 3.710 -6.798 -1.566 1.00 0.00 WT3 O ATOM 40715 H1 TIP3 3662 -2.223 -8.118 -3.494 1.00 0.00 WT3 H ATOM 40716 H2 TIP3 3662 -1.923 -1.276 -11.261 1.00 0.00 WT3 H ATOM 40717 OH2 TIP3 3663 0.139 0.054 2.744 1.00 0.00 WT3 O ATOM 40718 H1 TIP3 3663 -0.758 7.086 6.776 1.00 0.00 WT3 H ATOM 40719 H2 TIP3 3663 5.422 3.056 8.898 1.00 0.00 WT3 H ATOM 40720 OH2 TIP3 3665 0.080 7.093 3.918 1.00 0.00 WT3 O ATOM 40721 H1 TIP3 3665 -1.432 0.485 12.772 1.00 0.00 WT3 H ATOM 40722 H2 TIP3 3665 5.249 6.880 4.319 1.00 0.00 WT3 H ATOM 40723 OH2 TIP3 3666 -3.062 0.961 -3.949 1.00 0.00 WT3 O ATOM 40724 H1 TIP3 3666 6.112 -15.605 5.585 1.00 0.00 WT3 H ATOM 40725 H2 TIP3 3666 3.191 -12.890 -6.319 1.00 0.00 WT3 H ATOM 40726 OH2 TIP3 3667 3.144 -1.883 -2.427 1.00 0.00 WT3 O ATOM 40727 H1 TIP3 3667 23.884 -14.743 2.282 1.00 0.00 WT3 H ATOM 40728 H2 TIP3 3667 -22.813 5.692 1.633 1.00 0.00 WT3 H ATOM 40729 OH2 TIP3 3669 10.199 2.069 4.811 1.00 0.00 WT3 O ATOM 40730 H1 TIP3 3669 14.752 -9.338 7.932 1.00 0.00 WT3 H ATOM 40731 H2 TIP3 3669 7.985 3.902 7.050 1.00 0.00 WT3 H ATOM 40732 OH2 TIP3 3670 0.530 -4.804 9.024 1.00 0.00 WT3 O ATOM 40733 H1 TIP3 3670 -27.172 14.129 5.742 1.00 0.00 WT3 H ATOM 40734 H2 TIP3 3670 8.210 -6.452 12.726 1.00 0.00 WT3 H ATOM 40735 OH2 TIP3 3671 -0.180 1.860 0.744 1.00 0.00 WT3 O ATOM 40736 H1 TIP3 3671 3.471 9.024 7.184 1.00 0.00 WT3 H ATOM 40737 H2 TIP3 3671 -19.445 6.149 6.721 1.00 0.00 WT3 H ATOM 40738 OH2 TIP3 3672 1.413 2.011 0.683 1.00 0.00 WT3 O ATOM 40739 H1 TIP3 3672 -17.848 2.584 4.510 1.00 0.00 WT3 H ATOM 40740 H2 TIP3 3672 8.162 -12.967 -2.928 1.00 0.00 WT3 H ATOM 40741 OH2 TIP3 3673 -1.794 -4.929 -2.966 1.00 0.00 WT3 O ATOM 40742 H1 TIP3 3673 -1.257 5.025 -16.804 1.00 0.00 WT3 H ATOM 40743 H2 TIP3 3673 6.563 -19.659 -9.287 1.00 0.00 WT3 H ATOM 40744 OH2 TIP3 3674 -3.532 1.799 -1.965 1.00 0.00 WT3 O ATOM 40745 H1 TIP3 3674 -14.769 13.327 -5.090 1.00 0.00 WT3 H ATOM 40746 H2 TIP3 3674 -11.794 -8.731 6.769 1.00 0.00 WT3 H ATOM 40747 OH2 TIP3 3675 -5.603 4.538 -0.859 1.00 0.00 WT3 O ATOM 40748 H1 TIP3 3675 -7.635 -10.314 -0.367 1.00 0.00 WT3 H ATOM 40749 H2 TIP3 3675 -0.688 8.423 -12.955 1.00 0.00 WT3 H ATOM 40750 OH2 TIP3 3676 -1.913 -2.765 -2.383 1.00 0.00 WT3 O ATOM 40751 H1 TIP3 3676 -34.533 36.810 -31.470 1.00 0.00 WT3 H ATOM 40752 H2 TIP3 3676 -35.172 17.614 5.226 1.00 0.00 WT3 H ATOM 40753 OH2 TIP3 3678 -4.123 -0.977 0.303 1.00 0.00 WT3 O ATOM 40754 H1 TIP3 3678 7.344 -11.895 9.996 1.00 0.00 WT3 H ATOM 40755 H2 TIP3 3678 -6.453 5.820 29.114 1.00 0.00 WT3 H ATOM 40756 OH2 TIP3 3680 -0.187 -5.045 1.132 1.00 0.00 WT3 O ATOM 40757 H1 TIP3 3680 8.540 -16.967 8.763 1.00 0.00 WT3 H ATOM 40758 H2 TIP3 3680 -25.476 -20.490 -28.606 1.00 0.00 WT3 H ATOM 40759 OH2 TIP3 3682 0.818 0.112 -0.575 1.00 0.00 WT3 O ATOM 40760 H1 TIP3 3682 20.180 -21.345 -6.006 1.00 0.00 WT3 H ATOM 40761 H2 TIP3 3682 -10.785 15.304 5.354 1.00 0.00 WT3 H ATOM 40762 OH2 TIP3 3684 -3.722 4.576 4.934 1.00 0.00 WT3 O ATOM 40763 H1 TIP3 3684 4.710 8.146 -0.544 1.00 0.00 WT3 H ATOM 40764 H2 TIP3 3684 2.563 12.551 -13.653 1.00 0.00 WT3 H ATOM 40765 OH2 TIP3 3685 -1.561 -0.380 0.759 1.00 0.00 WT3 O ATOM 40766 H1 TIP3 3685 -5.769 -1.423 8.305 1.00 0.00 WT3 H ATOM 40767 H2 TIP3 3685 22.235 7.193 3.878 1.00 0.00 WT3 H ATOM 40768 OH2 TIP3 3686 6.432 2.935 0.177 1.00 0.00 WT3 O ATOM 40769 H1 TIP3 3686 9.424 0.288 2.500 1.00 0.00 WT3 H ATOM 40770 H2 TIP3 3686 6.128 6.133 -3.814 1.00 0.00 WT3 H ATOM 40771 OH2 TIP3 3688 1.887 3.343 1.103 1.00 0.00 WT3 O ATOM 40772 H1 TIP3 3688 1.723 12.128 3.432 1.00 0.00 WT3 H ATOM 40773 H2 TIP3 3688 3.735 15.181 4.752 1.00 0.00 WT3 H ATOM 40774 OH2 TIP3 3689 -5.266 4.987 5.524 1.00 0.00 WT3 O ATOM 40775 H1 TIP3 3689 -5.281 3.874 -5.921 1.00 0.00 WT3 H ATOM 40776 H2 TIP3 3689 -5.808 1.706 -20.623 1.00 0.00 WT3 H ATOM 40777 OH2 TIP3 3690 0.332 -0.454 -6.185 1.00 0.00 WT3 O ATOM 40778 H1 TIP3 3690 -38.203 7.433 0.684 1.00 0.00 WT3 H ATOM 40779 H2 TIP3 3690 -0.569 -5.828 -10.357 1.00 0.00 WT3 H ATOM 40780 OH2 TIP3 3691 -2.548 0.278 -6.119 1.00 0.00 WT3 O ATOM 40781 H1 TIP3 3691 2.276 -26.228 13.058 1.00 0.00 WT3 H ATOM 40782 H2 TIP3 3691 14.776 -12.819 -8.791 1.00 0.00 WT3 H ATOM 40783 OH2 TIP3 3692 -2.690 8.429 8.083 1.00 0.00 WT3 O ATOM 40784 H1 TIP3 3692 -9.295 -28.313 -3.473 1.00 0.00 WT3 H ATOM 40785 H2 TIP3 3692 -3.283 1.968 -6.106 1.00 0.00 WT3 H ATOM 40786 OH2 TIP3 3693 -0.022 3.636 6.048 1.00 0.00 WT3 O ATOM 40787 H1 TIP3 3693 6.059 3.647 5.799 1.00 0.00 WT3 H ATOM 40788 H2 TIP3 3693 11.633 -9.029 11.551 1.00 0.00 WT3 H ATOM 40789 OH2 TIP3 3694 -1.756 -7.416 4.291 1.00 0.00 WT3 O ATOM 40790 H1 TIP3 3694 10.869 -4.578 1.950 1.00 0.00 WT3 H ATOM 40791 H2 TIP3 3694 3.599 9.361 12.687 1.00 0.00 WT3 H ATOM 40792 OH2 TIP3 3695 5.206 -2.733 1.336 1.00 0.00 WT3 O ATOM 40793 H1 TIP3 3695 6.703 -5.625 0.349 1.00 0.00 WT3 H ATOM 40794 H2 TIP3 3695 0.325 -5.792 7.029 1.00 0.00 WT3 H ATOM 40795 OH2 TIP3 3696 3.540 -0.758 -0.333 1.00 0.00 WT3 O ATOM 40796 H1 TIP3 3696 13.979 -7.980 -15.598 1.00 0.00 WT3 H ATOM 40797 H2 TIP3 3696 -3.570 -14.214 -19.013 1.00 0.00 WT3 H ATOM 40798 OH2 TIP3 3697 9.702 -2.643 0.415 1.00 0.00 WT3 O ATOM 40799 H1 TIP3 3697 6.407 -7.850 10.940 1.00 0.00 WT3 H ATOM 40800 H2 TIP3 3697 -7.099 -6.842 -8.099 1.00 0.00 WT3 H ATOM 40801 OH2 TIP3 3700 -8.001 -1.084 3.757 1.00 0.00 WT3 O ATOM 40802 H1 TIP3 3700 -8.293 13.338 15.605 1.00 0.00 WT3 H ATOM 40803 H2 TIP3 3700 -4.588 3.634 6.216 1.00 0.00 WT3 H ATOM 40804 OH2 TIP3 3701 0.281 1.229 0.169 1.00 0.00 WT3 O ATOM 40805 H1 TIP3 3701 3.821 4.289 -9.370 1.00 0.00 WT3 H ATOM 40806 H2 TIP3 3701 1.940 -0.843 -1.336 1.00 0.00 WT3 H ATOM 40807 OH2 TIP3 3703 4.482 -1.964 -5.472 1.00 0.00 WT3 O ATOM 40808 H1 TIP3 3703 27.651 -30.984 1.486 1.00 0.00 WT3 H ATOM 40809 H2 TIP3 3703 -2.895 10.138 1.498 1.00 0.00 WT3 H ATOM 40810 OH2 TIP3 3704 -1.555 2.845 -1.884 1.00 0.00 WT3 O ATOM 40811 H1 TIP3 3704 -14.890 22.142 -5.074 1.00 0.00 WT3 H ATOM 40812 H2 TIP3 3704 -0.647 2.310 -1.533 1.00 0.00 WT3 H ATOM 40813 OH2 TIP3 3707 -2.253 4.460 -2.412 1.00 0.00 WT3 O ATOM 40814 H1 TIP3 3707 -3.812 -3.127 -21.792 1.00 0.00 WT3 H ATOM 40815 H2 TIP3 3707 -0.959 -17.003 1.866 1.00 0.00 WT3 H ATOM 40816 OH2 TIP3 3708 -2.338 -1.588 -0.174 1.00 0.00 WT3 O ATOM 40817 H1 TIP3 3708 -0.338 7.288 -9.503 1.00 0.00 WT3 H ATOM 40818 H2 TIP3 3708 -3.492 -5.637 4.220 1.00 0.00 WT3 H ATOM 40819 OH2 TIP3 3709 -1.732 3.762 -3.553 1.00 0.00 WT3 O ATOM 40820 H1 TIP3 3709 -1.413 7.120 -1.886 1.00 0.00 WT3 H ATOM 40821 H2 TIP3 3709 -18.567 27.566 -27.812 1.00 0.00 WT3 H ATOM 40822 OH2 TIP3 3710 -1.369 1.712 1.529 1.00 0.00 WT3 O ATOM 40823 H1 TIP3 3710 -11.978 -1.361 4.767 1.00 0.00 WT3 H ATOM 40824 H2 TIP3 3710 -13.493 3.153 8.393 1.00 0.00 WT3 H ATOM 40825 OH2 TIP3 3712 5.105 -6.193 -5.704 1.00 0.00 WT3 O ATOM 40826 H1 TIP3 3712 35.728 3.755 14.525 1.00 0.00 WT3 H ATOM 40827 H2 TIP3 3712 -13.004 -17.386 -8.338 1.00 0.00 WT3 H ATOM 40828 OH2 TIP3 3715 0.458 -2.914 1.215 1.00 0.00 WT3 O ATOM 40829 H1 TIP3 3715 5.108 -19.271 5.199 1.00 0.00 WT3 H ATOM 40830 H2 TIP3 3715 11.360 3.075 -28.956 1.00 0.00 WT3 H ATOM 40831 OH2 TIP3 3716 0.646 6.604 -4.023 1.00 0.00 WT3 O ATOM 40832 H1 TIP3 3716 1.905 20.588 -2.971 1.00 0.00 WT3 H ATOM 40833 H2 TIP3 3716 -1.011 -10.010 -10.330 1.00 0.00 WT3 H ATOM 40834 OH2 TIP3 3717 1.150 -2.306 -5.154 1.00 0.00 WT3 O ATOM 40835 H1 TIP3 3717 -12.941 -2.367 3.312 1.00 0.00 WT3 H ATOM 40836 H2 TIP3 3717 -23.345 -5.965 -1.917 1.00 0.00 WT3 H ATOM 40837 OH2 TIP3 3718 -6.258 2.510 -2.667 1.00 0.00 WT3 O ATOM 40838 H1 TIP3 3718 -17.772 -2.618 10.146 1.00 0.00 WT3 H ATOM 40839 H2 TIP3 3718 10.141 0.216 4.548 1.00 0.00 WT3 H ATOM 40840 OH2 TIP3 3720 2.538 3.323 -0.775 1.00 0.00 WT3 O ATOM 40841 H1 TIP3 3720 6.998 8.730 -7.024 1.00 0.00 WT3 H ATOM 40842 H2 TIP3 3720 6.476 6.513 5.852 1.00 0.00 WT3 H ATOM 40843 OH2 TIP3 3721 -0.180 -3.421 2.428 1.00 0.00 WT3 O ATOM 40844 H1 TIP3 3721 2.369 -5.068 9.612 1.00 0.00 WT3 H ATOM 40845 H2 TIP3 3721 4.147 -5.111 6.643 1.00 0.00 WT3 H ATOM 40846 OH2 TIP3 3722 -1.871 4.694 -6.578 1.00 0.00 WT3 O ATOM 40847 H1 TIP3 3722 0.454 11.299 -3.706 1.00 0.00 WT3 H ATOM 40848 H2 TIP3 3722 -1.021 10.019 -1.377 1.00 0.00 WT3 H ATOM 40849 OH2 TIP3 3723 3.446 -2.569 0.962 1.00 0.00 WT3 O ATOM 40850 H1 TIP3 3723 23.398 -25.883 -1.004 1.00 0.00 WT3 H ATOM 40851 H2 TIP3 3723 -26.898 6.306 24.520 1.00 0.00 WT3 H ATOM 40852 OH2 TIP3 3724 7.613 0.058 1.421 1.00 0.00 WT3 O ATOM 40853 H1 TIP3 3724 -0.463 3.080 -0.384 1.00 0.00 WT3 H ATOM 40854 H2 TIP3 3724 4.392 -12.595 6.443 1.00 0.00 WT3 H ATOM 40855 OH2 TIP3 3725 -2.966 7.083 10.450 1.00 0.00 WT3 O ATOM 40856 H1 TIP3 3725 7.032 34.150 4.504 1.00 0.00 WT3 H ATOM 40857 H2 TIP3 3725 -1.015 9.901 9.757 1.00 0.00 WT3 H ATOM 40858 OH2 TIP3 3726 -5.682 1.894 1.892 1.00 0.00 WT3 O ATOM 40859 H1 TIP3 3726 -4.003 8.620 0.080 1.00 0.00 WT3 H ATOM 40860 H2 TIP3 3726 -7.613 -0.414 2.719 1.00 0.00 WT3 H ATOM 40861 OH2 TIP3 3727 -1.371 -7.230 2.013 1.00 0.00 WT3 O ATOM 40862 H1 TIP3 3727 -2.145 -16.945 -6.588 1.00 0.00 WT3 H ATOM 40863 H2 TIP3 3727 -11.647 9.660 -2.449 1.00 0.00 WT3 H ATOM 40864 OH2 TIP3 3728 0.170 -2.246 0.648 1.00 0.00 WT3 O ATOM 40865 H1 TIP3 3728 10.475 -24.170 22.026 1.00 0.00 WT3 H ATOM 40866 H2 TIP3 3728 -4.624 26.523 -35.398 1.00 0.00 WT3 H ATOM 40867 OH2 TIP3 3729 -1.797 -2.034 0.057 1.00 0.00 WT3 O ATOM 40868 H1 TIP3 3729 14.291 -10.739 4.311 1.00 0.00 WT3 H ATOM 40869 H2 TIP3 3729 -5.858 0.006 2.927 1.00 0.00 WT3 H ATOM 40870 OH2 TIP3 3732 0.320 -3.412 1.993 1.00 0.00 WT3 O ATOM 40871 H1 TIP3 3732 -1.696 -6.622 8.785 1.00 0.00 WT3 H ATOM 40872 H2 TIP3 3732 9.344 -19.046 23.225 1.00 0.00 WT3 H ATOM 40873 OH2 TIP3 3733 -0.252 8.434 -3.864 1.00 0.00 WT3 O ATOM 40874 H1 TIP3 3733 -0.536 10.652 -1.143 1.00 0.00 WT3 H ATOM 40875 H2 TIP3 3733 -8.819 26.013 12.757 1.00 0.00 WT3 H ATOM 40876 OH2 TIP3 3734 -3.596 -4.359 -1.235 1.00 0.00 WT3 O ATOM 40877 H1 TIP3 3734 21.970 -1.223 -25.680 1.00 0.00 WT3 H ATOM 40878 H2 TIP3 3734 -0.807 -4.257 -1.521 1.00 0.00 WT3 H ATOM 40879 OH2 TIP3 3736 -8.382 -1.461 -10.505 1.00 0.00 WT3 O ATOM 40880 H1 TIP3 3736 -7.425 -2.702 9.097 1.00 0.00 WT3 H ATOM 40881 H2 TIP3 3736 11.711 4.670 -11.921 1.00 0.00 WT3 H ATOM 40882 OH2 TIP3 3738 0.238 -3.328 -6.198 1.00 0.00 WT3 O ATOM 40883 H1 TIP3 3738 -1.337 -8.689 -9.189 1.00 0.00 WT3 H ATOM 40884 H2 TIP3 3738 -7.759 -6.282 -23.444 1.00 0.00 WT3 H ATOM 40885 OH2 TIP3 3740 2.238 -0.931 -7.237 1.00 0.00 WT3 O ATOM 40886 H1 TIP3 3740 -17.919 -4.658 -2.378 1.00 0.00 WT3 H ATOM 40887 H2 TIP3 3740 -7.033 6.026 -15.036 1.00 0.00 WT3 H ATOM 40888 OH2 TIP3 3741 -2.096 6.470 -6.300 1.00 0.00 WT3 O ATOM 40889 H1 TIP3 3741 -0.888 3.750 -5.817 1.00 0.00 WT3 H ATOM 40890 H2 TIP3 3741 6.348 -0.038 -2.220 1.00 0.00 WT3 H ATOM 40891 OH2 TIP3 3742 -0.665 5.719 2.750 1.00 0.00 WT3 O ATOM 40892 H1 TIP3 3742 -8.993 2.283 4.469 1.00 0.00 WT3 H ATOM 40893 H2 TIP3 3742 8.930 19.964 15.498 1.00 0.00 WT3 H ATOM 40894 OH2 TIP3 3745 -0.786 1.193 2.673 1.00 0.00 WT3 O ATOM 40895 H1 TIP3 3745 8.546 -18.451 -4.055 1.00 0.00 WT3 H ATOM 40896 H2 TIP3 3745 12.441 -35.228 -21.857 1.00 0.00 WT3 H ATOM 40897 OH2 TIP3 3750 -3.440 2.137 -2.483 1.00 0.00 WT3 O ATOM 40898 H1 TIP3 3750 3.736 -8.755 -0.495 1.00 0.00 WT3 H ATOM 40899 H2 TIP3 3750 11.075 -20.495 -11.704 1.00 0.00 WT3 H ATOM 40900 OH2 TIP3 3751 0.069 -5.746 0.020 1.00 0.00 WT3 O ATOM 40901 H1 TIP3 3751 -3.672 -11.645 12.971 1.00 0.00 WT3 H ATOM 40902 H2 TIP3 3751 4.514 7.111 5.230 1.00 0.00 WT3 H ATOM 40903 OH2 TIP3 3753 5.732 -4.083 -0.050 1.00 0.00 WT3 O ATOM 40904 H1 TIP3 3753 -0.015 -14.273 -12.441 1.00 0.00 WT3 H ATOM 40905 H2 TIP3 3753 9.273 -20.400 -11.927 1.00 0.00 WT3 H ATOM 40906 OH2 TIP3 3754 1.068 -0.980 -0.329 1.00 0.00 WT3 O ATOM 40907 H1 TIP3 3754 4.678 -16.488 -5.183 1.00 0.00 WT3 H ATOM 40908 H2 TIP3 3754 -4.359 10.784 -4.817 1.00 0.00 WT3 H ATOM 40909 OH2 TIP3 3757 1.059 1.842 7.074 1.00 0.00 WT3 O ATOM 40910 H1 TIP3 3757 -0.395 8.817 -7.747 1.00 0.00 WT3 H ATOM 40911 H2 TIP3 3757 33.248 3.279 13.329 1.00 0.00 WT3 H ATOM 40912 OH2 TIP3 3759 -2.905 0.043 -3.410 1.00 0.00 WT3 O ATOM 40913 H1 TIP3 3759 15.719 8.933 18.568 1.00 0.00 WT3 H ATOM 40914 H2 TIP3 3759 13.409 9.781 -21.404 1.00 0.00 WT3 H ATOM 40915 OH2 TIP3 3775 -7.119 0.144 -2.943 1.00 0.00 WT3 O ATOM 40916 H1 TIP3 3775 6.533 -10.902 13.815 1.00 0.00 WT3 H ATOM 40917 H2 TIP3 3775 4.590 -1.718 -5.604 1.00 0.00 WT3 H ATOM 40918 OH2 TIP3 3778 5.314 -10.101 -5.383 1.00 0.00 WT3 O ATOM 40919 H1 TIP3 3778 -1.973 0.284 4.214 1.00 0.00 WT3 H ATOM 40920 H2 TIP3 3778 -13.620 -9.032 -20.287 1.00 0.00 WT3 H ATOM 40921 OH2 TIP3 3787 1.047 -0.106 3.197 1.00 0.00 WT3 O ATOM 40922 H1 TIP3 3787 1.920 4.181 -2.906 1.00 0.00 WT3 H ATOM 40923 H2 TIP3 3787 -6.982 -13.252 19.039 1.00 0.00 WT3 H ATOM 40924 OH2 TIP3 3792 1.364 1.986 3.470 1.00 0.00 WT3 O ATOM 40925 H1 TIP3 3792 -17.569 -3.748 -11.696 1.00 0.00 WT3 H ATOM 40926 H2 TIP3 3792 -0.548 4.986 -19.670 1.00 0.00 WT3 H ATOM 40927 OH2 TIP3 3795 3.405 3.685 0.584 1.00 0.00 WT3 O ATOM 40928 H1 TIP3 3795 -10.337 -3.102 -6.257 1.00 0.00 WT3 H ATOM 40929 H2 TIP3 3795 8.650 -5.579 13.698 1.00 0.00 WT3 H ATOM 40930 OH2 TIP3 3803 4.667 -7.741 -1.189 1.00 0.00 WT3 O ATOM 40931 H1 TIP3 3803 -3.159 -7.096 4.316 1.00 0.00 WT3 H ATOM 40932 H2 TIP3 3803 32.284 4.658 13.242 1.00 0.00 WT3 H ATOM 40933 OH2 TIP3 3821 1.158 4.011 4.291 1.00 0.00 WT3 O ATOM 40934 H1 TIP3 3821 1.844 -1.888 2.502 1.00 0.00 WT3 H ATOM 40935 H2 TIP3 3821 -7.516 4.073 2.440 1.00 0.00 WT3 H ATOM 40936 OH2 TIP3 3829 1.988 -2.069 -1.463 1.00 0.00 WT3 O ATOM 40937 H1 TIP3 3829 -7.963 -12.364 -23.331 1.00 0.00 WT3 H ATOM 40938 H2 TIP3 3829 10.000 3.960 11.406 1.00 0.00 WT3 H ATOM 40939 OH2 TIP3 3834 -1.938 -4.641 -2.518 1.00 0.00 WT3 O ATOM 40940 H1 TIP3 3834 -11.212 -9.383 -11.796 1.00 0.00 WT3 H ATOM 40941 H2 TIP3 3834 -16.785 -1.107 -0.581 1.00 0.00 WT3 H ATOM 40942 OH2 TIP3 3906 -7.636 -0.487 -2.029 1.00 0.00 WT3 O ATOM 40943 H1 TIP3 3906 6.142 13.213 0.032 1.00 0.00 WT3 H ATOM 40944 H2 TIP3 3906 -9.369 -3.277 19.920 1.00 0.00 WT3 H ATOM 40945 OH2 TIP3 3924 -1.737 2.290 -3.789 1.00 0.00 WT3 O ATOM 40946 H1 TIP3 3924 -3.948 7.491 6.386 1.00 0.00 WT3 H ATOM 40947 H2 TIP3 3924 16.910 3.345 7.218 1.00 0.00 WT3 H ATOM 40948 OH2 TIP3 3925 7.220 2.810 7.765 1.00 0.00 WT3 O ATOM 40949 H1 TIP3 3925 -3.394 10.487 4.695 1.00 0.00 WT3 H ATOM 40950 H2 TIP3 3925 -26.633 41.247 -5.697 1.00 0.00 WT3 H ATOM 40951 OH2 TIP3 3931 6.241 0.290 -0.632 1.00 0.00 WT3 O ATOM 40952 H1 TIP3 3931 3.056 0.391 -10.341 1.00 0.00 WT3 H ATOM 40953 H2 TIP3 3931 -1.459 -10.119 -3.799 1.00 0.00 WT3 H ATOM 40954 OH2 TIP3 3933 -3.108 -2.899 2.673 1.00 0.00 WT3 O ATOM 40955 H1 TIP3 3933 -20.150 8.722 -12.452 1.00 0.00 WT3 H ATOM 40956 H2 TIP3 3933 -6.792 -16.241 8.233 1.00 0.00 WT3 H ATOM 40957 OH2 TIP3 3935 1.449 5.625 7.774 1.00 0.00 WT3 O ATOM 40958 H1 TIP3 3935 -2.431 17.607 15.719 1.00 0.00 WT3 H ATOM 40959 H2 TIP3 3935 -6.721 -0.549 0.449 1.00 0.00 WT3 H ATOM 40960 OH2 TIP3 3951 0.971 10.322 4.541 1.00 0.00 WT3 O ATOM 40961 H1 TIP3 3951 10.317 -13.656 6.605 1.00 0.00 WT3 H ATOM 40962 H2 TIP3 3951 -16.824 -11.416 10.317 1.00 0.00 WT3 H ATOM 40963 OH2 TIP3 3953 5.464 2.140 -4.313 1.00 0.00 WT3 O ATOM 40964 H1 TIP3 3953 -2.227 5.949 0.485 1.00 0.00 WT3 H ATOM 40965 H2 TIP3 3953 1.558 2.337 0.820 1.00 0.00 WT3 H ATOM 40966 OH2 TIP3 3973 5.811 -0.658 2.575 1.00 0.00 WT3 O ATOM 40967 H1 TIP3 3973 6.967 -4.022 2.505 1.00 0.00 WT3 H ATOM 40968 H2 TIP3 3973 5.115 15.145 8.036 1.00 0.00 WT3 H ATOM 40969 OH2 TIP3 3974 4.481 -1.616 2.004 1.00 0.00 WT3 O ATOM 40970 H1 TIP3 3974 5.986 0.844 12.763 1.00 0.00 WT3 H ATOM 40971 H2 TIP3 3974 -1.503 -3.742 1.230 1.00 0.00 WT3 H ATOM 40972 OH2 TIP3 3975 5.705 0.454 1.647 1.00 0.00 WT3 O ATOM 40973 H1 TIP3 3975 5.157 6.191 3.518 1.00 0.00 WT3 H ATOM 40974 H2 TIP3 3975 11.547 10.163 -3.677 1.00 0.00 WT3 H ATOM 40975 OH2 TIP3 3976 -0.602 8.738 -2.849 1.00 0.00 WT3 O ATOM 40976 H1 TIP3 3976 2.386 -19.056 -5.083 1.00 0.00 WT3 H ATOM 40977 H2 TIP3 3976 -5.643 -5.524 1.437 1.00 0.00 WT3 H ATOM 40978 OH2 TIP3 3977 4.874 3.808 2.286 1.00 0.00 WT3 O ATOM 40979 H1 TIP3 3977 0.647 -6.828 11.991 1.00 0.00 WT3 H ATOM 40980 H2 TIP3 3977 -12.712 8.274 -1.948 1.00 0.00 WT3 H ATOM 40981 OH2 TIP3 3986 5.180 -3.469 0.327 1.00 0.00 WT3 O ATOM 40982 H1 TIP3 3986 14.576 3.403 -38.154 1.00 0.00 WT3 H ATOM 40983 H2 TIP3 3986 4.200 -4.836 3.747 1.00 0.00 WT3 H ATOM 40984 OH2 TIP3 3991 0.973 -4.056 2.071 1.00 0.00 WT3 O ATOM 40985 H1 TIP3 3991 3.690 -3.490 -4.994 1.00 0.00 WT3 H ATOM 40986 H2 TIP3 3991 -7.561 -4.494 3.378 1.00 0.00 WT3 H ATOM 40987 OH2 TIP3 3992 -3.441 -5.507 1.354 1.00 0.00 WT3 O ATOM 40988 H1 TIP3 3992 -28.398 -32.481 -1.933 1.00 0.00 WT3 H ATOM 40989 H2 TIP3 3992 -2.284 -5.180 -10.023 1.00 0.00 WT3 H ATOM 40990 OH2 TIP3 3993 3.265 0.190 -0.208 1.00 0.00 WT3 O ATOM 40991 H1 TIP3 3993 -1.099 11.010 2.048 1.00 0.00 WT3 H ATOM 40992 H2 TIP3 3993 6.417 9.063 5.734 1.00 0.00 WT3 H ATOM 40993 OH2 TIP3 3995 -3.105 1.771 0.004 1.00 0.00 WT3 O ATOM 40994 H1 TIP3 3995 18.908 -29.795 -9.668 1.00 0.00 WT3 H ATOM 40995 H2 TIP3 3995 18.895 10.419 -15.062 1.00 0.00 WT3 H ATOM 40996 OH2 TIP3 3996 12.754 -1.165 3.028 1.00 0.00 WT3 O ATOM 40997 H1 TIP3 3996 17.728 -14.269 -8.687 1.00 0.00 WT3 H ATOM 40998 H2 TIP3 3996 15.142 -9.855 2.096 1.00 0.00 WT3 H ATOM 40999 OH2 TIP3 3997 1.746 5.131 -0.917 1.00 0.00 WT3 O ATOM 41000 H1 TIP3 3997 -3.322 8.379 -0.553 1.00 0.00 WT3 H ATOM 41001 H2 TIP3 3997 4.493 -7.106 2.602 1.00 0.00 WT3 H ATOM 41002 OH2 TIP3 4000 -5.338 -0.159 -4.794 1.00 0.00 WT3 O ATOM 41003 H1 TIP3 4000 -6.807 0.682 -6.135 1.00 0.00 WT3 H ATOM 41004 H2 TIP3 4000 -0.414 -5.042 -2.085 1.00 0.00 WT3 H ATOM 41005 OH2 TIP3 4001 -1.804 -2.363 6.713 1.00 0.00 WT3 O ATOM 41006 H1 TIP3 4001 3.763 -8.049 9.377 1.00 0.00 WT3 H ATOM 41007 H2 TIP3 4001 -7.911 -3.272 4.753 1.00 0.00 WT3 H ATOM 41008 OH2 TIP3 4007 -3.106 3.627 -2.096 1.00 0.00 WT3 O ATOM 41009 H1 TIP3 4007 -4.087 -14.995 3.518 1.00 0.00 WT3 H ATOM 41010 H2 TIP3 4007 -4.001 -10.111 0.166 1.00 0.00 WT3 H ATOM 41011 OH2 TIP3 4009 -9.018 -3.789 -6.489 1.00 0.00 WT3 O ATOM 41012 H1 TIP3 4009 -29.668 -19.120 -0.867 1.00 0.00 WT3 H ATOM 41013 H2 TIP3 4009 -10.158 17.626 9.936 1.00 0.00 WT3 H ATOM 41014 OH2 TIP3 4010 0.175 1.262 7.691 1.00 0.00 WT3 O ATOM 41015 H1 TIP3 4010 -10.076 -11.987 6.525 1.00 0.00 WT3 H ATOM 41016 H2 TIP3 4010 -2.274 3.458 15.880 1.00 0.00 WT3 H ATOM 41017 OH2 TIP3 4012 -1.645 6.579 -1.543 1.00 0.00 WT3 O ATOM 41018 H1 TIP3 4012 -5.205 13.149 4.137 1.00 0.00 WT3 H ATOM 41019 H2 TIP3 4012 -0.189 13.229 -10.222 1.00 0.00 WT3 H ATOM 41020 OH2 TIP3 4013 -6.419 4.726 2.961 1.00 0.00 WT3 O ATOM 41021 H1 TIP3 4013 -8.758 7.934 3.811 1.00 0.00 WT3 H ATOM 41022 H2 TIP3 4013 -10.421 9.894 3.598 1.00 0.00 WT3 H ATOM 41023 OH2 TIP3 4014 6.343 2.127 -5.442 1.00 0.00 WT3 O ATOM 41024 H1 TIP3 4014 7.139 -2.306 16.426 1.00 0.00 WT3 H ATOM 41025 H2 TIP3 4014 7.293 -3.045 4.070 1.00 0.00 WT3 H ATOM 41026 OH2 TIP3 4015 -4.752 1.235 5.702 1.00 0.00 WT3 O ATOM 41027 H1 TIP3 4015 -15.224 10.560 4.987 1.00 0.00 WT3 H ATOM 41028 H2 TIP3 4015 5.511 7.608 7.956 1.00 0.00 WT3 H ATOM 41029 OH2 TIP3 4016 2.573 3.129 -2.573 1.00 0.00 WT3 O ATOM 41030 H1 TIP3 4016 -10.475 -18.052 -5.705 1.00 0.00 WT3 H ATOM 41031 H2 TIP3 4016 -23.896 -4.215 -2.940 1.00 0.00 WT3 H ATOM 41032 OH2 TIP3 4017 3.069 6.514 1.067 1.00 0.00 WT3 O ATOM 41033 H1 TIP3 4017 -2.048 27.782 -5.659 1.00 0.00 WT3 H ATOM 41034 H2 TIP3 4017 4.387 8.990 -20.438 1.00 0.00 WT3 H ATOM 41035 OH2 TIP3 4018 -0.756 2.675 0.975 1.00 0.00 WT3 O ATOM 41036 H1 TIP3 4018 9.580 0.423 7.497 1.00 0.00 WT3 H ATOM 41037 H2 TIP3 4018 3.141 1.756 -2.144 1.00 0.00 WT3 H ATOM 41038 OH2 TIP3 4019 -3.809 1.972 1.773 1.00 0.00 WT3 O ATOM 41039 H1 TIP3 4019 -1.092 7.932 -18.492 1.00 0.00 WT3 H ATOM 41040 H2 TIP3 4019 3.498 25.099 9.949 1.00 0.00 WT3 H ATOM 41041 OH2 TIP3 4020 1.792 -5.038 1.709 1.00 0.00 WT3 O ATOM 41042 H1 TIP3 4020 6.518 -3.522 -3.943 1.00 0.00 WT3 H ATOM 41043 H2 TIP3 4020 -0.288 -12.419 1.284 1.00 0.00 WT3 H ATOM 41044 OH2 TIP3 4021 -0.264 -2.386 5.446 1.00 0.00 WT3 O ATOM 41045 H1 TIP3 4021 -12.310 12.643 24.395 1.00 0.00 WT3 H ATOM 41046 H2 TIP3 4021 12.837 1.988 -2.382 1.00 0.00 WT3 H ATOM 41047 OH2 TIP3 4022 -9.766 1.327 2.624 1.00 0.00 WT3 O ATOM 41048 H1 TIP3 4022 -8.679 12.612 -6.423 1.00 0.00 WT3 H ATOM 41049 H2 TIP3 4022 -10.608 10.062 0.671 1.00 0.00 WT3 H ATOM 41050 OH2 TIP3 4025 1.680 -1.206 -2.751 1.00 0.00 WT3 O ATOM 41051 H1 TIP3 4025 -4.213 4.841 8.808 1.00 0.00 WT3 H ATOM 41052 H2 TIP3 4025 12.704 -16.003 2.900 1.00 0.00 WT3 H ATOM 41053 OH2 TIP3 4026 -3.721 -1.982 0.580 1.00 0.00 WT3 O ATOM 41054 H1 TIP3 4026 -3.514 6.196 -7.924 1.00 0.00 WT3 H ATOM 41055 H2 TIP3 4026 -3.356 0.757 2.882 1.00 0.00 WT3 H ATOM 41056 OH2 TIP3 4030 0.702 0.370 -5.846 1.00 0.00 WT3 O ATOM 41057 H1 TIP3 4030 0.780 -7.942 -1.462 1.00 0.00 WT3 H ATOM 41058 H2 TIP3 4030 14.549 6.181 -13.891 1.00 0.00 WT3 H ATOM 41059 OH2 TIP3 4032 -7.139 4.385 -3.398 1.00 0.00 WT3 O ATOM 41060 H1 TIP3 4032 -24.987 -10.197 20.162 1.00 0.00 WT3 H ATOM 41061 H2 TIP3 4032 -10.383 -5.719 -14.751 1.00 0.00 WT3 H ATOM 41062 OH2 TIP3 4035 6.406 4.691 1.362 1.00 0.00 WT3 O ATOM 41063 H1 TIP3 4035 21.804 -2.765 11.984 1.00 0.00 WT3 H ATOM 41064 H2 TIP3 4035 2.277 -0.377 4.838 1.00 0.00 WT3 H ATOM 41065 OH2 TIP3 4036 -5.327 -5.373 -4.172 1.00 0.00 WT3 O ATOM 41066 H1 TIP3 4036 10.757 4.959 21.339 1.00 0.00 WT3 H ATOM 41067 H2 TIP3 4036 -13.394 -23.449 -10.547 1.00 0.00 WT3 H ATOM 41068 OH2 TIP3 4037 0.677 -4.052 2.000 1.00 0.00 WT3 O ATOM 41069 H1 TIP3 4037 0.718 -11.743 4.893 1.00 0.00 WT3 H ATOM 41070 H2 TIP3 4037 -3.593 -17.319 -7.763 1.00 0.00 WT3 H ATOM 41071 OH2 TIP3 4039 1.926 4.250 -4.235 1.00 0.00 WT3 O ATOM 41072 H1 TIP3 4039 -5.606 -10.043 -15.660 1.00 0.00 WT3 H ATOM 41073 H2 TIP3 4039 7.059 5.559 1.170 1.00 0.00 WT3 H ATOM 41074 OH2 TIP3 4040 -3.581 4.369 -2.989 1.00 0.00 WT3 O ATOM 41075 H1 TIP3 4040 -0.310 -14.875 -23.716 1.00 0.00 WT3 H ATOM 41076 H2 TIP3 4040 6.168 19.248 1.186 1.00 0.00 WT3 H ATOM 41077 OH2 TIP3 4043 2.042 2.729 -5.362 1.00 0.00 WT3 O ATOM 41078 H1 TIP3 4043 2.763 -0.231 6.469 1.00 0.00 WT3 H ATOM 41079 H2 TIP3 4043 -6.143 14.353 -11.854 1.00 0.00 WT3 H ATOM 41080 OH2 TIP3 4044 3.820 -0.868 -0.078 1.00 0.00 WT3 O ATOM 41081 H1 TIP3 4044 10.889 -8.142 -4.595 1.00 0.00 WT3 H ATOM 41082 H2 TIP3 4044 9.860 16.018 -11.403 1.00 0.00 WT3 H ATOM 41083 OH2 TIP3 4045 8.452 7.307 0.867 1.00 0.00 WT3 O ATOM 41084 H1 TIP3 4045 10.380 -3.305 9.254 1.00 0.00 WT3 H ATOM 41085 H2 TIP3 4045 10.033 1.565 0.276 1.00 0.00 WT3 H ATOM 41086 OH2 TIP3 4047 1.214 2.214 -1.406 1.00 0.00 WT3 O ATOM 41087 H1 TIP3 4047 10.324 1.282 9.342 1.00 0.00 WT3 H ATOM 41088 H2 TIP3 4047 28.545 3.192 0.338 1.00 0.00 WT3 H ATOM 41089 OH2 TIP3 4050 -1.237 -0.989 2.842 1.00 0.00 WT3 O ATOM 41090 H1 TIP3 4050 -3.422 -18.007 3.635 1.00 0.00 WT3 H ATOM 41091 H2 TIP3 4050 23.496 0.468 -27.696 1.00 0.00 WT3 H ATOM 41092 OH2 TIP3 4052 -7.505 -4.195 0.135 1.00 0.00 WT3 O ATOM 41093 H1 TIP3 4052 -8.071 -4.488 -0.241 1.00 0.00 WT3 H ATOM 41094 H2 TIP3 4052 6.263 2.248 11.671 1.00 0.00 WT3 H ATOM 41095 OH2 TIP3 4053 2.267 -8.639 2.114 1.00 0.00 WT3 O ATOM 41096 H1 TIP3 4053 -1.221 -2.073 19.813 1.00 0.00 WT3 H ATOM 41097 H2 TIP3 4053 10.876 -24.452 8.819 1.00 0.00 WT3 H ATOM 41098 OH2 TIP3 4054 3.766 -1.958 -6.370 1.00 0.00 WT3 O ATOM 41099 H1 TIP3 4054 -10.257 -8.405 -12.839 1.00 0.00 WT3 H ATOM 41100 H2 TIP3 4054 4.615 -2.306 11.212 1.00 0.00 WT3 H ATOM 41101 OH2 TIP3 4055 2.043 3.052 3.504 1.00 0.00 WT3 O ATOM 41102 H1 TIP3 4055 -15.875 -7.910 -3.369 1.00 0.00 WT3 H ATOM 41103 H2 TIP3 4055 20.146 13.024 7.422 1.00 0.00 WT3 H ATOM 41104 OH2 TIP3 4056 4.973 1.820 1.985 1.00 0.00 WT3 O ATOM 41105 H1 TIP3 4056 -12.018 12.289 -2.587 1.00 0.00 WT3 H ATOM 41106 H2 TIP3 4056 5.813 -3.053 2.078 1.00 0.00 WT3 H ATOM 41107 OH2 TIP3 4057 2.033 2.740 -1.282 1.00 0.00 WT3 O ATOM 41108 H1 TIP3 4057 -1.798 7.816 3.740 1.00 0.00 WT3 H ATOM 41109 H2 TIP3 4057 -5.312 -3.701 0.743 1.00 0.00 WT3 H ATOM 41110 OH2 TIP3 4059 2.377 1.886 -9.157 1.00 0.00 WT3 O ATOM 41111 H1 TIP3 4059 -6.861 -12.449 -0.356 1.00 0.00 WT3 H ATOM 41112 H2 TIP3 4059 12.495 -2.035 -16.353 1.00 0.00 WT3 H ATOM 41113 OH2 TIP3 4060 -1.358 -1.651 2.025 1.00 0.00 WT3 O ATOM 41114 H1 TIP3 4060 5.124 1.835 17.257 1.00 0.00 WT3 H ATOM 41115 H2 TIP3 4060 31.269 12.921 -32.274 1.00 0.00 WT3 H ATOM 41116 OH2 TIP3 4061 0.473 -2.560 7.211 1.00 0.00 WT3 O ATOM 41117 H1 TIP3 4061 30.577 -33.480 -6.678 1.00 0.00 WT3 H ATOM 41118 H2 TIP3 4061 17.172 36.561 -11.105 1.00 0.00 WT3 H ATOM 41119 OH2 TIP3 4063 2.969 3.430 -0.360 1.00 0.00 WT3 O ATOM 41120 H1 TIP3 4063 -7.425 3.540 3.995 1.00 0.00 WT3 H ATOM 41121 H2 TIP3 4063 5.691 3.827 -1.462 1.00 0.00 WT3 H ATOM 41122 OH2 TIP3 4064 -3.784 0.170 2.621 1.00 0.00 WT3 O ATOM 41123 H1 TIP3 4064 -1.650 -3.834 18.174 1.00 0.00 WT3 H ATOM 41124 H2 TIP3 4064 18.293 4.479 -5.700 1.00 0.00 WT3 H ATOM 41125 OH2 TIP3 4065 1.302 5.526 -3.009 1.00 0.00 WT3 O ATOM 41126 H1 TIP3 4065 -8.816 -11.040 0.817 1.00 0.00 WT3 H ATOM 41127 H2 TIP3 4065 -7.447 18.239 8.521 1.00 0.00 WT3 H ATOM 41128 OH2 TIP3 4066 -2.535 -3.366 1.915 1.00 0.00 WT3 O ATOM 41129 H1 TIP3 4066 4.378 -6.760 2.521 1.00 0.00 WT3 H ATOM 41130 H2 TIP3 4066 -0.451 -3.344 9.010 1.00 0.00 WT3 H ATOM 41131 OH2 TIP3 4067 -7.489 1.184 4.261 1.00 0.00 WT3 O ATOM 41132 H1 TIP3 4067 -1.166 9.208 -5.665 1.00 0.00 WT3 H ATOM 41133 H2 TIP3 4067 4.104 -10.718 5.085 1.00 0.00 WT3 H ATOM 41134 OH2 TIP3 4068 4.554 -2.072 4.259 1.00 0.00 WT3 O ATOM 41135 H1 TIP3 4068 12.940 0.243 7.943 1.00 0.00 WT3 H ATOM 41136 H2 TIP3 4068 3.406 -12.289 5.650 1.00 0.00 WT3 H ATOM 41137 OH2 TIP3 4069 -2.411 -3.889 4.516 1.00 0.00 WT3 O ATOM 41138 H1 TIP3 4069 5.626 4.333 8.478 1.00 0.00 WT3 H ATOM 41139 H2 TIP3 4069 5.989 -16.781 1.875 1.00 0.00 WT3 H ATOM 41140 OH2 TIP3 4072 0.109 6.706 -5.073 1.00 0.00 WT3 O ATOM 41141 H1 TIP3 4072 6.610 -5.983 -5.282 1.00 0.00 WT3 H ATOM 41142 H2 TIP3 4072 -10.645 21.540 -4.996 1.00 0.00 WT3 H ATOM 41143 OH2 TIP3 4073 -0.506 -4.039 -0.253 1.00 0.00 WT3 O ATOM 41144 H1 TIP3 4073 0.185 -5.568 7.028 1.00 0.00 WT3 H ATOM 41145 H2 TIP3 4073 2.608 -5.963 22.552 1.00 0.00 WT3 H ATOM 41146 OH2 TIP3 4074 -3.184 -2.074 0.562 1.00 0.00 WT3 O ATOM 41147 H1 TIP3 4074 12.473 5.465 -8.488 1.00 0.00 WT3 H ATOM 41148 H2 TIP3 4074 0.696 -10.517 -8.662 1.00 0.00 WT3 H ATOM 41149 OH2 TIP3 4075 1.135 -0.715 1.367 1.00 0.00 WT3 O ATOM 41150 H1 TIP3 4075 3.999 -11.698 -2.768 1.00 0.00 WT3 H ATOM 41151 H2 TIP3 4075 4.856 -15.871 -8.607 1.00 0.00 WT3 H ATOM 41152 OH2 TIP3 4076 -6.982 5.661 -9.791 1.00 0.00 WT3 O ATOM 41153 H1 TIP3 4076 14.052 8.507 -2.333 1.00 0.00 WT3 H ATOM 41154 H2 TIP3 4076 -19.011 -19.741 7.068 1.00 0.00 WT3 H ATOM 41155 OH2 TIP3 4077 0.859 5.465 3.617 1.00 0.00 WT3 O ATOM 41156 H1 TIP3 4077 -0.103 7.670 1.812 1.00 0.00 WT3 H ATOM 41157 H2 TIP3 4077 14.292 21.150 5.121 1.00 0.00 WT3 H ATOM 41158 OH2 TIP3 4078 2.743 -6.463 1.911 1.00 0.00 WT3 O ATOM 41159 H1 TIP3 4078 5.267 -15.109 9.846 1.00 0.00 WT3 H ATOM 41160 H2 TIP3 4078 -3.897 -10.035 -0.683 1.00 0.00 WT3 H ATOM 41161 OH2 TIP3 4079 3.515 5.601 -0.317 1.00 0.00 WT3 O ATOM 41162 H1 TIP3 4079 13.666 8.972 23.786 1.00 0.00 WT3 H ATOM 41163 H2 TIP3 4079 11.048 17.347 12.294 1.00 0.00 WT3 H ATOM 41164 OH2 TIP3 4080 4.519 5.379 -1.669 1.00 0.00 WT3 O ATOM 41165 H1 TIP3 4080 -6.123 -5.177 3.768 1.00 0.00 WT3 H ATOM 41166 H2 TIP3 4080 -7.852 -7.091 7.099 1.00 0.00 WT3 H ATOM 41167 OH2 TIP3 4081 -1.459 -0.423 -4.216 1.00 0.00 WT3 O ATOM 41168 H1 TIP3 4081 -25.903 0.629 -16.476 1.00 0.00 WT3 H ATOM 41169 H2 TIP3 4081 11.288 8.023 -27.755 1.00 0.00 WT3 H ATOM 41170 OH2 TIP3 4083 4.640 1.062 6.841 1.00 0.00 WT3 O ATOM 41171 H1 TIP3 4083 1.574 6.932 -12.676 1.00 0.00 WT3 H ATOM 41172 H2 TIP3 4083 19.737 -4.060 11.311 1.00 0.00 WT3 H ATOM 41173 OH2 TIP3 4085 0.898 5.800 0.265 1.00 0.00 WT3 O ATOM 41174 H1 TIP3 4085 4.854 9.375 2.253 1.00 0.00 WT3 H ATOM 41175 H2 TIP3 4085 3.990 -3.503 11.521 1.00 0.00 WT3 H ATOM 41176 OH2 TIP3 4086 -1.670 -0.230 -1.414 1.00 0.00 WT3 O ATOM 41177 H1 TIP3 4086 -16.850 2.536 -14.859 1.00 0.00 WT3 H ATOM 41178 H2 TIP3 4086 -22.108 8.505 -15.491 1.00 0.00 WT3 H ATOM 41179 OH2 TIP3 4087 4.773 2.996 -5.897 1.00 0.00 WT3 O ATOM 41180 H1 TIP3 4087 2.900 4.136 8.927 1.00 0.00 WT3 H ATOM 41181 H2 TIP3 4087 7.973 7.622 -13.237 1.00 0.00 WT3 H ATOM 41182 OH2 TIP3 4089 3.442 2.179 -2.334 1.00 0.00 WT3 O ATOM 41183 H1 TIP3 4089 -3.622 -3.576 -26.845 1.00 0.00 WT3 H ATOM 41184 H2 TIP3 4089 8.073 3.610 1.085 1.00 0.00 WT3 H ATOM 41185 OH2 TIP3 4091 -2.645 -7.190 -0.407 1.00 0.00 WT3 O ATOM 41186 H1 TIP3 4091 11.704 21.081 -11.403 1.00 0.00 WT3 H ATOM 41187 H2 TIP3 4091 -3.295 -5.819 7.378 1.00 0.00 WT3 H ATOM 41188 OH2 TIP3 4092 1.104 7.811 -7.551 1.00 0.00 WT3 O ATOM 41189 H1 TIP3 4092 -5.546 -6.743 -3.486 1.00 0.00 WT3 H ATOM 41190 H2 TIP3 4092 -10.360 14.014 -13.879 1.00 0.00 WT3 H ATOM 41191 OH2 TIP3 4093 1.220 1.678 6.782 1.00 0.00 WT3 O ATOM 41192 H1 TIP3 4093 -4.148 13.256 6.294 1.00 0.00 WT3 H ATOM 41193 H2 TIP3 4093 20.067 -4.978 -7.322 1.00 0.00 WT3 H ATOM 41194 OH2 TIP3 4096 -8.253 6.928 0.823 1.00 0.00 WT3 O ATOM 41195 H1 TIP3 4096 -3.477 5.975 0.700 1.00 0.00 WT3 H ATOM 41196 H2 TIP3 4096 -6.563 10.859 2.393 1.00 0.00 WT3 H ATOM 41197 OH2 TIP3 4097 -2.228 -0.053 3.326 1.00 0.00 WT3 O ATOM 41198 H1 TIP3 4097 4.102 15.075 3.886 1.00 0.00 WT3 H ATOM 41199 H2 TIP3 4097 -2.313 -4.158 3.587 1.00 0.00 WT3 H ATOM 41200 OH2 TIP3 4098 1.430 3.206 1.181 1.00 0.00 WT3 O ATOM 41201 H1 TIP3 4098 -0.220 -2.438 -10.893 1.00 0.00 WT3 H ATOM 41202 H2 TIP3 4098 -46.035 8.377 27.049 1.00 0.00 WT3 H ATOM 41203 OH2 TIP3 4099 -0.117 0.704 -0.031 1.00 0.00 WT3 O ATOM 41204 H1 TIP3 4099 2.064 -11.071 -3.299 1.00 0.00 WT3 H ATOM 41205 H2 TIP3 4099 14.136 12.912 9.390 1.00 0.00 WT3 H ATOM 41206 OH2 TIP3 4101 2.910 -3.628 -4.180 1.00 0.00 WT3 O ATOM 41207 H1 TIP3 4101 2.610 -3.107 0.990 1.00 0.00 WT3 H ATOM 41208 H2 TIP3 4101 12.574 3.532 -9.678 1.00 0.00 WT3 H ATOM 41209 OH2 TIP3 4102 0.588 -2.759 -4.269 1.00 0.00 WT3 O ATOM 41210 H1 TIP3 4102 -13.476 -18.585 -24.734 1.00 0.00 WT3 H ATOM 41211 H2 TIP3 4102 -17.391 3.165 -3.720 1.00 0.00 WT3 H ATOM 41212 OH2 TIP3 4103 -3.768 3.824 -1.462 1.00 0.00 WT3 O ATOM 41213 H1 TIP3 4103 -2.379 14.267 -0.466 1.00 0.00 WT3 H ATOM 41214 H2 TIP3 4103 -9.283 4.496 -3.763 1.00 0.00 WT3 H ATOM 41215 OH2 TIP3 4104 -3.541 -1.666 0.413 1.00 0.00 WT3 O ATOM 41216 H1 TIP3 4104 7.380 -4.321 25.476 1.00 0.00 WT3 H ATOM 41217 H2 TIP3 4104 -1.495 -0.841 21.286 1.00 0.00 WT3 H ATOM 41218 OH2 TIP3 4105 -0.075 5.491 -1.662 1.00 0.00 WT3 O ATOM 41219 H1 TIP3 4105 17.630 1.039 -24.463 1.00 0.00 WT3 H ATOM 41220 H2 TIP3 4105 4.113 4.349 -8.192 1.00 0.00 WT3 H ATOM 41221 OH2 TIP3 4108 2.549 3.867 -2.422 1.00 0.00 WT3 O ATOM 41222 H1 TIP3 4108 9.971 -14.364 3.241 1.00 0.00 WT3 H ATOM 41223 H2 TIP3 4108 5.025 8.719 -7.263 1.00 0.00 WT3 H ATOM 41224 OH2 TIP3 4109 4.401 -2.084 1.393 1.00 0.00 WT3 O ATOM 41225 H1 TIP3 4109 -1.439 -12.518 8.015 1.00 0.00 WT3 H ATOM 41226 H2 TIP3 4109 7.022 11.205 7.811 1.00 0.00 WT3 H ATOM 41227 OH2 TIP3 4110 4.978 -0.118 6.171 1.00 0.00 WT3 O ATOM 41228 H1 TIP3 4110 25.431 1.731 1.098 1.00 0.00 WT3 H ATOM 41229 H2 TIP3 4110 -2.611 -12.708 -8.037 1.00 0.00 WT3 H ATOM 41230 OH2 TIP3 4111 3.123 7.852 0.802 1.00 0.00 WT3 O ATOM 41231 H1 TIP3 4111 -9.029 8.085 3.335 1.00 0.00 WT3 H ATOM 41232 H2 TIP3 4111 -4.624 -3.137 -2.572 1.00 0.00 WT3 H ATOM 41233 OH2 TIP3 4112 3.026 -8.717 -4.384 1.00 0.00 WT3 O ATOM 41234 H1 TIP3 4112 19.871 5.457 -0.445 1.00 0.00 WT3 H ATOM 41235 H2 TIP3 4112 -2.382 -8.004 -0.356 1.00 0.00 WT3 H ATOM 41236 OH2 TIP3 4113 -5.241 -2.281 -0.907 1.00 0.00 WT3 O ATOM 41237 H1 TIP3 4113 24.217 -7.168 5.488 1.00 0.00 WT3 H ATOM 41238 H2 TIP3 4113 -3.499 -19.942 -0.606 1.00 0.00 WT3 H ATOM 41239 OH2 TIP3 4114 -3.955 -1.849 2.452 1.00 0.00 WT3 O ATOM 41240 H1 TIP3 4114 -9.162 13.422 2.495 1.00 0.00 WT3 H ATOM 41241 H2 TIP3 4114 -5.018 -26.093 11.028 1.00 0.00 WT3 H ATOM 41242 OH2 TIP3 4115 -0.238 -2.026 1.613 1.00 0.00 WT3 O ATOM 41243 H1 TIP3 4115 -15.858 21.953 7.834 1.00 0.00 WT3 H ATOM 41244 H2 TIP3 4115 1.327 -4.706 -14.150 1.00 0.00 WT3 H ATOM 41245 OH2 TIP3 4116 -1.420 7.089 1.497 1.00 0.00 WT3 O ATOM 41246 H1 TIP3 4116 8.774 4.802 -15.642 1.00 0.00 WT3 H ATOM 41247 H2 TIP3 4116 -22.786 19.315 3.836 1.00 0.00 WT3 H ATOM 41248 OH2 TIP3 4117 -4.943 -3.482 0.363 1.00 0.00 WT3 O ATOM 41249 H1 TIP3 4117 -11.424 -9.417 -5.737 1.00 0.00 WT3 H ATOM 41250 H2 TIP3 4117 -8.410 -3.519 -4.130 1.00 0.00 WT3 H ATOM 41251 OH2 TIP3 4118 3.672 -2.364 2.851 1.00 0.00 WT3 O ATOM 41252 H1 TIP3 4118 -1.256 14.003 13.275 1.00 0.00 WT3 H ATOM 41253 H2 TIP3 4118 10.991 -1.215 3.384 1.00 0.00 WT3 H ATOM 41254 OH2 TIP3 4120 -3.066 -2.753 -1.962 1.00 0.00 WT3 O ATOM 41255 H1 TIP3 4120 10.359 14.221 -18.817 1.00 0.00 WT3 H ATOM 41256 H2 TIP3 4120 13.570 1.969 17.235 1.00 0.00 WT3 H ATOM 41257 OH2 TIP3 4121 -5.979 -3.419 1.203 1.00 0.00 WT3 O ATOM 41258 H1 TIP3 4121 -2.841 -14.353 0.065 1.00 0.00 WT3 H ATOM 41259 H2 TIP3 4121 0.521 -25.101 -2.272 1.00 0.00 WT3 H ATOM 41260 OH2 TIP3 4122 -5.692 0.590 -2.317 1.00 0.00 WT3 O ATOM 41261 H1 TIP3 4122 7.389 24.839 4.442 1.00 0.00 WT3 H ATOM 41262 H2 TIP3 4122 2.457 -3.631 -27.859 1.00 0.00 WT3 H ATOM 41263 OH2 TIP3 4123 -2.886 2.974 0.895 1.00 0.00 WT3 O ATOM 41264 H1 TIP3 4123 -8.672 -1.905 10.965 1.00 0.00 WT3 H ATOM 41265 H2 TIP3 4123 -13.027 14.594 6.443 1.00 0.00 WT3 H ATOM 41266 OH2 TIP3 4124 0.189 -2.754 2.674 1.00 0.00 WT3 O ATOM 41267 H1 TIP3 4124 1.248 -1.038 -4.243 1.00 0.00 WT3 H ATOM 41268 H2 TIP3 4124 6.041 1.102 5.326 1.00 0.00 WT3 H ATOM 41269 OH2 TIP3 4127 -2.463 1.193 1.242 1.00 0.00 WT3 O ATOM 41270 H1 TIP3 4127 -8.079 2.987 7.884 1.00 0.00 WT3 H ATOM 41271 H2 TIP3 4127 -2.217 1.162 2.672 1.00 0.00 WT3 H ATOM 41272 OH2 TIP3 4128 -9.135 0.673 -3.600 1.00 0.00 WT3 O ATOM 41273 H1 TIP3 4128 4.319 4.422 0.113 1.00 0.00 WT3 H ATOM 41274 H2 TIP3 4128 -19.111 2.573 0.424 1.00 0.00 WT3 H ATOM 41275 OH2 TIP3 4129 -3.498 2.434 -1.459 1.00 0.00 WT3 O ATOM 41276 H1 TIP3 4129 -4.863 -22.156 6.234 1.00 0.00 WT3 H ATOM 41277 H2 TIP3 4129 -9.678 5.919 -8.209 1.00 0.00 WT3 H ATOM 41278 OH2 TIP3 4130 -1.987 6.753 3.941 1.00 0.00 WT3 O ATOM 41279 H1 TIP3 4130 -13.476 11.952 -27.518 1.00 0.00 WT3 H ATOM 41280 H2 TIP3 4130 -1.097 0.939 -14.701 1.00 0.00 WT3 H ATOM 41281 OH2 TIP3 4131 3.741 0.579 -5.041 1.00 0.00 WT3 O ATOM 41282 H1 TIP3 4131 8.263 4.902 -12.756 1.00 0.00 WT3 H ATOM 41283 H2 TIP3 4131 6.410 1.964 -8.042 1.00 0.00 WT3 H ATOM 41284 OH2 TIP3 4132 0.529 7.530 5.419 1.00 0.00 WT3 O ATOM 41285 H1 TIP3 4132 -1.235 -14.637 5.539 1.00 0.00 WT3 H ATOM 41286 H2 TIP3 4132 2.131 14.556 13.699 1.00 0.00 WT3 H ATOM 41287 OH2 TIP3 4134 3.246 -1.960 4.436 1.00 0.00 WT3 O ATOM 41288 H1 TIP3 4134 10.242 1.895 -0.055 1.00 0.00 WT3 H ATOM 41289 H2 TIP3 4134 -9.029 -14.248 0.953 1.00 0.00 WT3 H ATOM 41290 OH2 TIP3 4136 7.747 -1.056 1.525 1.00 0.00 WT3 O ATOM 41291 H1 TIP3 4136 4.491 6.040 5.235 1.00 0.00 WT3 H ATOM 41292 H2 TIP3 4136 11.946 -3.565 -5.999 1.00 0.00 WT3 H ATOM 41293 OH2 TIP3 4137 0.163 -0.726 -0.574 1.00 0.00 WT3 O ATOM 41294 H1 TIP3 4137 -10.826 6.773 -1.773 1.00 0.00 WT3 H ATOM 41295 H2 TIP3 4137 4.192 -5.455 7.436 1.00 0.00 WT3 H ATOM 41296 OH2 TIP3 4138 0.317 0.557 -0.224 1.00 0.00 WT3 O ATOM 41297 H1 TIP3 4138 -15.463 -16.303 10.994 1.00 0.00 WT3 H ATOM 41298 H2 TIP3 4138 26.845 4.353 11.543 1.00 0.00 WT3 H ATOM 41299 OH2 TIP3 4139 0.225 -3.397 5.952 1.00 0.00 WT3 O ATOM 41300 H1 TIP3 4139 4.817 -17.316 -22.520 1.00 0.00 WT3 H ATOM 41301 H2 TIP3 4139 -3.402 5.986 25.199 1.00 0.00 WT3 H ATOM 41302 OH2 TIP3 4141 5.258 8.205 -2.970 1.00 0.00 WT3 O ATOM 41303 H1 TIP3 4141 4.992 4.988 -8.614 1.00 0.00 WT3 H ATOM 41304 H2 TIP3 4141 6.016 3.128 -2.047 1.00 0.00 WT3 H ATOM 41305 OH2 TIP3 4142 1.806 1.163 1.723 1.00 0.00 WT3 O ATOM 41306 H1 TIP3 4142 0.999 2.543 2.653 1.00 0.00 WT3 H ATOM 41307 H2 TIP3 4142 23.964 -3.912 -3.597 1.00 0.00 WT3 H ATOM 41308 OH2 TIP3 4143 -1.870 -2.850 -0.958 1.00 0.00 WT3 O ATOM 41309 H1 TIP3 4143 -14.652 -1.733 -9.024 1.00 0.00 WT3 H ATOM 41310 H2 TIP3 4143 8.348 16.723 -13.865 1.00 0.00 WT3 H ATOM 41311 OH2 TIP3 4144 2.463 3.688 -0.602 1.00 0.00 WT3 O ATOM 41312 H1 TIP3 4144 5.567 0.668 -14.809 1.00 0.00 WT3 H ATOM 41313 H2 TIP3 4144 3.958 6.471 -10.735 1.00 0.00 WT3 H ATOM 41314 OH2 TIP3 4145 -8.123 2.225 4.881 1.00 0.00 WT3 O ATOM 41315 H1 TIP3 4145 -16.734 11.434 1.797 1.00 0.00 WT3 H ATOM 41316 H2 TIP3 4145 13.972 -19.063 12.400 1.00 0.00 WT3 H ATOM 41317 OH2 TIP3 4146 0.347 -5.546 0.770 1.00 0.00 WT3 O ATOM 41318 H1 TIP3 4146 -10.552 6.335 -6.480 1.00 0.00 WT3 H ATOM 41319 H2 TIP3 4146 -9.789 15.223 -2.086 1.00 0.00 WT3 H ATOM 41320 OH2 TIP3 4151 1.320 -7.094 -0.404 1.00 0.00 WT3 O ATOM 41321 H1 TIP3 4151 -5.884 3.501 0.925 1.00 0.00 WT3 H ATOM 41322 H2 TIP3 4151 -8.154 -7.154 -5.859 1.00 0.00 WT3 H ATOM 41323 OH2 TIP3 4152 3.910 0.974 0.959 1.00 0.00 WT3 O ATOM 41324 H1 TIP3 4152 25.204 4.980 8.216 1.00 0.00 WT3 H ATOM 41325 H2 TIP3 4152 -3.190 12.315 6.241 1.00 0.00 WT3 H ATOM 41326 OH2 TIP3 4154 -1.942 2.589 1.504 1.00 0.00 WT3 O ATOM 41327 H1 TIP3 4154 4.975 20.255 -8.708 1.00 0.00 WT3 H ATOM 41328 H2 TIP3 4154 -3.120 -3.634 19.457 1.00 0.00 WT3 H ATOM 41329 OH2 TIP3 4155 5.911 2.453 -1.936 1.00 0.00 WT3 O ATOM 41330 H1 TIP3 4155 -0.658 -3.567 -1.608 1.00 0.00 WT3 H ATOM 41331 H2 TIP3 4155 -6.711 17.256 -10.265 1.00 0.00 WT3 H ATOM 41332 OH2 TIP3 4156 1.025 0.596 1.972 1.00 0.00 WT3 O ATOM 41333 H1 TIP3 4156 6.246 14.056 1.037 1.00 0.00 WT3 H ATOM 41334 H2 TIP3 4156 0.516 -2.143 0.829 1.00 0.00 WT3 H ATOM 41335 OH2 TIP3 4157 2.108 5.114 -6.094 1.00 0.00 WT3 O ATOM 41336 H1 TIP3 4157 14.235 7.916 -21.141 1.00 0.00 WT3 H ATOM 41337 H2 TIP3 4157 -8.079 1.173 -12.921 1.00 0.00 WT3 H ATOM 41338 OH2 TIP3 4160 2.716 -3.107 -2.092 1.00 0.00 WT3 O ATOM 41339 H1 TIP3 4160 -16.388 26.955 7.279 1.00 0.00 WT3 H ATOM 41340 H2 TIP3 4160 -2.635 -2.273 -20.459 1.00 0.00 WT3 H ATOM 41341 OH2 TIP3 4161 0.054 -7.881 4.132 1.00 0.00 WT3 O ATOM 41342 H1 TIP3 4161 -4.763 -6.107 -5.931 1.00 0.00 WT3 H ATOM 41343 H2 TIP3 4161 8.601 -14.566 -0.252 1.00 0.00 WT3 H ATOM 41344 OH2 TIP3 4162 1.883 2.861 -3.409 1.00 0.00 WT3 O ATOM 41345 H1 TIP3 4162 12.849 -3.987 16.560 1.00 0.00 WT3 H ATOM 41346 H2 TIP3 4162 10.577 -13.566 -15.888 1.00 0.00 WT3 H ATOM 41347 OH2 TIP3 4163 1.348 -1.254 0.512 1.00 0.00 WT3 O ATOM 41348 H1 TIP3 4163 30.470 0.990 -13.836 1.00 0.00 WT3 H ATOM 41349 H2 TIP3 4163 -9.904 0.959 1.969 1.00 0.00 WT3 H ATOM 41350 OH2 TIP3 4164 0.880 4.168 -4.690 1.00 0.00 WT3 O ATOM 41351 H1 TIP3 4164 16.334 21.801 -6.945 1.00 0.00 WT3 H ATOM 41352 H2 TIP3 4164 17.889 -10.707 -6.037 1.00 0.00 WT3 H ATOM 41353 OH2 TIP3 4165 -6.687 -7.500 -6.352 1.00 0.00 WT3 O ATOM 41354 H1 TIP3 4165 -6.817 -23.251 -35.786 1.00 0.00 WT3 H ATOM 41355 H2 TIP3 4165 -4.495 -11.297 -13.361 1.00 0.00 WT3 H ATOM 41356 OH2 TIP3 4166 -4.536 -3.945 -1.110 1.00 0.00 WT3 O ATOM 41357 H1 TIP3 4166 -9.038 8.298 -2.759 1.00 0.00 WT3 H ATOM 41358 H2 TIP3 4166 -1.464 -0.464 8.946 1.00 0.00 WT3 H ATOM 41359 OH2 TIP3 4173 2.549 -3.030 -0.765 1.00 0.00 WT3 O ATOM 41360 H1 TIP3 4173 5.400 5.025 2.605 1.00 0.00 WT3 H ATOM 41361 H2 TIP3 4173 2.418 -2.850 -4.203 1.00 0.00 WT3 H ATOM 41362 OH2 TIP3 4174 -4.188 -2.419 5.087 1.00 0.00 WT3 O ATOM 41363 H1 TIP3 4174 -7.957 -0.487 -0.964 1.00 0.00 WT3 H ATOM 41364 H2 TIP3 4174 -8.551 -4.259 9.869 1.00 0.00 WT3 H ATOM 41365 OH2 TIP3 4175 -1.033 0.284 -2.535 1.00 0.00 WT3 O ATOM 41366 H1 TIP3 4175 -32.377 -25.762 7.779 1.00 0.00 WT3 H ATOM 41367 H2 TIP3 4175 11.468 4.185 -13.415 1.00 0.00 WT3 H ATOM 41368 OH2 TIP3 4176 2.526 4.017 -4.699 1.00 0.00 WT3 O ATOM 41369 H1 TIP3 4176 2.482 5.540 1.834 1.00 0.00 WT3 H ATOM 41370 H2 TIP3 4176 -8.118 -10.531 6.194 1.00 0.00 WT3 H ATOM 41371 OH2 TIP3 4177 3.589 0.998 -2.747 1.00 0.00 WT3 O ATOM 41372 H1 TIP3 4177 15.221 -11.936 -4.732 1.00 0.00 WT3 H ATOM 41373 H2 TIP3 4177 -13.775 -23.843 -0.760 1.00 0.00 WT3 H ATOM 41374 OH2 TIP3 4179 -4.119 0.474 -1.516 1.00 0.00 WT3 O ATOM 41375 H1 TIP3 4179 -2.967 2.952 -4.441 1.00 0.00 WT3 H ATOM 41376 H2 TIP3 4179 0.021 8.238 -12.191 1.00 0.00 WT3 H ATOM 41377 OH2 TIP3 4184 -3.933 1.551 -2.418 1.00 0.00 WT3 O ATOM 41378 H1 TIP3 4184 -23.656 -7.456 -11.609 1.00 0.00 WT3 H ATOM 41379 H2 TIP3 4184 3.850 4.217 -9.129 1.00 0.00 WT3 H ATOM 41380 OH2 TIP3 4185 4.702 -2.234 -4.140 1.00 0.00 WT3 O ATOM 41381 H1 TIP3 4185 -0.908 3.217 5.110 1.00 0.00 WT3 H ATOM 41382 H2 TIP3 4185 9.968 -17.520 -16.490 1.00 0.00 WT3 H ATOM 41383 OH2 TIP3 4186 0.754 8.374 0.336 1.00 0.00 WT3 O ATOM 41384 H1 TIP3 4186 6.207 17.488 -5.300 1.00 0.00 WT3 H ATOM 41385 H2 TIP3 4186 6.823 15.886 -5.525 1.00 0.00 WT3 H ATOM 41386 OH2 TIP3 4191 -7.838 -0.895 -3.114 1.00 0.00 WT3 O ATOM 41387 H1 TIP3 4191 -17.406 1.796 5.559 1.00 0.00 WT3 H ATOM 41388 H2 TIP3 4191 -26.620 13.362 19.172 1.00 0.00 WT3 H ATOM 41389 OH2 TIP3 4196 -4.854 2.735 0.844 1.00 0.00 WT3 O ATOM 41390 H1 TIP3 4196 -10.911 -12.169 -1.332 1.00 0.00 WT3 H ATOM 41391 H2 TIP3 4196 3.048 -0.551 35.987 1.00 0.00 WT3 H ATOM 41392 OH2 TIP3 4197 7.505 -5.471 -1.684 1.00 0.00 WT3 O ATOM 41393 H1 TIP3 4197 -0.202 -16.694 -4.979 1.00 0.00 WT3 H ATOM 41394 H2 TIP3 4197 15.672 5.035 3.347 1.00 0.00 WT3 H ATOM 41395 OH2 TIP3 4201 -1.840 2.917 2.797 1.00 0.00 WT3 O ATOM 41396 H1 TIP3 4201 7.249 -5.070 5.942 1.00 0.00 WT3 H ATOM 41397 H2 TIP3 4201 31.250 -9.462 8.404 1.00 0.00 WT3 H ATOM 41398 OH2 TIP3 4202 -6.347 -7.611 -4.178 1.00 0.00 WT3 O ATOM 41399 H1 TIP3 4202 -6.238 -9.393 -3.558 1.00 0.00 WT3 H ATOM 41400 H2 TIP3 4202 -12.841 13.303 -1.822 1.00 0.00 WT3 H ATOM 41401 OH2 TIP3 4203 -2.110 -5.008 3.090 1.00 0.00 WT3 O ATOM 41402 H1 TIP3 4203 -13.819 -3.448 0.982 1.00 0.00 WT3 H ATOM 41403 H2 TIP3 4203 -3.042 -10.803 4.656 1.00 0.00 WT3 H ATOM 41404 OH2 TIP3 4204 -2.833 -4.011 5.393 1.00 0.00 WT3 O ATOM 41405 H1 TIP3 4204 -1.303 8.651 -23.425 1.00 0.00 WT3 H ATOM 41406 H2 TIP3 4204 1.297 -45.472 13.764 1.00 0.00 WT3 H ATOM 41407 OH2 TIP3 4216 2.021 3.558 0.248 1.00 0.00 WT3 O ATOM 41408 H1 TIP3 4216 -3.377 27.265 -18.193 1.00 0.00 WT3 H ATOM 41409 H2 TIP3 4216 -17.461 7.006 21.785 1.00 0.00 WT3 H ATOM 41410 OH2 TIP3 4221 -5.727 -3.029 8.488 1.00 0.00 WT3 O ATOM 41411 H1 TIP3 4221 -11.825 6.798 -10.970 1.00 0.00 WT3 H ATOM 41412 H2 TIP3 4221 9.543 -0.382 11.979 1.00 0.00 WT3 H ATOM 41413 OH2 TIP3 4223 4.574 3.850 -5.859 1.00 0.00 WT3 O ATOM 41414 H1 TIP3 4223 2.916 1.327 -5.294 1.00 0.00 WT3 H ATOM 41415 H2 TIP3 4223 3.292 2.398 -5.724 1.00 0.00 WT3 H ATOM 41416 OH2 TIP3 4230 -5.779 -2.956 -0.554 1.00 0.00 WT3 O ATOM 41417 H1 TIP3 4230 -10.783 1.663 -1.509 1.00 0.00 WT3 H ATOM 41418 H2 TIP3 4230 -14.985 4.792 -5.092 1.00 0.00 WT3 H ATOM 41419 OH2 TIP3 4237 -4.093 0.153 -4.860 1.00 0.00 WT3 O ATOM 41420 H1 TIP3 4237 35.000 -12.836 2.889 1.00 0.00 WT3 H ATOM 41421 H2 TIP3 4237 2.358 -32.199 0.660 1.00 0.00 WT3 H ATOM 41422 OH2 TIP3 4239 0.180 -5.213 0.513 1.00 0.00 WT3 O ATOM 41423 H1 TIP3 4239 5.183 0.926 -1.611 1.00 0.00 WT3 H ATOM 41424 H2 TIP3 4239 2.638 -7.163 9.387 1.00 0.00 WT3 H ATOM 41425 OH2 TIP3 4240 -2.210 2.334 -4.408 1.00 0.00 WT3 O ATOM 41426 H1 TIP3 4240 -3.543 12.131 -7.494 1.00 0.00 WT3 H ATOM 41427 H2 TIP3 4240 -0.503 -1.271 14.973 1.00 0.00 WT3 H ATOM 41428 OH2 TIP3 4243 2.364 -2.115 2.230 1.00 0.00 WT3 O ATOM 41429 H1 TIP3 4243 9.055 2.877 6.490 1.00 0.00 WT3 H ATOM 41430 H2 TIP3 4243 -3.944 -2.997 7.873 1.00 0.00 WT3 H ATOM 41431 OH2 TIP3 4278 3.834 -3.053 -3.783 1.00 0.00 WT3 O ATOM 41432 H1 TIP3 4278 -7.270 -5.659 5.291 1.00 0.00 WT3 H ATOM 41433 H2 TIP3 4278 12.693 -5.127 1.609 1.00 0.00 WT3 H ATOM 41434 OH2 TIP3 4319 1.174 1.004 2.482 1.00 0.00 WT3 O ATOM 41435 H1 TIP3 4319 -17.472 25.297 14.998 1.00 0.00 WT3 H ATOM 41436 H2 TIP3 4319 -1.664 -5.379 4.735 1.00 0.00 WT3 H ATOM 41437 OH2 TIP3 4323 1.634 -0.539 5.049 1.00 0.00 WT3 O ATOM 41438 H1 TIP3 4323 4.607 3.851 6.561 1.00 0.00 WT3 H ATOM 41439 H2 TIP3 4323 17.519 -13.911 1.661 1.00 0.00 WT3 H ATOM 41440 OH2 TIP3 4356 7.429 -2.909 -5.235 1.00 0.00 WT3 O ATOM 41441 H1 TIP3 4356 -3.549 -26.862 10.475 1.00 0.00 WT3 H ATOM 41442 H2 TIP3 4356 13.668 20.585 -12.499 1.00 0.00 WT3 H ATOM 41443 OH2 TIP3 4374 -2.510 1.234 -1.097 1.00 0.00 WT3 O ATOM 41444 H1 TIP3 4374 -5.890 2.077 16.620 1.00 0.00 WT3 H ATOM 41445 H2 TIP3 4374 0.078 1.129 -18.362 1.00 0.00 WT3 H ATOM 41446 OH2 TIP3 4382 3.378 -0.435 12.459 1.00 0.00 WT3 O ATOM 41447 H1 TIP3 4382 -2.574 -11.479 18.434 1.00 0.00 WT3 H ATOM 41448 H2 TIP3 4382 5.697 7.672 0.525 1.00 0.00 WT3 H ATOM 41449 OH2 TIP3 4394 -2.845 8.078 3.563 1.00 0.00 WT3 O ATOM 41450 H1 TIP3 4394 26.701 26.481 14.176 1.00 0.00 WT3 H ATOM 41451 H2 TIP3 4394 3.548 -6.026 -4.941 1.00 0.00 WT3 H ATOM 41452 OH2 TIP3 4401 1.017 -8.962 2.358 1.00 0.00 WT3 O ATOM 41453 H1 TIP3 4401 6.768 -7.046 -18.168 1.00 0.00 WT3 H ATOM 41454 H2 TIP3 4401 0.423 -8.663 5.517 1.00 0.00 WT3 H ATOM 41455 OH2 TIP3 4404 -0.883 -2.294 -4.735 1.00 0.00 WT3 O ATOM 41456 H1 TIP3 4404 11.074 -6.675 16.102 1.00 0.00 WT3 H ATOM 41457 H2 TIP3 4404 6.821 -11.925 -5.020 1.00 0.00 WT3 H ATOM 41458 OH2 TIP3 4407 -1.918 0.072 -2.309 1.00 0.00 WT3 O ATOM 41459 H1 TIP3 4407 -7.208 -12.123 -14.109 1.00 0.00 WT3 H ATOM 41460 H2 TIP3 4407 -2.772 5.600 -9.399 1.00 0.00 WT3 H ATOM 41461 OH2 TIP3 4409 5.650 2.290 0.097 1.00 0.00 WT3 O ATOM 41462 H1 TIP3 4409 -29.743 3.486 13.235 1.00 0.00 WT3 H ATOM 41463 H2 TIP3 4409 -6.074 -14.000 -22.465 1.00 0.00 WT3 H ATOM 41464 OH2 TIP3 4412 -1.784 -3.155 -3.306 1.00 0.00 WT3 O ATOM 41465 H1 TIP3 4412 8.765 -17.273 -8.638 1.00 0.00 WT3 H ATOM 41466 H2 TIP3 4412 -9.483 12.715 1.666 1.00 0.00 WT3 H ATOM 41467 OH2 TIP3 4414 -1.452 -1.907 1.046 1.00 0.00 WT3 O ATOM 41468 H1 TIP3 4414 4.902 -12.238 0.568 1.00 0.00 WT3 H ATOM 41469 H2 TIP3 4414 -12.658 -2.609 -5.443 1.00 0.00 WT3 H ATOM 41470 OH2 TIP3 4415 1.610 -2.907 -1.326 1.00 0.00 WT3 O ATOM 41471 H1 TIP3 4415 14.140 -2.082 -16.414 1.00 0.00 WT3 H ATOM 41472 H2 TIP3 4415 -3.527 -5.067 19.897 1.00 0.00 WT3 H ATOM 41473 OH2 TIP3 4417 6.090 -2.022 1.390 1.00 0.00 WT3 O ATOM 41474 H1 TIP3 4417 -8.521 -6.699 9.908 1.00 0.00 WT3 H ATOM 41475 H2 TIP3 4417 -5.368 -9.865 3.432 1.00 0.00 WT3 H ATOM 41476 OH2 TIP3 4419 -0.593 0.721 2.412 1.00 0.00 WT3 O ATOM 41477 H1 TIP3 4419 -35.653 -26.907 8.722 1.00 0.00 WT3 H ATOM 41478 H2 TIP3 4419 -9.817 11.746 -0.298 1.00 0.00 WT3 H ATOM 41479 OH2 TIP3 4427 1.638 -5.255 -0.950 1.00 0.00 WT3 O ATOM 41480 H1 TIP3 4427 -12.440 -17.082 3.626 1.00 0.00 WT3 H ATOM 41481 H2 TIP3 4427 -13.539 -10.797 -1.256 1.00 0.00 WT3 H ATOM 41482 OH2 TIP3 4432 -0.906 -1.091 1.264 1.00 0.00 WT3 O ATOM 41483 H1 TIP3 4432 -31.914 -0.540 8.679 1.00 0.00 WT3 H ATOM 41484 H2 TIP3 4432 5.958 4.100 23.337 1.00 0.00 WT3 H ATOM 41485 OH2 TIP3 4433 5.046 -1.464 -0.302 1.00 0.00 WT3 O ATOM 41486 H1 TIP3 4433 0.993 5.945 0.879 1.00 0.00 WT3 H ATOM 41487 H2 TIP3 4433 -4.163 30.990 -4.252 1.00 0.00 WT3 H ATOM 41488 OH2 TIP3 4434 -0.885 -2.348 0.755 1.00 0.00 WT3 O ATOM 41489 H1 TIP3 4434 -6.786 8.932 -5.509 1.00 0.00 WT3 H ATOM 41490 H2 TIP3 4434 -9.426 9.719 -2.287 1.00 0.00 WT3 H ATOM 41491 OH2 TIP3 4436 -2.119 -1.521 -2.356 1.00 0.00 WT3 O ATOM 41492 H1 TIP3 4436 -3.953 -2.172 -1.295 1.00 0.00 WT3 H ATOM 41493 H2 TIP3 4436 9.732 -0.545 -6.093 1.00 0.00 WT3 H ATOM 41494 OH2 TIP3 4437 2.202 -3.443 -4.359 1.00 0.00 WT3 O ATOM 41495 H1 TIP3 4437 11.061 10.811 -10.661 1.00 0.00 WT3 H ATOM 41496 H2 TIP3 4437 9.694 -3.110 -2.299 1.00 0.00 WT3 H ATOM 41497 OH2 TIP3 4438 -3.359 -1.023 -3.431 1.00 0.00 WT3 O ATOM 41498 H1 TIP3 4438 3.052 14.204 -25.825 1.00 0.00 WT3 H ATOM 41499 H2 TIP3 4438 -3.004 -9.618 3.559 1.00 0.00 WT3 H ATOM 41500 OH2 TIP3 4446 6.604 -0.416 -7.485 1.00 0.00 WT3 O ATOM 41501 H1 TIP3 4446 12.442 -9.560 20.977 1.00 0.00 WT3 H ATOM 41502 H2 TIP3 4446 -7.594 -23.440 -26.975 1.00 0.00 WT3 H ATOM 41503 OH2 TIP3 4449 1.253 0.049 3.324 1.00 0.00 WT3 O ATOM 41504 H1 TIP3 4449 1.091 17.949 0.115 1.00 0.00 WT3 H ATOM 41505 H2 TIP3 4449 1.016 -1.960 9.096 1.00 0.00 WT3 H ATOM 41506 OH2 TIP3 4451 -6.138 -3.402 1.249 1.00 0.00 WT3 O ATOM 41507 H1 TIP3 4451 -10.391 5.213 7.969 1.00 0.00 WT3 H ATOM 41508 H2 TIP3 4451 9.085 21.030 -3.614 1.00 0.00 WT3 H ATOM 41509 OH2 TIP3 4453 -2.405 -1.016 6.296 1.00 0.00 WT3 O ATOM 41510 H1 TIP3 4453 -0.538 -8.802 3.316 1.00 0.00 WT3 H ATOM 41511 H2 TIP3 4453 -10.122 -4.164 9.234 1.00 0.00 WT3 H ATOM 41512 OH2 TIP3 4455 -1.238 1.239 -2.992 1.00 0.00 WT3 O ATOM 41513 H1 TIP3 4455 13.794 2.340 21.509 1.00 0.00 WT3 H ATOM 41514 H2 TIP3 4455 -11.672 10.833 1.648 1.00 0.00 WT3 H ATOM 41515 OH2 TIP3 4457 4.854 -5.873 11.029 1.00 0.00 WT3 O ATOM 41516 H1 TIP3 4457 2.173 -20.928 6.311 1.00 0.00 WT3 H ATOM 41517 H2 TIP3 4457 2.545 -6.240 26.747 1.00 0.00 WT3 H ATOM 41518 OH2 TIP3 4460 6.528 -4.689 3.335 1.00 0.00 WT3 O ATOM 41519 H1 TIP3 4460 4.565 14.519 -17.570 1.00 0.00 WT3 H ATOM 41520 H2 TIP3 4460 8.238 -25.065 25.513 1.00 0.00 WT3 H ATOM 41521 OH2 TIP3 4464 0.055 3.066 2.652 1.00 0.00 WT3 O ATOM 41522 H1 TIP3 4464 -6.780 -6.541 4.103 1.00 0.00 WT3 H ATOM 41523 H2 TIP3 4464 -19.749 16.560 -0.059 1.00 0.00 WT3 H ATOM 41524 OH2 TIP3 4467 6.847 -3.603 -2.657 1.00 0.00 WT3 O ATOM 41525 H1 TIP3 4467 25.196 -2.949 8.632 1.00 0.00 WT3 H ATOM 41526 H2 TIP3 4467 -5.431 -4.616 9.148 1.00 0.00 WT3 H ATOM 41527 OH2 TIP3 4468 -0.812 -0.193 2.443 1.00 0.00 WT3 O ATOM 41528 H1 TIP3 4468 -6.946 10.727 3.118 1.00 0.00 WT3 H ATOM 41529 H2 TIP3 4468 -1.235 7.516 -0.578 1.00 0.00 WT3 H ATOM 41530 OH2 TIP3 4470 2.505 0.390 -0.076 1.00 0.00 WT3 O ATOM 41531 H1 TIP3 4470 -13.824 -11.180 -14.094 1.00 0.00 WT3 H ATOM 41532 H2 TIP3 4470 4.871 -5.574 -1.149 1.00 0.00 WT3 H ATOM 41533 OH2 TIP3 4472 -2.791 2.066 -7.802 1.00 0.00 WT3 O ATOM 41534 H1 TIP3 4472 -4.380 0.746 -8.341 1.00 0.00 WT3 H ATOM 41535 H2 TIP3 4472 -4.224 15.024 0.011 1.00 0.00 WT3 H ATOM 41536 OH2 TIP3 4473 1.565 5.041 -6.250 1.00 0.00 WT3 O ATOM 41537 H1 TIP3 4473 -14.195 -12.455 -2.187 1.00 0.00 WT3 H ATOM 41538 H2 TIP3 4473 5.577 14.948 -7.721 1.00 0.00 WT3 H ATOM 41539 OH2 TIP3 4475 1.395 -0.256 -2.716 1.00 0.00 WT3 O ATOM 41540 H1 TIP3 4475 2.047 -6.360 -2.781 1.00 0.00 WT3 H ATOM 41541 H2 TIP3 4475 -20.350 17.734 7.536 1.00 0.00 WT3 H ATOM 41542 OH2 TIP3 4476 1.006 1.494 -3.661 1.00 0.00 WT3 O ATOM 41543 H1 TIP3 4476 22.889 12.503 -5.946 1.00 0.00 WT3 H ATOM 41544 H2 TIP3 4476 -3.300 3.665 -12.133 1.00 0.00 WT3 H ATOM 41545 OH2 TIP3 4477 1.528 -3.097 -0.652 1.00 0.00 WT3 O ATOM 41546 H1 TIP3 4477 -4.435 -3.826 2.951 1.00 0.00 WT3 H ATOM 41547 H2 TIP3 4477 7.405 -10.058 0.879 1.00 0.00 WT3 H ATOM 41548 OH2 TIP3 4478 -6.159 -0.357 5.095 1.00 0.00 WT3 O ATOM 41549 H1 TIP3 4478 -2.904 -33.745 18.351 1.00 0.00 WT3 H ATOM 41550 H2 TIP3 4478 -8.280 -15.395 11.685 1.00 0.00 WT3 H ATOM 41551 OH2 TIP3 4479 -3.083 2.208 1.459 1.00 0.00 WT3 O ATOM 41552 H1 TIP3 4479 1.508 -5.545 -11.403 1.00 0.00 WT3 H ATOM 41553 H2 TIP3 4479 -8.665 5.996 2.612 1.00 0.00 WT3 H ATOM 41554 OH2 TIP3 4480 7.303 0.528 3.183 1.00 0.00 WT3 O ATOM 41555 H1 TIP3 4480 4.508 0.842 8.027 1.00 0.00 WT3 H ATOM 41556 H2 TIP3 4480 -11.129 11.420 31.148 1.00 0.00 WT3 H ATOM 41557 OH2 TIP3 4483 -4.740 -0.157 -4.341 1.00 0.00 WT3 O ATOM 41558 H1 TIP3 4483 0.467 -4.485 23.771 1.00 0.00 WT3 H ATOM 41559 H2 TIP3 4483 5.793 -4.323 -19.655 1.00 0.00 WT3 H ATOM 41560 OH2 TIP3 4484 -0.166 -1.279 -3.087 1.00 0.00 WT3 O ATOM 41561 H1 TIP3 4484 4.139 -0.582 2.363 1.00 0.00 WT3 H ATOM 41562 H2 TIP3 4484 1.418 -5.146 10.196 1.00 0.00 WT3 H ATOM 41563 OH2 TIP3 4485 -0.754 -4.268 -1.504 1.00 0.00 WT3 O ATOM 41564 H1 TIP3 4485 4.328 2.510 4.568 1.00 0.00 WT3 H ATOM 41565 H2 TIP3 4485 5.770 -6.111 -5.933 1.00 0.00 WT3 H ATOM 41566 OH2 TIP3 4489 4.604 -6.284 2.053 1.00 0.00 WT3 O ATOM 41567 H1 TIP3 4489 8.908 3.519 9.899 1.00 0.00 WT3 H ATOM 41568 H2 TIP3 4489 -0.727 -14.843 -4.044 1.00 0.00 WT3 H ATOM 41569 OH2 TIP3 4493 3.778 2.089 1.144 1.00 0.00 WT3 O ATOM 41570 H1 TIP3 4493 21.698 1.093 13.986 1.00 0.00 WT3 H ATOM 41571 H2 TIP3 4493 -10.725 -8.616 14.348 1.00 0.00 WT3 H ATOM 41572 OH2 TIP3 4494 5.792 4.170 0.149 1.00 0.00 WT3 O ATOM 41573 H1 TIP3 4494 -2.660 -15.073 -9.382 1.00 0.00 WT3 H ATOM 41574 H2 TIP3 4494 -2.555 -5.827 -4.324 1.00 0.00 WT3 H ATOM 41575 OH2 TIP3 4495 5.232 -2.115 -2.760 1.00 0.00 WT3 O ATOM 41576 H1 TIP3 4495 3.848 -1.489 7.146 1.00 0.00 WT3 H ATOM 41577 H2 TIP3 4495 13.455 -19.147 9.995 1.00 0.00 WT3 H ATOM 41578 OH2 TIP3 4496 3.247 2.492 -2.308 1.00 0.00 WT3 O ATOM 41579 H1 TIP3 4496 15.335 -9.562 -13.169 1.00 0.00 WT3 H ATOM 41580 H2 TIP3 4496 5.166 20.099 -10.703 1.00 0.00 WT3 H ATOM 41581 OH2 TIP3 4498 -1.687 5.171 -5.366 1.00 0.00 WT3 O ATOM 41582 H1 TIP3 4498 0.570 16.672 3.196 1.00 0.00 WT3 H ATOM 41583 H2 TIP3 4498 10.476 4.100 -11.486 1.00 0.00 WT3 H ATOM 41584 OH2 TIP3 4499 1.333 4.066 3.069 1.00 0.00 WT3 O ATOM 41585 H1 TIP3 4499 -6.588 4.881 -2.844 1.00 0.00 WT3 H ATOM 41586 H2 TIP3 4499 5.478 7.985 3.609 1.00 0.00 WT3 H ATOM 41587 OH2 TIP3 4500 3.562 -5.890 -7.062 1.00 0.00 WT3 O ATOM 41588 H1 TIP3 4500 -4.637 0.270 -16.414 1.00 0.00 WT3 H ATOM 41589 H2 TIP3 4500 2.655 -12.680 -0.222 1.00 0.00 WT3 H ATOM 41590 OH2 TIP3 4501 0.259 1.068 0.140 1.00 0.00 WT3 O ATOM 41591 H1 TIP3 4501 -7.966 9.835 -10.403 1.00 0.00 WT3 H ATOM 41592 H2 TIP3 4501 -1.097 -0.081 -9.415 1.00 0.00 WT3 H ATOM 41593 OH2 TIP3 4503 2.883 3.912 -3.096 1.00 0.00 WT3 O ATOM 41594 H1 TIP3 4503 11.907 -2.438 -18.647 1.00 0.00 WT3 H ATOM 41595 H2 TIP3 4503 15.091 -4.935 -24.883 1.00 0.00 WT3 H ATOM 41596 OH2 TIP3 4506 2.369 1.614 3.531 1.00 0.00 WT3 O ATOM 41597 H1 TIP3 4506 12.706 10.460 15.138 1.00 0.00 WT3 H ATOM 41598 H2 TIP3 4506 13.319 -2.133 -10.239 1.00 0.00 WT3 H ATOM 41599 OH2 TIP3 4508 -5.726 -5.441 -4.584 1.00 0.00 WT3 O ATOM 41600 H1 TIP3 4508 9.930 -27.474 18.458 1.00 0.00 WT3 H ATOM 41601 H2 TIP3 4508 -4.795 -5.807 -3.358 1.00 0.00 WT3 H ATOM 41602 OH2 TIP3 4510 -0.446 3.033 5.148 1.00 0.00 WT3 O ATOM 41603 H1 TIP3 4510 -23.387 -6.493 -13.525 1.00 0.00 WT3 H ATOM 41604 H2 TIP3 4510 0.791 3.969 -7.523 1.00 0.00 WT3 H ATOM 41605 OH2 TIP3 4511 -7.170 -2.404 -1.691 1.00 0.00 WT3 O ATOM 41606 H1 TIP3 4511 -6.810 -10.884 -2.891 1.00 0.00 WT3 H ATOM 41607 H2 TIP3 4511 -24.930 4.953 -2.770 1.00 0.00 WT3 H ATOM 41608 OH2 TIP3 4513 -0.930 2.502 -0.335 1.00 0.00 WT3 O ATOM 41609 H1 TIP3 4513 -23.299 8.702 -12.354 1.00 0.00 WT3 H ATOM 41610 H2 TIP3 4513 -8.461 -10.129 -1.961 1.00 0.00 WT3 H ATOM 41611 OH2 TIP3 4515 0.958 2.178 0.923 1.00 0.00 WT3 O ATOM 41612 H1 TIP3 4515 0.700 -1.196 -11.893 1.00 0.00 WT3 H ATOM 41613 H2 TIP3 4515 1.850 -12.717 -31.816 1.00 0.00 WT3 H ATOM 41614 OH2 TIP3 4516 0.922 3.107 0.302 1.00 0.00 WT3 O ATOM 41615 H1 TIP3 4516 -5.173 17.228 -1.489 1.00 0.00 WT3 H ATOM 41616 H2 TIP3 4516 -2.220 9.088 7.399 1.00 0.00 WT3 H ATOM 41617 OH2 TIP3 4517 -0.452 0.516 -5.214 1.00 0.00 WT3 O ATOM 41618 H1 TIP3 4517 9.031 12.285 -6.452 1.00 0.00 WT3 H ATOM 41619 H2 TIP3 4517 -6.486 0.743 9.192 1.00 0.00 WT3 H ATOM 41620 OH2 TIP3 4518 -1.427 -2.489 -0.747 1.00 0.00 WT3 O ATOM 41621 H1 TIP3 4518 3.603 6.959 -7.430 1.00 0.00 WT3 H ATOM 41622 H2 TIP3 4518 -5.792 -17.501 6.768 1.00 0.00 WT3 H ATOM 41623 OH2 TIP3 4519 -3.732 4.726 0.938 1.00 0.00 WT3 O ATOM 41624 H1 TIP3 4519 -2.859 -14.495 13.400 1.00 0.00 WT3 H ATOM 41625 H2 TIP3 4519 -5.764 -4.369 -15.611 1.00 0.00 WT3 H ATOM 41626 OH2 TIP3 4520 -1.961 2.058 -1.694 1.00 0.00 WT3 O ATOM 41627 H1 TIP3 4520 -1.799 7.832 -2.341 1.00 0.00 WT3 H ATOM 41628 H2 TIP3 4520 -1.622 -2.947 -1.936 1.00 0.00 WT3 H ATOM 41629 OH2 TIP3 4523 -11.429 -1.920 -3.408 1.00 0.00 WT3 O ATOM 41630 H1 TIP3 4523 -2.823 14.317 0.666 1.00 0.00 WT3 H ATOM 41631 H2 TIP3 4523 25.661 15.989 19.402 1.00 0.00 WT3 H ATOM 41632 OH2 TIP3 4524 -7.200 2.991 3.596 1.00 0.00 WT3 O ATOM 41633 H1 TIP3 4524 -0.719 -0.356 7.947 1.00 0.00 WT3 H ATOM 41634 H2 TIP3 4524 10.886 -5.680 -5.974 1.00 0.00 WT3 H ATOM 41635 OH2 TIP3 4526 -5.580 6.605 -0.554 1.00 0.00 WT3 O ATOM 41636 H1 TIP3 4526 -4.094 17.801 26.948 1.00 0.00 WT3 H ATOM 41637 H2 TIP3 4526 -1.609 -1.475 -6.986 1.00 0.00 WT3 H ATOM 41638 OH2 TIP3 4528 -1.218 0.033 -2.091 1.00 0.00 WT3 O ATOM 41639 H1 TIP3 4528 5.018 21.256 -8.807 1.00 0.00 WT3 H ATOM 41640 H2 TIP3 4528 16.870 -14.742 8.226 1.00 0.00 WT3 H ATOM 41641 OH2 TIP3 4530 4.810 -2.292 -3.517 1.00 0.00 WT3 O ATOM 41642 H1 TIP3 4530 6.999 3.014 -10.391 1.00 0.00 WT3 H ATOM 41643 H2 TIP3 4530 2.263 -0.013 -9.006 1.00 0.00 WT3 H ATOM 41644 OH2 TIP3 4532 -2.006 -4.555 -5.554 1.00 0.00 WT3 O ATOM 41645 H1 TIP3 4532 20.132 -6.830 -4.205 1.00 0.00 WT3 H ATOM 41646 H2 TIP3 4532 -15.050 4.801 -7.365 1.00 0.00 WT3 H ATOM 41647 OH2 TIP3 4533 -2.973 0.156 -7.821 1.00 0.00 WT3 O ATOM 41648 H1 TIP3 4533 1.115 -7.405 -3.582 1.00 0.00 WT3 H ATOM 41649 H2 TIP3 4533 0.862 6.467 -2.573 1.00 0.00 WT3 H ATOM 41650 OH2 TIP3 4534 -1.192 -3.639 -6.651 1.00 0.00 WT3 O ATOM 41651 H1 TIP3 4534 3.909 -8.111 6.428 1.00 0.00 WT3 H ATOM 41652 H2 TIP3 4534 8.077 -3.888 3.751 1.00 0.00 WT3 H ATOM 41653 OH2 TIP3 4535 1.776 0.792 -1.423 1.00 0.00 WT3 O ATOM 41654 H1 TIP3 4535 -8.472 -3.501 16.476 1.00 0.00 WT3 H ATOM 41655 H2 TIP3 4535 -4.163 -1.065 6.902 1.00 0.00 WT3 H ATOM 41656 OH2 TIP3 4536 -0.332 3.589 4.144 1.00 0.00 WT3 O ATOM 41657 H1 TIP3 4536 11.487 18.336 43.342 1.00 0.00 WT3 H ATOM 41658 H2 TIP3 4536 12.741 -1.129 -24.848 1.00 0.00 WT3 H ATOM 41659 OH2 TIP3 4537 -7.343 6.199 3.823 1.00 0.00 WT3 O ATOM 41660 H1 TIP3 4537 -19.174 8.867 -9.070 1.00 0.00 WT3 H ATOM 41661 H2 TIP3 4537 10.641 2.799 -10.043 1.00 0.00 WT3 H ATOM 41662 OH2 TIP3 4538 4.342 -0.967 -1.935 1.00 0.00 WT3 O ATOM 41663 H1 TIP3 4538 -2.092 3.820 -6.261 1.00 0.00 WT3 H ATOM 41664 H2 TIP3 4538 -2.659 -2.517 -3.734 1.00 0.00 WT3 H ATOM 41665 OH2 TIP3 4539 -1.667 4.755 2.201 1.00 0.00 WT3 O ATOM 41666 H1 TIP3 4539 -15.139 -3.366 -2.314 1.00 0.00 WT3 H ATOM 41667 H2 TIP3 4539 10.373 6.831 1.849 1.00 0.00 WT3 H ATOM 41668 OH2 TIP3 4541 -1.364 1.916 2.853 1.00 0.00 WT3 O ATOM 41669 H1 TIP3 4541 -13.055 26.545 7.572 1.00 0.00 WT3 H ATOM 41670 H2 TIP3 4541 -2.684 3.556 1.774 1.00 0.00 WT3 H ATOM 41671 OH2 TIP3 4542 0.164 3.305 -5.816 1.00 0.00 WT3 O ATOM 41672 H1 TIP3 4542 -6.691 5.354 -4.346 1.00 0.00 WT3 H ATOM 41673 H2 TIP3 4542 9.585 10.366 9.075 1.00 0.00 WT3 H ATOM 41674 OH2 TIP3 4543 8.906 -4.357 -2.465 1.00 0.00 WT3 O ATOM 41675 H1 TIP3 4543 14.797 -0.156 -4.419 1.00 0.00 WT3 H ATOM 41676 H2 TIP3 4543 -15.678 -23.523 2.361 1.00 0.00 WT3 H ATOM 41677 OH2 TIP3 4544 0.118 2.471 -1.599 1.00 0.00 WT3 O ATOM 41678 H1 TIP3 4544 -2.272 10.739 -3.782 1.00 0.00 WT3 H ATOM 41679 H2 TIP3 4544 4.078 -12.575 3.269 1.00 0.00 WT3 H ATOM 41680 OH2 TIP3 4546 -1.778 -0.331 11.374 1.00 0.00 WT3 O ATOM 41681 H1 TIP3 4546 1.027 -0.472 3.147 1.00 0.00 WT3 H ATOM 41682 H2 TIP3 4546 -31.577 4.801 6.968 1.00 0.00 WT3 H ATOM 41683 OH2 TIP3 4547 2.099 -2.927 0.713 1.00 0.00 WT3 O ATOM 41684 H1 TIP3 4547 1.136 3.369 -0.878 1.00 0.00 WT3 H ATOM 41685 H2 TIP3 4547 -13.465 -16.514 5.423 1.00 0.00 WT3 H ATOM 41686 OH2 TIP3 4548 5.483 -3.324 -6.438 1.00 0.00 WT3 O ATOM 41687 H1 TIP3 4548 -24.635 14.026 14.720 1.00 0.00 WT3 H ATOM 41688 H2 TIP3 4548 -5.669 1.665 -0.351 1.00 0.00 WT3 H ATOM 41689 OH2 TIP3 4549 -0.990 -5.841 -2.697 1.00 0.00 WT3 O ATOM 41690 H1 TIP3 4549 -0.559 -12.398 -2.895 1.00 0.00 WT3 H ATOM 41691 H2 TIP3 4549 8.785 -1.804 -24.296 1.00 0.00 WT3 H ATOM 41692 OH2 TIP3 4552 4.493 -1.618 -5.128 1.00 0.00 WT3 O ATOM 41693 H1 TIP3 4552 -6.908 13.495 -21.164 1.00 0.00 WT3 H ATOM 41694 H2 TIP3 4552 -7.493 -21.446 -10.293 1.00 0.00 WT3 H ATOM 41695 OH2 TIP3 4553 -1.720 -5.628 -3.109 1.00 0.00 WT3 O ATOM 41696 H1 TIP3 4553 7.063 12.105 -11.030 1.00 0.00 WT3 H ATOM 41697 H2 TIP3 4553 -22.538 -5.314 -8.808 1.00 0.00 WT3 H ATOM 41698 OH2 TIP3 4554 3.380 -3.025 1.991 1.00 0.00 WT3 O ATOM 41699 H1 TIP3 4554 -4.008 -10.493 -2.050 1.00 0.00 WT3 H ATOM 41700 H2 TIP3 4554 11.050 7.628 -8.240 1.00 0.00 WT3 H ATOM 41701 OH2 TIP3 4555 0.448 6.684 -1.598 1.00 0.00 WT3 O ATOM 41702 H1 TIP3 4555 -7.110 4.326 -2.078 1.00 0.00 WT3 H ATOM 41703 H2 TIP3 4555 -0.688 15.716 -0.619 1.00 0.00 WT3 H ATOM 41704 OH2 TIP3 4556 -2.955 3.319 5.225 1.00 0.00 WT3 O ATOM 41705 H1 TIP3 4556 -4.652 17.522 0.221 1.00 0.00 WT3 H ATOM 41706 H2 TIP3 4556 4.217 -8.042 -6.661 1.00 0.00 WT3 H ATOM 41707 OH2 TIP3 4557 -2.117 -2.465 0.450 1.00 0.00 WT3 O ATOM 41708 H1 TIP3 4557 -1.718 -0.745 -7.747 1.00 0.00 WT3 H ATOM 41709 H2 TIP3 4557 15.495 3.007 10.968 1.00 0.00 WT3 H ATOM 41710 OH2 TIP3 4558 1.187 6.863 -5.059 1.00 0.00 WT3 O ATOM 41711 H1 TIP3 4558 4.398 -0.559 -6.045 1.00 0.00 WT3 H ATOM 41712 H2 TIP3 4558 2.773 2.004 -5.787 1.00 0.00 WT3 H ATOM 41713 OH2 TIP3 4559 1.436 -2.540 1.537 1.00 0.00 WT3 O ATOM 41714 H1 TIP3 4559 -6.082 14.001 -15.768 1.00 0.00 WT3 H ATOM 41715 H2 TIP3 4559 -19.070 4.122 -3.271 1.00 0.00 WT3 H ATOM 41716 OH2 TIP3 4560 -0.313 0.237 2.611 1.00 0.00 WT3 O ATOM 41717 H1 TIP3 4560 2.705 4.421 -0.170 1.00 0.00 WT3 H ATOM 41718 H2 TIP3 4560 15.747 2.444 -2.706 1.00 0.00 WT3 H ATOM 41719 OH2 TIP3 4561 0.118 -9.407 1.667 1.00 0.00 WT3 O ATOM 41720 H1 TIP3 4561 9.003 -5.518 4.838 1.00 0.00 WT3 H ATOM 41721 H2 TIP3 4561 -5.371 -10.364 9.805 1.00 0.00 WT3 H ATOM 41722 OH2 TIP3 4562 4.181 -0.326 3.149 1.00 0.00 WT3 O ATOM 41723 H1 TIP3 4562 -11.757 23.780 6.396 1.00 0.00 WT3 H ATOM 41724 H2 TIP3 4562 -6.613 -1.267 9.822 1.00 0.00 WT3 H ATOM 41725 OH2 TIP3 4564 -3.065 -4.446 2.533 1.00 0.00 WT3 O ATOM 41726 H1 TIP3 4564 -7.840 -0.358 8.057 1.00 0.00 WT3 H ATOM 41727 H2 TIP3 4564 0.346 -2.922 2.988 1.00 0.00 WT3 H ATOM 41728 OH2 TIP3 4566 -3.936 6.442 -3.218 1.00 0.00 WT3 O ATOM 41729 H1 TIP3 4566 -0.674 17.913 3.830 1.00 0.00 WT3 H ATOM 41730 H2 TIP3 4566 3.883 21.776 -8.617 1.00 0.00 WT3 H ATOM 41731 OH2 TIP3 4567 -7.645 -2.262 1.238 1.00 0.00 WT3 O ATOM 41732 H1 TIP3 4567 -6.377 2.809 4.420 1.00 0.00 WT3 H ATOM 41733 H2 TIP3 4567 -5.736 -2.242 7.047 1.00 0.00 WT3 H ATOM 41734 OH2 TIP3 4568 -0.838 7.352 4.557 1.00 0.00 WT3 O ATOM 41735 H1 TIP3 4568 8.875 21.713 5.469 1.00 0.00 WT3 H ATOM 41736 H2 TIP3 4568 -3.445 2.503 21.607 1.00 0.00 WT3 H ATOM 41737 OH2 TIP3 4569 7.729 3.369 4.872 1.00 0.00 WT3 O ATOM 41738 H1 TIP3 4569 3.548 3.792 31.649 1.00 0.00 WT3 H ATOM 41739 H2 TIP3 4569 -1.025 -25.201 -4.168 1.00 0.00 WT3 H ATOM 41740 OH2 TIP3 4570 -2.012 0.871 -3.567 1.00 0.00 WT3 O ATOM 41741 H1 TIP3 4570 -4.242 -1.083 -7.226 1.00 0.00 WT3 H ATOM 41742 H2 TIP3 4570 12.698 -1.360 6.630 1.00 0.00 WT3 H ATOM 41743 OH2 TIP3 4571 -1.886 -5.923 -4.504 1.00 0.00 WT3 O ATOM 41744 H1 TIP3 4571 14.044 -0.557 -21.831 1.00 0.00 WT3 H ATOM 41745 H2 TIP3 4571 -33.868 -16.804 28.731 1.00 0.00 WT3 H ATOM 41746 OH2 TIP3 4572 -2.457 9.514 -3.891 1.00 0.00 WT3 O ATOM 41747 H1 TIP3 4572 1.664 8.907 2.688 1.00 0.00 WT3 H ATOM 41748 H2 TIP3 4572 -7.714 -2.747 6.761 1.00 0.00 WT3 H ATOM 41749 OH2 TIP3 4573 4.752 2.007 -0.155 1.00 0.00 WT3 O ATOM 41750 H1 TIP3 4573 1.908 10.836 -4.568 1.00 0.00 WT3 H ATOM 41751 H2 TIP3 4573 7.203 4.976 2.279 1.00 0.00 WT3 H ATOM 41752 OH2 TIP3 4574 3.415 -2.979 -11.408 1.00 0.00 WT3 O ATOM 41753 H1 TIP3 4574 4.308 -12.130 -11.692 1.00 0.00 WT3 H ATOM 41754 H2 TIP3 4574 6.213 -6.951 -13.324 1.00 0.00 WT3 H ATOM 41755 OH2 TIP3 4575 0.372 4.381 1.184 1.00 0.00 WT3 O ATOM 41756 H1 TIP3 4575 9.803 3.032 3.964 1.00 0.00 WT3 H ATOM 41757 H2 TIP3 4575 -0.797 -2.594 5.561 1.00 0.00 WT3 H ATOM 41758 OH2 TIP3 4576 -6.488 -2.426 -0.277 1.00 0.00 WT3 O ATOM 41759 H1 TIP3 4576 15.256 -16.308 20.192 1.00 0.00 WT3 H ATOM 41760 H2 TIP3 4576 -5.877 -0.941 5.058 1.00 0.00 WT3 H ATOM 41761 OH2 TIP3 4578 -0.683 -0.301 8.422 1.00 0.00 WT3 O ATOM 41762 H1 TIP3 4578 23.482 -21.034 -11.056 1.00 0.00 WT3 H ATOM 41763 H2 TIP3 4578 -5.655 8.022 23.751 1.00 0.00 WT3 H ATOM 41764 OH2 TIP3 4579 1.900 2.870 -2.291 1.00 0.00 WT3 O ATOM 41765 H1 TIP3 4579 2.491 -2.168 -8.035 1.00 0.00 WT3 H ATOM 41766 H2 TIP3 4579 16.509 -11.558 6.289 1.00 0.00 WT3 H ATOM 41767 OH2 TIP3 4581 3.359 -1.981 3.728 1.00 0.00 WT3 O ATOM 41768 H1 TIP3 4581 0.596 10.581 -6.822 1.00 0.00 WT3 H ATOM 41769 H2 TIP3 4581 -6.848 2.852 -0.079 1.00 0.00 WT3 H ATOM 41770 OH2 TIP3 4582 3.016 -5.074 -3.505 1.00 0.00 WT3 O ATOM 41771 H1 TIP3 4582 0.781 1.103 -12.630 1.00 0.00 WT3 H ATOM 41772 H2 TIP3 4582 -10.452 -5.404 0.832 1.00 0.00 WT3 H ATOM 41773 OH2 TIP3 4585 -3.867 -1.015 -4.646 1.00 0.00 WT3 O ATOM 41774 H1 TIP3 4585 -15.760 2.344 -6.253 1.00 0.00 WT3 H ATOM 41775 H2 TIP3 4585 -8.308 5.035 -3.410 1.00 0.00 WT3 H ATOM 41776 OH2 TIP3 4586 -1.162 4.413 -3.128 1.00 0.00 WT3 O ATOM 41777 H1 TIP3 4586 25.878 -4.398 -6.932 1.00 0.00 WT3 H ATOM 41778 H2 TIP3 4586 -7.082 -19.007 4.733 1.00 0.00 WT3 H ATOM 41779 OH2 TIP3 4587 -1.308 1.748 -1.979 1.00 0.00 WT3 O ATOM 41780 H1 TIP3 4587 2.162 25.377 20.185 1.00 0.00 WT3 H ATOM 41781 H2 TIP3 4587 -14.352 -23.900 -6.656 1.00 0.00 WT3 H ATOM 41782 OH2 TIP3 4588 6.435 2.891 -2.571 1.00 0.00 WT3 O ATOM 41783 H1 TIP3 4588 10.740 7.434 -8.102 1.00 0.00 WT3 H ATOM 41784 H2 TIP3 4588 -7.709 -7.624 10.999 1.00 0.00 WT3 H ATOM 41785 OH2 TIP3 4592 5.895 -3.785 -2.247 1.00 0.00 WT3 O ATOM 41786 H1 TIP3 4592 -0.817 2.094 -6.601 1.00 0.00 WT3 H ATOM 41787 H2 TIP3 4592 -8.747 4.093 -6.731 1.00 0.00 WT3 H ATOM 41788 OH2 TIP3 4594 4.227 0.954 0.303 1.00 0.00 WT3 O ATOM 41789 H1 TIP3 4594 -8.038 8.635 -4.434 1.00 0.00 WT3 H ATOM 41790 H2 TIP3 4594 11.079 -3.559 2.346 1.00 0.00 WT3 H ATOM 41791 OH2 TIP3 4596 6.723 -1.664 -6.852 1.00 0.00 WT3 O ATOM 41792 H1 TIP3 4596 5.524 -15.702 -22.023 1.00 0.00 WT3 H ATOM 41793 H2 TIP3 4596 21.109 -1.469 3.264 1.00 0.00 WT3 H ATOM 41794 OH2 TIP3 4597 2.829 4.170 -6.488 1.00 0.00 WT3 O ATOM 41795 H1 TIP3 4597 22.102 -5.131 4.616 1.00 0.00 WT3 H ATOM 41796 H2 TIP3 4597 6.113 25.070 -0.824 1.00 0.00 WT3 H ATOM 41797 OH2 TIP3 4598 2.523 -1.514 -2.673 1.00 0.00 WT3 O ATOM 41798 H1 TIP3 4598 -2.448 11.472 10.148 1.00 0.00 WT3 H ATOM 41799 H2 TIP3 4598 5.733 0.678 -5.976 1.00 0.00 WT3 H ATOM 41800 OH2 TIP3 4599 -2.322 3.462 -4.146 1.00 0.00 WT3 O ATOM 41801 H1 TIP3 4599 23.711 -4.932 2.517 1.00 0.00 WT3 H ATOM 41802 H2 TIP3 4599 20.189 -5.590 1.752 1.00 0.00 WT3 H ATOM 41803 OH2 TIP3 4600 0.783 -2.021 -4.290 1.00 0.00 WT3 O ATOM 41804 H1 TIP3 4600 -11.005 12.694 1.763 1.00 0.00 WT3 H ATOM 41805 H2 TIP3 4600 -1.801 -0.132 -0.161 1.00 0.00 WT3 H ATOM 41806 OH2 TIP3 4605 3.396 8.683 -5.091 1.00 0.00 WT3 O ATOM 41807 H1 TIP3 4605 -5.458 17.111 21.667 1.00 0.00 WT3 H ATOM 41808 H2 TIP3 4605 6.992 8.525 -5.352 1.00 0.00 WT3 H ATOM 41809 OH2 TIP3 4606 -0.309 -0.182 2.132 1.00 0.00 WT3 O ATOM 41810 H1 TIP3 4606 10.916 -8.897 0.761 1.00 0.00 WT3 H ATOM 41811 H2 TIP3 4606 -10.604 -9.521 2.507 1.00 0.00 WT3 H ATOM 41812 OH2 TIP3 4607 3.450 3.496 -4.433 1.00 0.00 WT3 O ATOM 41813 H1 TIP3 4607 -3.763 0.715 3.892 1.00 0.00 WT3 H ATOM 41814 H2 TIP3 4607 18.642 4.930 -16.762 1.00 0.00 WT3 H ATOM 41815 OH2 TIP3 4610 -0.748 1.037 -5.926 1.00 0.00 WT3 O ATOM 41816 H1 TIP3 4610 1.437 -31.046 -8.409 1.00 0.00 WT3 H ATOM 41817 H2 TIP3 4610 15.430 -19.433 11.021 1.00 0.00 WT3 H ATOM 41818 OH2 TIP3 4611 -8.002 -0.723 -0.534 1.00 0.00 WT3 O ATOM 41819 H1 TIP3 4611 -0.616 1.618 11.965 1.00 0.00 WT3 H ATOM 41820 H2 TIP3 4611 -13.133 -10.909 -15.423 1.00 0.00 WT3 H ATOM 41821 OH2 TIP3 4612 -1.213 1.007 -2.829 1.00 0.00 WT3 O ATOM 41822 H1 TIP3 4612 -4.834 -3.634 -14.477 1.00 0.00 WT3 H ATOM 41823 H2 TIP3 4612 -19.591 -5.118 -30.234 1.00 0.00 WT3 H ATOM 41824 OH2 TIP3 4614 0.742 -4.852 1.812 1.00 0.00 WT3 O ATOM 41825 H1 TIP3 4614 11.744 -8.497 -1.849 1.00 0.00 WT3 H ATOM 41826 H2 TIP3 4614 7.079 -20.347 11.719 1.00 0.00 WT3 H ATOM 41827 OH2 TIP3 4615 1.932 -5.714 -0.284 1.00 0.00 WT3 O ATOM 41828 H1 TIP3 4615 25.526 0.791 -8.473 1.00 0.00 WT3 H ATOM 41829 H2 TIP3 4615 7.364 1.629 4.691 1.00 0.00 WT3 H ATOM 41830 OH2 TIP3 4616 3.407 0.750 -1.427 1.00 0.00 WT3 O ATOM 41831 H1 TIP3 4616 2.707 11.186 -4.494 1.00 0.00 WT3 H ATOM 41832 H2 TIP3 4616 1.115 -6.097 4.515 1.00 0.00 WT3 H ATOM 41833 OH2 TIP3 4617 4.683 3.856 3.620 1.00 0.00 WT3 O ATOM 41834 H1 TIP3 4617 16.314 11.594 -2.453 1.00 0.00 WT3 H ATOM 41835 H2 TIP3 4617 -0.751 10.790 3.691 1.00 0.00 WT3 H ATOM 41836 OH2 TIP3 4619 -8.281 -5.190 -0.609 1.00 0.00 WT3 O ATOM 41837 H1 TIP3 4619 20.972 -5.814 -7.387 1.00 0.00 WT3 H ATOM 41838 H2 TIP3 4619 -7.702 -12.995 25.655 1.00 0.00 WT3 H ATOM 41839 OH2 TIP3 4620 -3.780 2.570 1.646 1.00 0.00 WT3 O ATOM 41840 H1 TIP3 4620 0.453 -3.988 10.029 1.00 0.00 WT3 H ATOM 41841 H2 TIP3 4620 -0.963 -4.946 -12.742 1.00 0.00 WT3 H ATOM 41842 OH2 TIP3 4624 -2.801 -7.084 2.952 1.00 0.00 WT3 O ATOM 41843 H1 TIP3 4624 -19.372 -12.733 -5.342 1.00 0.00 WT3 H ATOM 41844 H2 TIP3 4624 -17.637 -25.995 -4.016 1.00 0.00 WT3 H ATOM 41845 OH2 TIP3 4625 0.081 2.171 4.033 1.00 0.00 WT3 O ATOM 41846 H1 TIP3 4625 -22.714 12.631 28.722 1.00 0.00 WT3 H ATOM 41847 H2 TIP3 4625 8.699 -6.773 -9.741 1.00 0.00 WT3 H ATOM 41848 OH2 TIP3 4626 3.712 -1.000 -0.089 1.00 0.00 WT3 O ATOM 41849 H1 TIP3 4626 -15.796 3.453 19.651 1.00 0.00 WT3 H ATOM 41850 H2 TIP3 4626 -0.983 -31.116 4.044 1.00 0.00 WT3 H ATOM 41851 OH2 TIP3 4628 1.652 -0.111 2.152 1.00 0.00 WT3 O ATOM 41852 H1 TIP3 4628 4.099 0.219 0.967 1.00 0.00 WT3 H ATOM 41853 H2 TIP3 4628 7.757 0.333 5.871 1.00 0.00 WT3 H ATOM 41854 OH2 TIP3 4630 -1.138 1.135 1.087 1.00 0.00 WT3 O ATOM 41855 H1 TIP3 4630 22.865 3.444 -5.414 1.00 0.00 WT3 H ATOM 41856 H2 TIP3 4630 -1.453 6.293 -0.747 1.00 0.00 WT3 H ATOM 41857 OH2 TIP3 4631 -0.376 -0.117 0.908 1.00 0.00 WT3 O ATOM 41858 H1 TIP3 4631 -2.500 -11.809 7.510 1.00 0.00 WT3 H ATOM 41859 H2 TIP3 4631 13.609 2.456 -2.405 1.00 0.00 WT3 H ATOM 41860 OH2 TIP3 4638 -7.877 4.597 -9.931 1.00 0.00 WT3 O ATOM 41861 H1 TIP3 4638 -13.902 5.667 -0.329 1.00 0.00 WT3 H ATOM 41862 H2 TIP3 4638 6.879 -1.978 -7.014 1.00 0.00 WT3 H ATOM 41863 OH2 TIP3 4639 -1.209 -2.580 -5.256 1.00 0.00 WT3 O ATOM 41864 H1 TIP3 4639 -1.239 -15.570 0.449 1.00 0.00 WT3 H ATOM 41865 H2 TIP3 4639 27.906 -23.203 36.283 1.00 0.00 WT3 H ATOM 41866 OH2 TIP3 4644 0.678 0.448 0.355 1.00 0.00 WT3 O ATOM 41867 H1 TIP3 4644 6.796 7.460 3.920 1.00 0.00 WT3 H ATOM 41868 H2 TIP3 4644 -7.940 -3.686 -7.960 1.00 0.00 WT3 H ATOM 41869 OH2 TIP3 4649 -1.409 -3.433 -3.368 1.00 0.00 WT3 O ATOM 41870 H1 TIP3 4649 14.602 -4.150 -4.973 1.00 0.00 WT3 H ATOM 41871 H2 TIP3 4649 -4.840 6.710 -10.057 1.00 0.00 WT3 H ATOM 41872 OH2 TIP3 4654 -1.487 1.306 -0.674 1.00 0.00 WT3 O ATOM 41873 H1 TIP3 4654 -0.886 9.132 -6.690 1.00 0.00 WT3 H ATOM 41874 H2 TIP3 4654 -6.635 -2.872 11.236 1.00 0.00 WT3 H ATOM 41875 OH2 TIP3 4656 -1.886 0.341 6.577 1.00 0.00 WT3 O ATOM 41876 H1 TIP3 4656 -6.920 -1.987 4.829 1.00 0.00 WT3 H ATOM 41877 H2 TIP3 4656 -1.579 1.082 5.723 1.00 0.00 WT3 H ATOM 41878 OH2 TIP3 4657 8.820 -7.466 -2.092 1.00 0.00 WT3 O ATOM 41879 H1 TIP3 4657 31.381 -7.637 -0.715 1.00 0.00 WT3 H ATOM 41880 H2 TIP3 4657 -19.284 19.619 18.490 1.00 0.00 WT3 H ATOM 41881 OH2 TIP3 4662 -1.204 0.535 -1.146 1.00 0.00 WT3 O ATOM 41882 H1 TIP3 4662 8.814 -19.069 1.497 1.00 0.00 WT3 H ATOM 41883 H2 TIP3 4662 18.908 -26.300 -42.816 1.00 0.00 WT3 H ATOM 41884 OH2 TIP3 4663 -8.540 -0.492 3.277 1.00 0.00 WT3 O ATOM 41885 H1 TIP3 4663 6.815 1.644 -0.843 1.00 0.00 WT3 H ATOM 41886 H2 TIP3 4663 -5.216 -0.092 -0.896 1.00 0.00 WT3 H ATOM 41887 OH2 TIP3 4695 -0.040 1.869 -3.928 1.00 0.00 WT3 O ATOM 41888 H1 TIP3 4695 12.456 -10.028 -1.448 1.00 0.00 WT3 H ATOM 41889 H2 TIP3 4695 15.169 -6.287 -6.237 1.00 0.00 WT3 H ATOM 41890 OH2 TIP3 4701 4.688 -6.844 -1.867 1.00 0.00 WT3 O ATOM 41891 H1 TIP3 4701 11.641 -9.749 -12.227 1.00 0.00 WT3 H ATOM 41892 H2 TIP3 4701 -2.475 10.463 -3.431 1.00 0.00 WT3 H ATOM 41893 OH2 TIP3 4719 4.692 -1.123 -1.289 1.00 0.00 WT3 O ATOM 41894 H1 TIP3 4719 9.155 1.088 8.738 1.00 0.00 WT3 H ATOM 41895 H2 TIP3 4719 -0.956 -8.611 -5.361 1.00 0.00 WT3 H ATOM 41896 OH2 TIP3 4725 -0.655 2.087 -1.094 1.00 0.00 WT3 O ATOM 41897 H1 TIP3 4725 9.399 -3.734 -10.772 1.00 0.00 WT3 H ATOM 41898 H2 TIP3 4725 1.922 10.664 -6.363 1.00 0.00 WT3 H ATOM 41899 OH2 TIP3 4797 2.302 1.557 4.284 1.00 0.00 WT3 O ATOM 41900 H1 TIP3 4797 -5.530 -8.761 10.522 1.00 0.00 WT3 H ATOM 41901 H2 TIP3 4797 14.795 7.377 10.064 1.00 0.00 WT3 H ATOM 41902 OH2 TIP3 4807 2.204 -2.336 4.474 1.00 0.00 WT3 O ATOM 41903 H1 TIP3 4807 8.517 1.822 -31.828 1.00 0.00 WT3 H ATOM 41904 H2 TIP3 4807 3.051 8.622 3.275 1.00 0.00 WT3 H ATOM 41905 OH2 TIP3 4808 0.598 3.048 1.316 1.00 0.00 WT3 O ATOM 41906 H1 TIP3 4808 17.531 1.565 11.603 1.00 0.00 WT3 H ATOM 41907 H2 TIP3 4808 5.302 -8.811 -14.710 1.00 0.00 WT3 H ATOM 41908 OH2 TIP3 4809 -0.268 -1.907 -0.563 1.00 0.00 WT3 O ATOM 41909 H1 TIP3 4809 5.075 -5.104 6.580 1.00 0.00 WT3 H ATOM 41910 H2 TIP3 4809 0.839 -9.665 1.153 1.00 0.00 WT3 H ATOM 41911 OH2 TIP3 4814 3.080 1.595 -7.549 1.00 0.00 WT3 O ATOM 41912 H1 TIP3 4814 6.513 -23.054 -8.667 1.00 0.00 WT3 H ATOM 41913 H2 TIP3 4814 4.337 0.552 -20.201 1.00 0.00 WT3 H ATOM 41914 OH2 TIP3 4834 4.546 4.962 0.795 1.00 0.00 WT3 O ATOM 41915 H1 TIP3 4834 6.171 9.621 6.603 1.00 0.00 WT3 H ATOM 41916 H2 TIP3 4834 -4.254 -3.596 -10.068 1.00 0.00 WT3 H ATOM 41917 OH2 TIP3 4835 2.878 5.511 -1.728 1.00 0.00 WT3 O ATOM 41918 H1 TIP3 4835 -11.361 -5.928 -13.594 1.00 0.00 WT3 H ATOM 41919 H2 TIP3 4835 0.382 2.534 -4.435 1.00 0.00 WT3 H ATOM 41920 OH2 TIP3 4836 1.346 -2.770 3.220 1.00 0.00 WT3 O ATOM 41921 H1 TIP3 4836 5.310 -7.144 -6.952 1.00 0.00 WT3 H ATOM 41922 H2 TIP3 4836 -23.783 36.422 11.632 1.00 0.00 WT3 H ATOM 41923 OH2 TIP3 4844 -2.710 -4.620 -4.510 1.00 0.00 WT3 O ATOM 41924 H1 TIP3 4844 5.739 -11.555 -2.613 1.00 0.00 WT3 H ATOM 41925 H2 TIP3 4844 13.308 6.801 14.317 1.00 0.00 WT3 H ATOM 41926 OH2 TIP3 4845 2.156 -1.894 6.209 1.00 0.00 WT3 O ATOM 41927 H1 TIP3 4845 1.211 -4.155 5.131 1.00 0.00 WT3 H ATOM 41928 H2 TIP3 4845 2.564 -11.779 -14.548 1.00 0.00 WT3 H ATOM 41929 OH2 TIP3 4847 0.558 -1.906 -6.449 1.00 0.00 WT3 O ATOM 41930 H1 TIP3 4847 22.379 4.226 21.968 1.00 0.00 WT3 H ATOM 41931 H2 TIP3 4847 11.460 -34.604 20.877 1.00 0.00 WT3 H ATOM 41932 OH2 TIP3 4849 2.222 -3.977 -2.914 1.00 0.00 WT3 O ATOM 41933 H1 TIP3 4849 27.748 -29.993 4.416 1.00 0.00 WT3 H ATOM 41934 H2 TIP3 4849 -21.453 -2.092 12.493 1.00 0.00 WT3 H ATOM 41935 OH2 TIP3 4851 -2.065 -4.586 0.116 1.00 0.00 WT3 O ATOM 41936 H1 TIP3 4851 5.690 -3.241 -2.630 1.00 0.00 WT3 H ATOM 41937 H2 TIP3 4851 -10.404 -3.331 1.895 1.00 0.00 WT3 H ATOM 41938 OH2 TIP3 4853 1.721 1.479 4.514 1.00 0.00 WT3 O ATOM 41939 H1 TIP3 4853 1.157 -2.869 2.645 1.00 0.00 WT3 H ATOM 41940 H2 TIP3 4853 2.134 20.058 -4.315 1.00 0.00 WT3 H ATOM 41941 OH2 TIP3 4855 -1.446 -0.037 1.026 1.00 0.00 WT3 O ATOM 41942 H1 TIP3 4855 2.420 -1.560 -7.584 1.00 0.00 WT3 H ATOM 41943 H2 TIP3 4855 -5.992 -4.335 15.392 1.00 0.00 WT3 H ATOM 41944 OH2 TIP3 4857 -0.881 -2.231 0.056 1.00 0.00 WT3 O ATOM 41945 H1 TIP3 4857 -3.350 -6.660 -2.431 1.00 0.00 WT3 H ATOM 41946 H2 TIP3 4857 2.735 -0.428 -5.146 1.00 0.00 WT3 H ATOM 41947 OH2 TIP3 4863 -7.042 10.058 3.710 1.00 0.00 WT3 O ATOM 41948 H1 TIP3 4863 -4.787 2.376 -0.905 1.00 0.00 WT3 H ATOM 41949 H2 TIP3 4863 1.860 3.893 4.526 1.00 0.00 WT3 H ATOM 41950 OH2 TIP3 4864 0.882 6.960 -6.882 1.00 0.00 WT3 O ATOM 41951 H1 TIP3 4864 4.801 -5.275 -19.379 1.00 0.00 WT3 H ATOM 41952 H2 TIP3 4864 5.773 9.033 -13.478 1.00 0.00 WT3 H ATOM 41953 OH2 TIP3 4870 -6.954 -0.073 -0.189 1.00 0.00 WT3 O ATOM 41954 H1 TIP3 4870 3.715 -17.321 2.300 1.00 0.00 WT3 H ATOM 41955 H2 TIP3 4870 -14.451 3.495 17.437 1.00 0.00 WT3 H ATOM 41956 OH2 TIP3 4872 0.694 2.065 1.546 1.00 0.00 WT3 O ATOM 41957 H1 TIP3 4872 17.265 11.409 15.792 1.00 0.00 WT3 H ATOM 41958 H2 TIP3 4872 1.955 7.912 4.113 1.00 0.00 WT3 H ATOM 41959 OH2 TIP3 4873 -4.730 0.534 1.315 1.00 0.00 WT3 O ATOM 41960 H1 TIP3 4873 2.582 1.428 12.576 1.00 0.00 WT3 H ATOM 41961 H2 TIP3 4873 -21.720 5.606 -21.708 1.00 0.00 WT3 H ATOM 41962 OH2 TIP3 4875 0.080 -0.008 3.112 1.00 0.00 WT3 O ATOM 41963 H1 TIP3 4875 -17.135 14.154 21.960 1.00 0.00 WT3 H ATOM 41964 H2 TIP3 4875 2.417 -11.296 -4.199 1.00 0.00 WT3 H ATOM 41965 OH2 TIP3 4877 2.114 -10.267 7.221 1.00 0.00 WT3 O ATOM 41966 H1 TIP3 4877 -1.335 -16.985 10.652 1.00 0.00 WT3 H ATOM 41967 H2 TIP3 4877 0.672 -17.662 9.352 1.00 0.00 WT3 H ATOM 41968 OH2 TIP3 4881 3.034 -5.651 -2.487 1.00 0.00 WT3 O ATOM 41969 H1 TIP3 4881 2.216 -8.371 6.014 1.00 0.00 WT3 H ATOM 41970 H2 TIP3 4881 1.253 -10.003 0.328 1.00 0.00 WT3 H ATOM 41971 OH2 TIP3 4888 -0.788 -3.708 2.526 1.00 0.00 WT3 O ATOM 41972 H1 TIP3 4888 -10.429 -21.029 1.881 1.00 0.00 WT3 H ATOM 41973 H2 TIP3 4888 2.372 -8.024 7.229 1.00 0.00 WT3 H ATOM 41974 OH2 TIP3 4893 -2.938 1.363 -4.430 1.00 0.00 WT3 O ATOM 41975 H1 TIP3 4893 -30.761 8.616 -2.320 1.00 0.00 WT3 H ATOM 41976 H2 TIP3 4893 24.327 -19.419 -16.922 1.00 0.00 WT3 H ATOM 41977 OH2 TIP3 4894 3.171 0.919 0.222 1.00 0.00 WT3 O ATOM 41978 H1 TIP3 4894 -3.309 12.295 -11.481 1.00 0.00 WT3 H ATOM 41979 H2 TIP3 4894 10.658 -10.855 0.399 1.00 0.00 WT3 H ATOM 41980 OH2 TIP3 4895 1.365 1.954 -1.979 1.00 0.00 WT3 O ATOM 41981 H1 TIP3 4895 12.829 -7.482 -2.037 1.00 0.00 WT3 H ATOM 41982 H2 TIP3 4895 -9.622 -6.576 8.014 1.00 0.00 WT3 H ATOM 41983 OH2 TIP3 4896 0.620 0.775 -6.200 1.00 0.00 WT3 O ATOM 41984 H1 TIP3 4896 -3.306 -7.371 -0.364 1.00 0.00 WT3 H ATOM 41985 H2 TIP3 4896 -3.327 7.748 -9.209 1.00 0.00 WT3 H ATOM 41986 OH2 TIP3 4897 1.699 -4.950 9.265 1.00 0.00 WT3 O ATOM 41987 H1 TIP3 4897 16.813 -6.405 -0.767 1.00 0.00 WT3 H ATOM 41988 H2 TIP3 4897 -21.233 -6.121 4.684 1.00 0.00 WT3 H ATOM 41989 OH2 TIP3 4898 -2.482 -0.456 -4.130 1.00 0.00 WT3 O ATOM 41990 H1 TIP3 4898 12.821 -37.680 1.211 1.00 0.00 WT3 H ATOM 41991 H2 TIP3 4898 -2.405 -15.876 -3.507 1.00 0.00 WT3 H ATOM 41992 OH2 TIP3 4899 -3.982 -6.392 4.010 1.00 0.00 WT3 O ATOM 41993 H1 TIP3 4899 -6.395 -5.604 2.086 1.00 0.00 WT3 H ATOM 41994 H2 TIP3 4899 -17.039 -8.233 6.762 1.00 0.00 WT3 H ATOM 41995 OH2 TIP3 4902 -1.027 -4.674 2.529 1.00 0.00 WT3 O ATOM 41996 H1 TIP3 4902 -6.710 27.234 -7.803 1.00 0.00 WT3 H ATOM 41997 H2 TIP3 4902 0.148 20.306 -8.927 1.00 0.00 WT3 H ATOM 41998 OH2 TIP3 4905 3.565 -0.763 -6.212 1.00 0.00 WT3 O ATOM 41999 H1 TIP3 4905 -14.739 1.890 4.145 1.00 0.00 WT3 H ATOM 42000 H2 TIP3 4905 0.208 -0.355 -22.930 1.00 0.00 WT3 H ATOM 42001 OH2 TIP3 4906 1.764 7.276 0.039 1.00 0.00 WT3 O ATOM 42002 H1 TIP3 4906 -14.799 -24.706 -4.733 1.00 0.00 WT3 H ATOM 42003 H2 TIP3 4906 -1.575 -1.724 -2.359 1.00 0.00 WT3 H ATOM 42004 OH2 TIP3 4909 2.040 8.049 -0.418 1.00 0.00 WT3 O ATOM 42005 H1 TIP3 4909 2.878 4.077 5.455 1.00 0.00 WT3 H ATOM 42006 H2 TIP3 4909 6.703 2.172 -3.543 1.00 0.00 WT3 H ATOM 42007 OH2 TIP3 4910 1.722 7.128 0.066 1.00 0.00 WT3 O ATOM 42008 H1 TIP3 4910 10.345 -28.622 -10.115 1.00 0.00 WT3 H ATOM 42009 H2 TIP3 4910 1.463 1.971 -0.887 1.00 0.00 WT3 H ATOM 42010 OH2 TIP3 4913 4.233 -0.932 -0.383 1.00 0.00 WT3 O ATOM 42011 H1 TIP3 4913 2.345 -6.241 -1.252 1.00 0.00 WT3 H ATOM 42012 H2 TIP3 4913 17.360 -7.135 14.732 1.00 0.00 WT3 H ATOM 42013 OH2 TIP3 4914 -8.418 1.121 -0.981 1.00 0.00 WT3 O ATOM 42014 H1 TIP3 4914 -10.705 -5.965 -0.335 1.00 0.00 WT3 H ATOM 42015 H2 TIP3 4914 -6.279 4.803 -2.585 1.00 0.00 WT3 H ATOM 42016 OH2 TIP3 4915 -1.607 4.181 4.240 1.00 0.00 WT3 O ATOM 42017 H1 TIP3 4915 9.442 10.910 -3.771 1.00 0.00 WT3 H ATOM 42018 H2 TIP3 4915 -10.179 3.072 -5.007 1.00 0.00 WT3 H ATOM 42019 OH2 TIP3 4916 7.308 -4.657 6.719 1.00 0.00 WT3 O ATOM 42020 H1 TIP3 4916 -0.582 -11.638 10.119 1.00 0.00 WT3 H ATOM 42021 H2 TIP3 4916 1.626 3.192 10.708 1.00 0.00 WT3 H ATOM 42022 OH2 TIP3 4917 -0.999 7.373 -6.826 1.00 0.00 WT3 O ATOM 42023 H1 TIP3 4917 -1.359 21.475 27.834 1.00 0.00 WT3 H ATOM 42024 H2 TIP3 4917 -3.673 7.843 -5.937 1.00 0.00 WT3 H ATOM 42025 OH2 TIP3 4919 2.617 1.717 6.032 1.00 0.00 WT3 O ATOM 42026 H1 TIP3 4919 1.977 4.124 -22.220 1.00 0.00 WT3 H ATOM 42027 H2 TIP3 4919 7.238 2.794 19.508 1.00 0.00 WT3 H ATOM 42028 OH2 TIP3 4920 -3.522 -3.040 -3.188 1.00 0.00 WT3 O ATOM 42029 H1 TIP3 4920 -9.014 14.938 2.309 1.00 0.00 WT3 H ATOM 42030 H2 TIP3 4920 9.399 0.778 -9.860 1.00 0.00 WT3 H ATOM 42031 OH2 TIP3 4922 -0.887 -6.697 -0.358 1.00 0.00 WT3 O ATOM 42032 H1 TIP3 4922 -2.104 -5.066 -0.028 1.00 0.00 WT3 H ATOM 42033 H2 TIP3 4922 -2.871 -22.885 -2.181 1.00 0.00 WT3 H ATOM 42034 OH2 TIP3 4924 -0.670 -3.767 -1.559 1.00 0.00 WT3 O ATOM 42035 H1 TIP3 4924 -0.018 -4.314 5.102 1.00 0.00 WT3 H ATOM 42036 H2 TIP3 4924 -1.477 -2.822 4.493 1.00 0.00 WT3 H ATOM 42037 OH2 TIP3 4928 1.710 2.645 11.672 1.00 0.00 WT3 O ATOM 42038 H1 TIP3 4928 16.551 19.544 11.653 1.00 0.00 WT3 H ATOM 42039 H2 TIP3 4928 -4.329 9.360 17.809 1.00 0.00 WT3 H ATOM 42040 OH2 TIP3 4929 -3.309 -3.565 2.007 1.00 0.00 WT3 O ATOM 42041 H1 TIP3 4929 -11.147 12.734 -9.167 1.00 0.00 WT3 H ATOM 42042 H2 TIP3 4929 10.715 -10.160 -10.024 1.00 0.00 WT3 H ATOM 42043 OH2 TIP3 4931 0.137 -2.866 4.145 1.00 0.00 WT3 O ATOM 42044 H1 TIP3 4931 2.887 -5.571 -4.656 1.00 0.00 WT3 H ATOM 42045 H2 TIP3 4931 -13.096 -3.758 -2.412 1.00 0.00 WT3 H ATOM 42046 OH2 TIP3 4933 -1.718 3.243 2.014 1.00 0.00 WT3 O ATOM 42047 H1 TIP3 4933 27.961 9.172 1.996 1.00 0.00 WT3 H ATOM 42048 H2 TIP3 4933 7.434 25.589 21.627 1.00 0.00 WT3 H ATOM 42049 OH2 TIP3 4934 6.127 -6.414 -5.298 1.00 0.00 WT3 O ATOM 42050 H1 TIP3 4934 2.323 -10.690 -8.406 1.00 0.00 WT3 H ATOM 42051 H2 TIP3 4934 9.451 4.510 0.722 1.00 0.00 WT3 H ATOM 42052 OH2 TIP3 4935 -2.319 -1.364 -3.434 1.00 0.00 WT3 O ATOM 42053 H1 TIP3 4935 -12.016 -2.861 20.047 1.00 0.00 WT3 H ATOM 42054 H2 TIP3 4935 3.566 2.163 -11.115 1.00 0.00 WT3 H ATOM 42055 OH2 TIP3 4936 -0.745 3.905 -6.121 1.00 0.00 WT3 O ATOM 42056 H1 TIP3 4936 4.020 5.072 2.686 1.00 0.00 WT3 H ATOM 42057 H2 TIP3 4936 -3.009 5.544 -10.536 1.00 0.00 WT3 H ATOM 42058 OH2 TIP3 4937 -2.983 2.427 7.824 1.00 0.00 WT3 O ATOM 42059 H1 TIP3 4937 7.037 6.266 1.879 1.00 0.00 WT3 H ATOM 42060 H2 TIP3 4937 -17.263 6.258 -5.935 1.00 0.00 WT3 H ATOM 42061 OH2 TIP3 4938 2.826 4.074 2.267 1.00 0.00 WT3 O ATOM 42062 H1 TIP3 4938 2.303 -0.321 3.902 1.00 0.00 WT3 H ATOM 42063 H2 TIP3 4938 -9.591 -6.909 5.892 1.00 0.00 WT3 H ATOM 42064 OH2 TIP3 4939 -5.395 1.223 0.887 1.00 0.00 WT3 O ATOM 42065 H1 TIP3 4939 -0.475 -12.519 -20.947 1.00 0.00 WT3 H ATOM 42066 H2 TIP3 4939 -15.621 4.179 -7.312 1.00 0.00 WT3 H ATOM 42067 OH2 TIP3 4940 4.894 0.547 -2.849 1.00 0.00 WT3 O ATOM 42068 H1 TIP3 4940 -4.806 15.107 -10.786 1.00 0.00 WT3 H ATOM 42069 H2 TIP3 4940 -5.214 15.756 -11.296 1.00 0.00 WT3 H ATOM 42070 OH2 TIP3 4942 -3.397 2.077 -4.034 1.00 0.00 WT3 O ATOM 42071 H1 TIP3 4942 1.973 0.526 -17.985 1.00 0.00 WT3 H ATOM 42072 H2 TIP3 4942 -33.399 4.251 -35.453 1.00 0.00 WT3 H ATOM 42073 OH2 TIP3 4943 0.274 -3.984 -5.540 1.00 0.00 WT3 O ATOM 42074 H1 TIP3 4943 -2.046 -10.405 -0.756 1.00 0.00 WT3 H ATOM 42075 H2 TIP3 4943 8.966 -16.079 5.018 1.00 0.00 WT3 H ATOM 42076 OH2 TIP3 4944 8.104 8.043 2.800 1.00 0.00 WT3 O ATOM 42077 H1 TIP3 4944 17.747 9.261 11.705 1.00 0.00 WT3 H ATOM 42078 H2 TIP3 4944 -12.204 -5.329 -1.568 1.00 0.00 WT3 H ATOM 42079 OH2 TIP3 4945 0.498 -0.591 -2.312 1.00 0.00 WT3 O ATOM 42080 H1 TIP3 4945 0.687 -11.163 14.353 1.00 0.00 WT3 H ATOM 42081 H2 TIP3 4945 13.428 -15.807 -8.650 1.00 0.00 WT3 H ATOM 42082 OH2 TIP3 4946 -2.621 -4.258 3.682 1.00 0.00 WT3 O ATOM 42083 H1 TIP3 4946 -9.277 -0.156 4.641 1.00 0.00 WT3 H ATOM 42084 H2 TIP3 4946 5.692 9.628 11.414 1.00 0.00 WT3 H ATOM 42085 OH2 TIP3 4949 1.373 -0.724 1.797 1.00 0.00 WT3 O ATOM 42086 H1 TIP3 4949 3.055 -2.321 -0.279 1.00 0.00 WT3 H ATOM 42087 H2 TIP3 4949 1.905 -16.444 28.948 1.00 0.00 WT3 H ATOM 42088 OH2 TIP3 4950 0.204 1.711 -0.555 1.00 0.00 WT3 O ATOM 42089 H1 TIP3 4950 20.163 4.708 -6.567 1.00 0.00 WT3 H ATOM 42090 H2 TIP3 4950 -25.083 1.885 -18.706 1.00 0.00 WT3 H ATOM 42091 OH2 TIP3 4953 3.913 -1.241 4.313 1.00 0.00 WT3 O ATOM 42092 H1 TIP3 4953 -3.371 0.696 2.103 1.00 0.00 WT3 H ATOM 42093 H2 TIP3 4953 -0.179 -9.580 8.103 1.00 0.00 WT3 H ATOM 42094 OH2 TIP3 4954 0.296 -1.853 3.526 1.00 0.00 WT3 O ATOM 42095 H1 TIP3 4954 2.605 -13.798 15.625 1.00 0.00 WT3 H ATOM 42096 H2 TIP3 4954 11.237 7.158 -0.088 1.00 0.00 WT3 H ATOM 42097 OH2 TIP3 4955 0.206 -0.679 0.401 1.00 0.00 WT3 O ATOM 42098 H1 TIP3 4955 -6.044 -13.409 3.461 1.00 0.00 WT3 H ATOM 42099 H2 TIP3 4955 15.167 -4.330 -6.353 1.00 0.00 WT3 H ATOM 42100 OH2 TIP3 4956 2.260 -4.676 -2.290 1.00 0.00 WT3 O ATOM 42101 H1 TIP3 4956 -9.129 -12.808 -21.754 1.00 0.00 WT3 H ATOM 42102 H2 TIP3 4956 -1.884 -2.813 -5.396 1.00 0.00 WT3 H ATOM 42103 OH2 TIP3 4957 0.669 0.922 3.055 1.00 0.00 WT3 O ATOM 42104 H1 TIP3 4957 2.111 8.773 -19.039 1.00 0.00 WT3 H ATOM 42105 H2 TIP3 4957 4.073 -10.751 -12.659 1.00 0.00 WT3 H ATOM 42106 OH2 TIP3 4958 -2.601 -3.157 -6.155 1.00 0.00 WT3 O ATOM 42107 H1 TIP3 4958 2.590 0.879 -0.419 1.00 0.00 WT3 H ATOM 42108 H2 TIP3 4958 -8.144 3.179 -9.747 1.00 0.00 WT3 H ATOM 42109 OH2 TIP3 4959 4.384 2.201 1.504 1.00 0.00 WT3 O ATOM 42110 H1 TIP3 4959 12.366 -8.816 -0.188 1.00 0.00 WT3 H ATOM 42111 H2 TIP3 4959 14.781 6.310 13.931 1.00 0.00 WT3 H ATOM 42112 OH2 TIP3 4960 -2.730 -3.302 0.207 1.00 0.00 WT3 O ATOM 42113 H1 TIP3 4960 -4.808 -9.991 -3.460 1.00 0.00 WT3 H ATOM 42114 H2 TIP3 4960 -5.396 0.515 -1.728 1.00 0.00 WT3 H ATOM 42115 OH2 TIP3 4961 -6.045 -7.235 -2.192 1.00 0.00 WT3 O ATOM 42116 H1 TIP3 4961 2.940 -2.497 -19.800 1.00 0.00 WT3 H ATOM 42117 H2 TIP3 4961 3.538 0.070 -18.757 1.00 0.00 WT3 H ATOM 42118 OH2 TIP3 4962 3.545 -0.315 -1.418 1.00 0.00 WT3 O ATOM 42119 H1 TIP3 4962 6.444 -6.774 0.926 1.00 0.00 WT3 H ATOM 42120 H2 TIP3 4962 2.309 2.045 3.334 1.00 0.00 WT3 H ATOM 42121 OH2 TIP3 4963 1.424 1.231 -1.154 1.00 0.00 WT3 O ATOM 42122 H1 TIP3 4963 -9.339 5.953 -1.318 1.00 0.00 WT3 H ATOM 42123 H2 TIP3 4963 -2.198 -0.571 3.631 1.00 0.00 WT3 H ATOM 42124 OH2 TIP3 4964 -4.141 4.111 -8.673 1.00 0.00 WT3 O ATOM 42125 H1 TIP3 4964 20.182 6.668 -2.518 1.00 0.00 WT3 H ATOM 42126 H2 TIP3 4964 -7.604 6.216 -0.586 1.00 0.00 WT3 H ATOM 42127 OH2 TIP3 4965 1.717 2.170 -1.469 1.00 0.00 WT3 O ATOM 42128 H1 TIP3 4965 0.652 -0.998 24.864 1.00 0.00 WT3 H ATOM 42129 H2 TIP3 4965 0.089 14.505 5.890 1.00 0.00 WT3 H ATOM 42130 OH2 TIP3 4967 1.438 0.902 -4.306 1.00 0.00 WT3 O ATOM 42131 H1 TIP3 4967 10.454 10.707 -15.485 1.00 0.00 WT3 H ATOM 42132 H2 TIP3 4967 14.516 1.655 4.151 1.00 0.00 WT3 H ATOM 42133 OH2 TIP3 4968 3.200 4.589 -3.686 1.00 0.00 WT3 O ATOM 42134 H1 TIP3 4968 -8.887 -1.759 -16.610 1.00 0.00 WT3 H ATOM 42135 H2 TIP3 4968 5.845 -8.252 -2.580 1.00 0.00 WT3 H ATOM 42136 OH2 TIP3 4970 3.577 0.855 6.242 1.00 0.00 WT3 O ATOM 42137 H1 TIP3 4970 9.906 -7.233 20.468 1.00 0.00 WT3 H ATOM 42138 H2 TIP3 4970 -10.002 11.374 12.168 1.00 0.00 WT3 H ATOM 42139 OH2 TIP3 4971 -2.933 -4.237 1.318 1.00 0.00 WT3 O ATOM 42140 H1 TIP3 4971 -8.239 -2.481 -3.801 1.00 0.00 WT3 H ATOM 42141 H2 TIP3 4971 -4.095 -10.925 3.481 1.00 0.00 WT3 H ATOM 42142 OH2 TIP3 4972 -3.176 7.196 1.952 1.00 0.00 WT3 O ATOM 42143 H1 TIP3 4972 -8.620 18.674 8.215 1.00 0.00 WT3 H ATOM 42144 H2 TIP3 4972 -17.689 10.015 2.927 1.00 0.00 WT3 H ATOM 42145 OH2 TIP3 4973 -8.028 0.064 -2.245 1.00 0.00 WT3 O ATOM 42146 H1 TIP3 4973 -0.532 7.196 -12.453 1.00 0.00 WT3 H ATOM 42147 H2 TIP3 4973 -2.076 3.073 6.271 1.00 0.00 WT3 H ATOM 42148 OH2 TIP3 4974 0.203 -2.753 2.051 1.00 0.00 WT3 O ATOM 42149 H1 TIP3 4974 -0.011 -5.620 8.643 1.00 0.00 WT3 H ATOM 42150 H2 TIP3 4974 -2.464 -1.205 3.717 1.00 0.00 WT3 H ATOM 42151 OH2 TIP3 4975 3.130 -4.683 -7.761 1.00 0.00 WT3 O ATOM 42152 H1 TIP3 4975 5.799 -0.094 -12.704 1.00 0.00 WT3 H ATOM 42153 H2 TIP3 4975 -1.409 13.425 9.044 1.00 0.00 WT3 H ATOM 42154 OH2 TIP3 4976 -1.811 11.952 5.235 1.00 0.00 WT3 O ATOM 42155 H1 TIP3 4976 22.733 -6.629 1.406 1.00 0.00 WT3 H ATOM 42156 H2 TIP3 4976 -17.220 -18.362 15.501 1.00 0.00 WT3 H ATOM 42157 OH2 TIP3 4977 1.213 5.088 2.978 1.00 0.00 WT3 O ATOM 42158 H1 TIP3 4977 9.939 8.384 4.109 1.00 0.00 WT3 H ATOM 42159 H2 TIP3 4977 5.746 15.668 -15.096 1.00 0.00 WT3 H ATOM 42160 OH2 TIP3 4978 -2.643 1.349 -2.634 1.00 0.00 WT3 O ATOM 42161 H1 TIP3 4978 -5.225 12.673 -5.793 1.00 0.00 WT3 H ATOM 42162 H2 TIP3 4978 0.485 10.665 -1.823 1.00 0.00 WT3 H ATOM 42163 OH2 TIP3 4979 -4.931 -0.368 9.390 1.00 0.00 WT3 O ATOM 42164 H1 TIP3 4979 -15.973 -17.667 21.003 1.00 0.00 WT3 H ATOM 42165 H2 TIP3 4979 8.208 -7.524 5.190 1.00 0.00 WT3 H ATOM 42166 OH2 TIP3 4980 7.458 6.327 3.988 1.00 0.00 WT3 O ATOM 42167 H1 TIP3 4980 -6.969 -6.242 0.017 1.00 0.00 WT3 H ATOM 42168 H2 TIP3 4980 1.090 -4.262 -0.203 1.00 0.00 WT3 H ATOM 42169 OH2 TIP3 4981 -0.790 -5.683 5.058 1.00 0.00 WT3 O ATOM 42170 H1 TIP3 4981 -9.333 2.559 27.652 1.00 0.00 WT3 H ATOM 42171 H2 TIP3 4981 11.923 -14.093 -35.718 1.00 0.00 WT3 H ATOM 42172 OH2 TIP3 4982 0.947 -0.836 3.928 1.00 0.00 WT3 O ATOM 42173 H1 TIP3 4982 2.512 16.785 -21.389 1.00 0.00 WT3 H ATOM 42174 H2 TIP3 4982 14.815 -6.918 -8.999 1.00 0.00 WT3 H ATOM 42175 OH2 TIP3 4983 3.176 3.763 -0.055 1.00 0.00 WT3 O ATOM 42176 H1 TIP3 4983 -2.305 -0.620 -9.042 1.00 0.00 WT3 H ATOM 42177 H2 TIP3 4983 -17.880 33.911 25.823 1.00 0.00 WT3 H ATOM 42178 OH2 TIP3 4985 5.230 -5.544 3.425 1.00 0.00 WT3 O ATOM 42179 H1 TIP3 4985 -3.908 -11.821 -2.334 1.00 0.00 WT3 H ATOM 42180 H2 TIP3 4985 1.547 -0.955 5.647 1.00 0.00 WT3 H ATOM 42181 OH2 TIP3 4987 1.951 7.776 1.698 1.00 0.00 WT3 O ATOM 42182 H1 TIP3 4987 -2.764 -1.024 -3.234 1.00 0.00 WT3 H ATOM 42183 H2 TIP3 4987 -12.712 -10.991 4.273 1.00 0.00 WT3 H ATOM 42184 OH2 TIP3 4989 1.185 5.730 -3.356 1.00 0.00 WT3 O ATOM 42185 H1 TIP3 4989 0.640 19.521 3.483 1.00 0.00 WT3 H ATOM 42186 H2 TIP3 4989 2.569 6.159 -10.039 1.00 0.00 WT3 H ATOM 42187 OH2 TIP3 4991 -2.659 -1.270 0.974 1.00 0.00 WT3 O ATOM 42188 H1 TIP3 4991 3.725 7.250 -4.065 1.00 0.00 WT3 H ATOM 42189 H2 TIP3 4991 -1.100 -8.660 -18.553 1.00 0.00 WT3 H ATOM 42190 OH2 TIP3 4994 -1.387 1.341 2.522 1.00 0.00 WT3 O ATOM 42191 H1 TIP3 4994 0.265 -8.533 -5.445 1.00 0.00 WT3 H ATOM 42192 H2 TIP3 4994 3.136 -13.152 -2.813 1.00 0.00 WT3 H ATOM 42193 OH2 TIP3 4995 -4.677 3.303 7.428 1.00 0.00 WT3 O ATOM 42194 H1 TIP3 4995 15.256 20.692 3.220 1.00 0.00 WT3 H ATOM 42195 H2 TIP3 4995 -6.934 11.653 16.473 1.00 0.00 WT3 H ATOM 42196 OH2 TIP3 4996 -5.273 1.166 -4.447 1.00 0.00 WT3 O ATOM 42197 H1 TIP3 4996 4.266 -1.253 -2.100 1.00 0.00 WT3 H ATOM 42198 H2 TIP3 4996 -14.741 1.394 -4.903 1.00 0.00 WT3 H ATOM 42199 OH2 TIP3 4998 2.806 3.486 -4.028 1.00 0.00 WT3 O ATOM 42200 H1 TIP3 4998 21.082 10.216 32.838 1.00 0.00 WT3 H ATOM 42201 H2 TIP3 4998 0.338 2.098 -5.380 1.00 0.00 WT3 H ATOM 42202 OH2 TIP3 4999 -1.340 4.152 1.907 1.00 0.00 WT3 O ATOM 42203 H1 TIP3 4999 -6.226 1.416 7.583 1.00 0.00 WT3 H ATOM 42204 H2 TIP3 4999 8.888 13.066 -3.035 1.00 0.00 WT3 H ATOM 42205 OH2 TIP3 5000 1.032 7.061 -0.474 1.00 0.00 WT3 O ATOM 42206 H1 TIP3 5000 -1.426 -0.637 10.535 1.00 0.00 WT3 H ATOM 42207 H2 TIP3 5000 0.526 6.353 0.172 1.00 0.00 WT3 H ATOM 42208 OH2 TIP3 5001 3.317 0.414 6.804 1.00 0.00 WT3 O ATOM 42209 H1 TIP3 5001 13.391 8.117 10.456 1.00 0.00 WT3 H ATOM 42210 H2 TIP3 5001 -1.391 2.948 12.208 1.00 0.00 WT3 H ATOM 42211 OH2 TIP3 5002 1.532 -0.816 -4.095 1.00 0.00 WT3 O ATOM 42212 H1 TIP3 5002 -2.937 -1.087 -9.148 1.00 0.00 WT3 H ATOM 42213 H2 TIP3 5002 -1.854 -0.766 1.496 1.00 0.00 WT3 H ATOM 42214 OH2 TIP3 5003 5.538 -2.908 -3.689 1.00 0.00 WT3 O ATOM 42215 H1 TIP3 5003 0.810 9.692 -3.436 1.00 0.00 WT3 H ATOM 42216 H2 TIP3 5003 8.334 9.151 13.676 1.00 0.00 WT3 H ATOM 42217 OH2 TIP3 5004 0.540 -2.678 -5.007 1.00 0.00 WT3 O ATOM 42218 H1 TIP3 5004 1.732 7.255 -5.204 1.00 0.00 WT3 H ATOM 42219 H2 TIP3 5004 16.919 -27.979 -20.925 1.00 0.00 WT3 H ATOM 42220 OH2 TIP3 5005 -1.731 7.995 0.297 1.00 0.00 WT3 O ATOM 42221 H1 TIP3 5005 4.650 -5.674 -4.070 1.00 0.00 WT3 H ATOM 42222 H2 TIP3 5005 1.979 4.398 15.261 1.00 0.00 WT3 H ATOM 42223 OH2 TIP3 5006 -6.285 4.714 1.394 1.00 0.00 WT3 O ATOM 42224 H1 TIP3 5006 -2.596 -3.908 13.954 1.00 0.00 WT3 H ATOM 42225 H2 TIP3 5006 -2.876 18.904 6.577 1.00 0.00 WT3 H ATOM 42226 OH2 TIP3 5007 -1.570 -0.126 0.053 1.00 0.00 WT3 O ATOM 42227 H1 TIP3 5007 1.065 -5.388 -3.779 1.00 0.00 WT3 H ATOM 42228 H2 TIP3 5007 0.507 1.210 0.118 1.00 0.00 WT3 H ATOM 42229 OH2 TIP3 5008 6.606 0.237 0.662 1.00 0.00 WT3 O ATOM 42230 H1 TIP3 5008 15.388 5.703 7.406 1.00 0.00 WT3 H ATOM 42231 H2 TIP3 5008 -20.634 -4.367 -13.387 1.00 0.00 WT3 H ATOM 42232 OH2 TIP3 5009 1.358 4.675 0.247 1.00 0.00 WT3 O ATOM 42233 H1 TIP3 5009 22.486 12.833 -7.516 1.00 0.00 WT3 H ATOM 42234 H2 TIP3 5009 22.808 -1.147 -13.960 1.00 0.00 WT3 H ATOM 42235 OH2 TIP3 5010 -1.703 5.720 -1.795 1.00 0.00 WT3 O ATOM 42236 H1 TIP3 5010 -7.236 17.231 -8.627 1.00 0.00 WT3 H ATOM 42237 H2 TIP3 5010 3.572 2.271 9.299 1.00 0.00 WT3 H ATOM 42238 OH2 TIP3 5011 -1.700 2.756 3.418 1.00 0.00 WT3 O ATOM 42239 H1 TIP3 5011 1.608 -0.334 2.480 1.00 0.00 WT3 H ATOM 42240 H2 TIP3 5011 2.652 -9.760 -3.302 1.00 0.00 WT3 H ATOM 42241 OH2 TIP3 5012 -2.345 -0.765 0.661 1.00 0.00 WT3 O ATOM 42242 H1 TIP3 5012 -4.843 -2.281 -1.896 1.00 0.00 WT3 H ATOM 42243 H2 TIP3 5012 0.453 -9.092 1.428 1.00 0.00 WT3 H ATOM 42244 OH2 TIP3 5013 -7.279 6.428 -0.017 1.00 0.00 WT3 O ATOM 42245 H1 TIP3 5013 4.152 -0.020 -9.681 1.00 0.00 WT3 H ATOM 42246 H2 TIP3 5013 -25.688 -7.484 1.763 1.00 0.00 WT3 H ATOM 42247 OH2 TIP3 5014 0.293 -1.390 -1.507 1.00 0.00 WT3 O ATOM 42248 H1 TIP3 5014 10.324 -8.048 5.977 1.00 0.00 WT3 H ATOM 42249 H2 TIP3 5014 4.375 5.785 -7.771 1.00 0.00 WT3 H ATOM 42250 OH2 TIP3 5015 3.456 9.985 0.105 1.00 0.00 WT3 O ATOM 42251 H1 TIP3 5015 -4.628 3.041 21.583 1.00 0.00 WT3 H ATOM 42252 H2 TIP3 5015 4.627 7.499 3.270 1.00 0.00 WT3 H ATOM 42253 OH2 TIP3 5016 1.124 1.425 1.822 1.00 0.00 WT3 O ATOM 42254 H1 TIP3 5016 11.256 -0.369 8.736 1.00 0.00 WT3 H ATOM 42255 H2 TIP3 5016 27.131 -9.999 19.242 1.00 0.00 WT3 H ATOM 42256 OH2 TIP3 5017 -3.436 3.497 -1.987 1.00 0.00 WT3 O ATOM 42257 H1 TIP3 5017 -0.485 3.968 2.677 1.00 0.00 WT3 H ATOM 42258 H2 TIP3 5017 -12.185 8.469 -14.734 1.00 0.00 WT3 H ATOM 42259 OH2 TIP3 5018 -1.444 -0.376 1.024 1.00 0.00 WT3 O ATOM 42260 H1 TIP3 5018 3.497 6.913 -8.462 1.00 0.00 WT3 H ATOM 42261 H2 TIP3 5018 29.841 15.045 -11.617 1.00 0.00 WT3 H ATOM 42262 OH2 TIP3 5019 -0.707 -0.063 -5.577 1.00 0.00 WT3 O ATOM 42263 H1 TIP3 5019 -6.743 -22.111 -0.507 1.00 0.00 WT3 H ATOM 42264 H2 TIP3 5019 26.167 -8.410 -10.019 1.00 0.00 WT3 H ATOM 42265 OH2 TIP3 5020 4.982 0.467 -2.837 1.00 0.00 WT3 O ATOM 42266 H1 TIP3 5020 14.205 -8.236 -20.186 1.00 0.00 WT3 H ATOM 42267 H2 TIP3 5020 7.078 -3.902 -14.890 1.00 0.00 WT3 H ATOM 42268 OH2 TIP3 5021 2.421 -7.563 -2.066 1.00 0.00 WT3 O ATOM 42269 H1 TIP3 5021 -17.587 -28.219 -21.172 1.00 0.00 WT3 H ATOM 42270 H2 TIP3 5021 -28.248 7.098 -21.949 1.00 0.00 WT3 H ATOM 42271 OH2 TIP3 5022 -3.184 2.538 5.613 1.00 0.00 WT3 O ATOM 42272 H1 TIP3 5022 -1.439 -10.546 -11.404 1.00 0.00 WT3 H ATOM 42273 H2 TIP3 5022 -24.897 13.029 28.179 1.00 0.00 WT3 H ATOM 42274 OH2 TIP3 5023 -6.687 2.473 -4.294 1.00 0.00 WT3 O ATOM 42275 H1 TIP3 5023 -19.993 -15.740 -1.001 1.00 0.00 WT3 H ATOM 42276 H2 TIP3 5023 13.806 13.793 3.726 1.00 0.00 WT3 H ATOM 42277 OH2 TIP3 5024 1.597 6.191 1.186 1.00 0.00 WT3 O ATOM 42278 H1 TIP3 5024 7.311 1.897 12.890 1.00 0.00 WT3 H ATOM 42279 H2 TIP3 5024 -6.448 -4.988 12.771 1.00 0.00 WT3 H ATOM 42280 OH2 TIP3 5025 5.513 0.794 1.656 1.00 0.00 WT3 O ATOM 42281 H1 TIP3 5025 7.241 -20.522 -4.263 1.00 0.00 WT3 H ATOM 42282 H2 TIP3 5025 -6.595 4.608 -8.881 1.00 0.00 WT3 H ATOM 42283 OH2 TIP3 5027 2.742 5.827 5.837 1.00 0.00 WT3 O ATOM 42284 H1 TIP3 5027 1.174 -22.802 7.184 1.00 0.00 WT3 H ATOM 42285 H2 TIP3 5027 -1.394 -13.178 14.879 1.00 0.00 WT3 H ATOM 42286 OH2 TIP3 5031 1.755 2.227 1.703 1.00 0.00 WT3 O ATOM 42287 H1 TIP3 5031 0.396 4.798 -1.241 1.00 0.00 WT3 H ATOM 42288 H2 TIP3 5031 4.520 -13.029 2.293 1.00 0.00 WT3 H ATOM 42289 OH2 TIP3 5033 4.582 1.020 -3.222 1.00 0.00 WT3 O ATOM 42290 H1 TIP3 5033 -12.458 9.514 5.932 1.00 0.00 WT3 H ATOM 42291 H2 TIP3 5033 11.621 13.013 -9.922 1.00 0.00 WT3 H ATOM 42292 OH2 TIP3 5034 -0.558 -1.851 -0.660 1.00 0.00 WT3 O ATOM 42293 H1 TIP3 5034 10.182 1.408 -23.609 1.00 0.00 WT3 H ATOM 42294 H2 TIP3 5034 13.440 -16.915 10.737 1.00 0.00 WT3 H ATOM 42295 OH2 TIP3 5039 3.076 -7.736 2.857 1.00 0.00 WT3 O ATOM 42296 H1 TIP3 5039 -3.288 -4.358 5.537 1.00 0.00 WT3 H ATOM 42297 H2 TIP3 5039 8.127 -2.538 -1.468 1.00 0.00 WT3 H ATOM 42298 OH2 TIP3 5041 2.885 1.795 0.931 1.00 0.00 WT3 O ATOM 42299 H1 TIP3 5041 3.293 -1.249 -2.571 1.00 0.00 WT3 H ATOM 42300 H2 TIP3 5041 8.345 15.289 1.586 1.00 0.00 WT3 H ATOM 42301 OH2 TIP3 5043 12.810 0.932 -1.008 1.00 0.00 WT3 O ATOM 42302 H1 TIP3 5043 3.861 2.126 -3.190 1.00 0.00 WT3 H ATOM 42303 H2 TIP3 5043 -3.613 11.970 -5.373 1.00 0.00 WT3 H ATOM 42304 OH2 TIP3 5044 -3.986 -1.512 -2.908 1.00 0.00 WT3 O ATOM 42305 H1 TIP3 5044 -2.114 -12.958 -0.200 1.00 0.00 WT3 H ATOM 42306 H2 TIP3 5044 -2.464 25.240 4.458 1.00 0.00 WT3 H ATOM 42307 OH2 TIP3 5046 -2.475 1.641 3.247 1.00 0.00 WT3 O ATOM 42308 H1 TIP3 5046 -40.240 6.280 7.998 1.00 0.00 WT3 H ATOM 42309 H2 TIP3 5046 -26.347 9.570 7.195 1.00 0.00 WT3 H ATOM 42310 OH2 TIP3 5047 3.902 -1.718 2.897 1.00 0.00 WT3 O ATOM 42311 H1 TIP3 5047 0.752 7.984 9.051 1.00 0.00 WT3 H ATOM 42312 H2 TIP3 5047 13.105 -1.243 1.792 1.00 0.00 WT3 H ATOM 42313 OH2 TIP3 5048 -1.707 3.049 1.319 1.00 0.00 WT3 O ATOM 42314 H1 TIP3 5048 6.179 1.362 -8.763 1.00 0.00 WT3 H ATOM 42315 H2 TIP3 5048 7.502 -2.718 2.322 1.00 0.00 WT3 H ATOM 42316 OH2 TIP3 5049 -4.523 3.634 2.558 1.00 0.00 WT3 O ATOM 42317 H1 TIP3 5049 -15.275 14.030 7.570 1.00 0.00 WT3 H ATOM 42318 H2 TIP3 5049 -7.240 1.906 2.123 1.00 0.00 WT3 H ATOM 42319 OH2 TIP3 5051 2.436 -0.237 -1.390 1.00 0.00 WT3 O ATOM 42320 H1 TIP3 5051 10.427 -1.759 -4.072 1.00 0.00 WT3 H ATOM 42321 H2 TIP3 5051 -12.058 2.966 4.348 1.00 0.00 WT3 H ATOM 42322 OH2 TIP3 5052 -1.716 -1.210 1.686 1.00 0.00 WT3 O ATOM 42323 H1 TIP3 5052 -2.728 -2.599 3.244 1.00 0.00 WT3 H ATOM 42324 H2 TIP3 5052 -2.230 -0.755 2.387 1.00 0.00 WT3 H ATOM 42325 OH2 TIP3 5056 -2.593 0.037 -1.199 1.00 0.00 WT3 O ATOM 42326 H1 TIP3 5056 -17.746 -23.847 14.035 1.00 0.00 WT3 H ATOM 42327 H2 TIP3 5056 7.068 -4.269 -13.629 1.00 0.00 WT3 H ATOM 42328 OH2 TIP3 5058 -7.468 0.180 -2.300 1.00 0.00 WT3 O ATOM 42329 H1 TIP3 5058 -8.477 9.123 -5.846 1.00 0.00 WT3 H ATOM 42330 H2 TIP3 5058 -1.891 2.741 11.075 1.00 0.00 WT3 H ATOM 42331 OH2 TIP3 5059 5.789 -0.526 2.430 1.00 0.00 WT3 O ATOM 42332 H1 TIP3 5059 2.917 18.965 10.551 1.00 0.00 WT3 H ATOM 42333 H2 TIP3 5059 -8.286 2.841 -4.075 1.00 0.00 WT3 H ATOM 42334 OH2 TIP3 5060 0.972 -5.211 1.299 1.00 0.00 WT3 O ATOM 42335 H1 TIP3 5060 -0.480 -12.147 7.740 1.00 0.00 WT3 H ATOM 42336 H2 TIP3 5060 7.509 -13.824 -5.691 1.00 0.00 WT3 H ATOM 42337 OH2 TIP3 5061 2.114 -6.995 0.042 1.00 0.00 WT3 O ATOM 42338 H1 TIP3 5061 10.343 -2.675 23.093 1.00 0.00 WT3 H ATOM 42339 H2 TIP3 5061 -21.574 -6.319 2.511 1.00 0.00 WT3 H ATOM 42340 OH2 TIP3 5063 1.508 -3.718 -1.620 1.00 0.00 WT3 O ATOM 42341 H1 TIP3 5063 -0.485 18.402 9.165 1.00 0.00 WT3 H ATOM 42342 H2 TIP3 5063 1.171 19.953 6.796 1.00 0.00 WT3 H ATOM 42343 OH2 TIP3 5066 3.322 -3.411 2.343 1.00 0.00 WT3 O ATOM 42344 H1 TIP3 5066 7.016 2.238 13.145 1.00 0.00 WT3 H ATOM 42345 H2 TIP3 5066 6.488 3.886 14.637 1.00 0.00 WT3 H ATOM 42346 OH2 TIP3 5074 2.576 -2.874 3.638 1.00 0.00 WT3 O ATOM 42347 H1 TIP3 5074 -2.234 8.904 -2.556 1.00 0.00 WT3 H ATOM 42348 H2 TIP3 5074 3.920 -2.898 3.803 1.00 0.00 WT3 H ATOM 42349 OH2 TIP3 5076 -1.460 4.331 1.465 1.00 0.00 WT3 O ATOM 42350 H1 TIP3 5076 -9.715 -8.106 -0.634 1.00 0.00 WT3 H ATOM 42351 H2 TIP3 5076 -25.045 13.738 -2.690 1.00 0.00 WT3 H ATOM 42352 OH2 TIP3 5077 -5.164 1.367 1.403 1.00 0.00 WT3 O ATOM 42353 H1 TIP3 5077 -6.456 -16.219 -13.868 1.00 0.00 WT3 H ATOM 42354 H2 TIP3 5077 -9.443 15.481 3.849 1.00 0.00 WT3 H ATOM 42355 OH2 TIP3 5080 3.192 5.071 -4.188 1.00 0.00 WT3 O ATOM 42356 H1 TIP3 5080 5.466 14.531 -5.366 1.00 0.00 WT3 H ATOM 42357 H2 TIP3 5080 9.107 -0.409 -4.888 1.00 0.00 WT3 H ATOM 42358 OH2 TIP3 5084 -2.240 2.552 -1.239 1.00 0.00 WT3 O ATOM 42359 H1 TIP3 5084 8.679 -27.950 -9.635 1.00 0.00 WT3 H ATOM 42360 H2 TIP3 5084 9.385 -1.516 9.881 1.00 0.00 WT3 H ATOM 42361 OH2 TIP3 5085 -8.259 4.292 2.736 1.00 0.00 WT3 O ATOM 42362 H1 TIP3 5085 -7.747 15.247 -5.760 1.00 0.00 WT3 H ATOM 42363 H2 TIP3 5085 12.173 14.817 16.444 1.00 0.00 WT3 H ATOM 42364 OH2 TIP3 5088 1.501 -1.184 5.358 1.00 0.00 WT3 O ATOM 42365 H1 TIP3 5088 7.996 9.559 4.558 1.00 0.00 WT3 H ATOM 42366 H2 TIP3 5088 1.951 5.205 4.457 1.00 0.00 WT3 H ATOM 42367 OH2 TIP3 5092 0.278 0.673 -0.575 1.00 0.00 WT3 O ATOM 42368 H1 TIP3 5092 -16.072 -24.990 -13.566 1.00 0.00 WT3 H ATOM 42369 H2 TIP3 5092 6.356 5.055 -3.990 1.00 0.00 WT3 H ATOM 42370 OH2 TIP3 5094 6.806 3.599 4.053 1.00 0.00 WT3 O ATOM 42371 H1 TIP3 5094 -13.960 -5.288 -6.754 1.00 0.00 WT3 H ATOM 42372 H2 TIP3 5094 -3.179 -25.046 -12.768 1.00 0.00 WT3 H ATOM 42373 OH2 TIP3 5098 4.962 3.126 -3.389 1.00 0.00 WT3 O ATOM 42374 H1 TIP3 5098 -6.821 -8.406 1.360 1.00 0.00 WT3 H ATOM 42375 H2 TIP3 5098 -14.310 -1.941 -5.216 1.00 0.00 WT3 H ATOM 42376 OH2 TIP3 5105 3.698 -1.159 -1.030 1.00 0.00 WT3 O ATOM 42377 H1 TIP3 5105 9.314 8.715 -3.912 1.00 0.00 WT3 H ATOM 42378 H2 TIP3 5105 -5.924 -8.834 -5.075 1.00 0.00 WT3 H ATOM 42379 OH2 TIP3 5114 -3.414 -3.172 -0.222 1.00 0.00 WT3 O ATOM 42380 H1 TIP3 5114 -8.700 9.902 13.990 1.00 0.00 WT3 H ATOM 42381 H2 TIP3 5114 23.791 -13.134 4.574 1.00 0.00 WT3 H ATOM 42382 OH2 TIP3 5115 -1.417 -1.424 -1.463 1.00 0.00 WT3 O ATOM 42383 H1 TIP3 5115 3.320 0.841 3.417 1.00 0.00 WT3 H ATOM 42384 H2 TIP3 5115 -2.816 -6.057 -8.375 1.00 0.00 WT3 H ATOM 42385 OH2 TIP3 5116 -0.043 -0.018 -6.870 1.00 0.00 WT3 O ATOM 42386 H1 TIP3 5116 -10.098 26.753 29.614 1.00 0.00 WT3 H ATOM 42387 H2 TIP3 5116 -4.516 -11.594 -10.696 1.00 0.00 WT3 H ATOM 42388 OH2 TIP3 5118 4.909 -0.684 -0.242 1.00 0.00 WT3 O ATOM 42389 H1 TIP3 5118 -2.776 -16.453 -5.381 1.00 0.00 WT3 H ATOM 42390 H2 TIP3 5118 0.909 1.173 16.554 1.00 0.00 WT3 H ATOM 42391 OH2 TIP3 5124 6.206 7.013 15.021 1.00 0.00 WT3 O ATOM 42392 H1 TIP3 5124 12.417 -10.241 10.135 1.00 0.00 WT3 H ATOM 42393 H2 TIP3 5124 -9.811 9.022 6.450 1.00 0.00 WT3 H ATOM 42394 OH2 TIP3 5133 3.986 3.312 1.034 1.00 0.00 WT3 O ATOM 42395 H1 TIP3 5133 18.667 13.097 -10.183 1.00 0.00 WT3 H ATOM 42396 H2 TIP3 5133 -10.173 2.095 16.104 1.00 0.00 WT3 H ATOM 42397 OH2 TIP3 5134 8.714 -4.047 -0.263 1.00 0.00 WT3 O ATOM 42398 H1 TIP3 5134 3.999 1.682 16.778 1.00 0.00 WT3 H ATOM 42399 H2 TIP3 5134 23.956 -15.195 2.129 1.00 0.00 WT3 H ATOM 42400 OH2 TIP3 5164 -2.300 -0.431 -0.458 1.00 0.00 WT3 O ATOM 42401 H1 TIP3 5164 -15.136 -11.909 4.722 1.00 0.00 WT3 H ATOM 42402 H2 TIP3 5164 1.302 -5.207 1.670 1.00 0.00 WT3 H ATOM 42403 OH2 TIP3 5166 -0.565 4.784 -0.115 1.00 0.00 WT3 O ATOM 42404 H1 TIP3 5166 -14.234 16.403 -5.109 1.00 0.00 WT3 H ATOM 42405 H2 TIP3 5166 7.986 0.120 -17.299 1.00 0.00 WT3 H ATOM 42406 OH2 TIP3 5193 -6.233 0.935 -0.192 1.00 0.00 WT3 O ATOM 42407 H1 TIP3 5193 -7.649 -10.362 9.182 1.00 0.00 WT3 H ATOM 42408 H2 TIP3 5193 -13.806 13.318 1.988 1.00 0.00 WT3 H ATOM 42409 OH2 TIP3 5195 -6.078 2.665 4.653 1.00 0.00 WT3 O ATOM 42410 H1 TIP3 5195 6.171 15.243 -23.872 1.00 0.00 WT3 H ATOM 42411 H2 TIP3 5195 9.713 1.416 17.156 1.00 0.00 WT3 H ATOM 42412 OH2 TIP3 5234 -2.927 0.962 -0.587 1.00 0.00 WT3 O ATOM 42413 H1 TIP3 5234 15.983 19.043 1.336 1.00 0.00 WT3 H ATOM 42414 H2 TIP3 5234 13.497 -2.371 1.913 1.00 0.00 WT3 H ATOM 42415 OH2 TIP3 5251 3.092 9.526 0.800 1.00 0.00 WT3 O ATOM 42416 H1 TIP3 5251 20.668 -28.038 3.084 1.00 0.00 WT3 H ATOM 42417 H2 TIP3 5251 3.286 8.638 -2.386 1.00 0.00 WT3 H ATOM 42418 OH2 TIP3 5252 5.165 7.657 -4.597 1.00 0.00 WT3 O ATOM 42419 H1 TIP3 5252 -1.286 31.525 -1.448 1.00 0.00 WT3 H ATOM 42420 H2 TIP3 5252 -0.264 -7.326 -2.481 1.00 0.00 WT3 H ATOM 42421 OH2 TIP3 5259 -0.309 3.685 2.014 1.00 0.00 WT3 O ATOM 42422 H1 TIP3 5259 0.625 5.038 -3.691 1.00 0.00 WT3 H ATOM 42423 H2 TIP3 5259 12.667 16.074 25.792 1.00 0.00 WT3 H ATOM 42424 OH2 TIP3 5271 -2.612 0.025 6.330 1.00 0.00 WT3 O ATOM 42425 H1 TIP3 5271 -1.187 -3.170 4.451 1.00 0.00 WT3 H ATOM 42426 H2 TIP3 5271 -0.138 3.800 5.465 1.00 0.00 WT3 H ATOM 42427 OH2 TIP3 5272 -5.040 -6.336 4.131 1.00 0.00 WT3 O ATOM 42428 H1 TIP3 5272 11.127 12.233 0.907 1.00 0.00 WT3 H ATOM 42429 H2 TIP3 5272 -9.724 -2.733 -8.799 1.00 0.00 WT3 H ATOM 42430 OH2 TIP3 5284 1.494 1.678 -2.119 1.00 0.00 WT3 O ATOM 42431 H1 TIP3 5284 -6.121 8.023 -3.022 1.00 0.00 WT3 H ATOM 42432 H2 TIP3 5284 -2.837 -7.562 0.281 1.00 0.00 WT3 H ATOM 42433 OH2 TIP3 5286 3.645 0.440 -1.788 1.00 0.00 WT3 O ATOM 42434 H1 TIP3 5286 -2.785 0.650 18.599 1.00 0.00 WT3 H ATOM 42435 H2 TIP3 5286 3.951 3.067 10.833 1.00 0.00 WT3 H ATOM 42436 OH2 TIP3 5296 -3.309 0.100 -3.220 1.00 0.00 WT3 O ATOM 42437 H1 TIP3 5296 10.963 13.619 2.954 1.00 0.00 WT3 H ATOM 42438 H2 TIP3 5296 -4.444 -0.414 1.167 1.00 0.00 WT3 H ATOM 42439 OH2 TIP3 5302 0.025 -0.239 -7.865 1.00 0.00 WT3 O ATOM 42440 H1 TIP3 5302 -0.285 -4.766 -6.624 1.00 0.00 WT3 H ATOM 42441 H2 TIP3 5302 1.792 9.294 -13.227 1.00 0.00 WT3 H ATOM 42442 OH2 TIP3 5304 -1.513 -5.553 -0.297 1.00 0.00 WT3 O ATOM 42443 H1 TIP3 5304 -5.630 18.744 -0.283 1.00 0.00 WT3 H ATOM 42444 H2 TIP3 5304 -3.801 13.572 3.761 1.00 0.00 WT3 H ATOM 42445 OH2 TIP3 5306 4.306 4.105 -3.081 1.00 0.00 WT3 O ATOM 42446 H1 TIP3 5306 8.814 -0.239 16.078 1.00 0.00 WT3 H ATOM 42447 H2 TIP3 5306 0.162 -12.917 1.147 1.00 0.00 WT3 H ATOM 42448 OH2 TIP3 5309 0.641 1.111 0.116 1.00 0.00 WT3 O ATOM 42449 H1 TIP3 5309 -4.073 -8.159 4.646 1.00 0.00 WT3 H ATOM 42450 H2 TIP3 5309 -0.677 -3.602 3.828 1.00 0.00 WT3 H ATOM 42451 OH2 TIP3 5314 -1.574 -2.990 0.593 1.00 0.00 WT3 O ATOM 42452 H1 TIP3 5314 18.069 4.453 4.933 1.00 0.00 WT3 H ATOM 42453 H2 TIP3 5314 -11.243 4.379 -5.130 1.00 0.00 WT3 H ATOM 42454 OH2 TIP3 5317 -7.565 4.299 -1.471 1.00 0.00 WT3 O ATOM 42455 H1 TIP3 5317 -18.869 13.749 -8.060 1.00 0.00 WT3 H ATOM 42456 H2 TIP3 5317 -6.384 3.047 -0.891 1.00 0.00 WT3 H ATOM 42457 OH2 TIP3 5318 2.523 0.289 0.512 1.00 0.00 WT3 O ATOM 42458 H1 TIP3 5318 7.239 -3.672 2.365 1.00 0.00 WT3 H ATOM 42459 H2 TIP3 5318 -8.706 18.428 2.039 1.00 0.00 WT3 H ATOM 42460 OH2 TIP3 5319 -4.355 4.429 -2.065 1.00 0.00 WT3 O ATOM 42461 H1 TIP3 5319 -3.129 -2.262 -4.167 1.00 0.00 WT3 H ATOM 42462 H2 TIP3 5319 -7.819 6.448 8.690 1.00 0.00 WT3 H ATOM 42463 OH2 TIP3 5320 -3.619 -6.392 -2.013 1.00 0.00 WT3 O ATOM 42464 H1 TIP3 5320 -2.916 -21.159 8.478 1.00 0.00 WT3 H ATOM 42465 H2 TIP3 5320 -3.447 -14.258 1.623 1.00 0.00 WT3 H ATOM 42466 OH2 TIP3 5323 -4.118 2.828 -1.797 1.00 0.00 WT3 O ATOM 42467 H1 TIP3 5323 -14.703 -0.776 -0.483 1.00 0.00 WT3 H ATOM 42468 H2 TIP3 5323 7.322 -4.712 13.037 1.00 0.00 WT3 H ATOM 42469 OH2 TIP3 5328 1.629 6.020 -5.777 1.00 0.00 WT3 O ATOM 42470 H1 TIP3 5328 3.827 8.185 -5.682 1.00 0.00 WT3 H ATOM 42471 H2 TIP3 5328 -3.649 2.293 -6.475 1.00 0.00 WT3 H ATOM 42472 OH2 TIP3 5331 -3.783 4.539 3.536 1.00 0.00 WT3 O ATOM 42473 H1 TIP3 5331 3.702 -4.817 -3.904 1.00 0.00 WT3 H ATOM 42474 H2 TIP3 5331 -0.507 -12.439 -12.250 1.00 0.00 WT3 H ATOM 42475 OH2 TIP3 5332 -1.558 2.796 -0.386 1.00 0.00 WT3 O ATOM 42476 H1 TIP3 5332 -16.406 -5.387 -5.129 1.00 0.00 WT3 H ATOM 42477 H2 TIP3 5332 -8.724 -2.220 -4.020 1.00 0.00 WT3 H ATOM 42478 OH2 TIP3 5334 -1.267 -0.357 -1.255 1.00 0.00 WT3 O ATOM 42479 H1 TIP3 5334 4.313 -10.149 -11.002 1.00 0.00 WT3 H ATOM 42480 H2 TIP3 5334 2.447 4.996 -3.967 1.00 0.00 WT3 H ATOM 42481 OH2 TIP3 5338 2.997 -9.200 -6.961 1.00 0.00 WT3 O ATOM 42482 H1 TIP3 5338 5.079 12.307 8.334 1.00 0.00 WT3 H ATOM 42483 H2 TIP3 5338 7.758 -29.427 -33.766 1.00 0.00 WT3 H ATOM 42484 OH2 TIP3 5341 6.267 -2.508 -1.948 1.00 0.00 WT3 O ATOM 42485 H1 TIP3 5341 7.466 -5.711 -1.628 1.00 0.00 WT3 H ATOM 42486 H2 TIP3 5341 -3.815 2.354 -2.035 1.00 0.00 WT3 H ATOM 42487 OH2 TIP3 5350 -3.097 -7.301 -2.541 1.00 0.00 WT3 O ATOM 42488 H1 TIP3 5350 -5.046 9.786 -1.741 1.00 0.00 WT3 H ATOM 42489 H2 TIP3 5350 5.479 -13.556 -1.595 1.00 0.00 WT3 H ATOM 42490 OH2 TIP3 5351 1.045 -3.420 0.038 1.00 0.00 WT3 O ATOM 42491 H1 TIP3 5351 6.085 -17.104 23.259 1.00 0.00 WT3 H ATOM 42492 H2 TIP3 5351 15.536 7.577 6.663 1.00 0.00 WT3 H ATOM 42493 OH2 TIP3 5354 2.926 3.682 5.554 1.00 0.00 WT3 O ATOM 42494 H1 TIP3 5354 21.073 3.739 13.967 1.00 0.00 WT3 H ATOM 42495 H2 TIP3 5354 0.057 -13.835 6.142 1.00 0.00 WT3 H ATOM 42496 OH2 TIP3 5355 -2.290 1.332 1.113 1.00 0.00 WT3 O ATOM 42497 H1 TIP3 5355 -14.246 13.845 31.393 1.00 0.00 WT3 H ATOM 42498 H2 TIP3 5355 -2.367 -6.084 13.645 1.00 0.00 WT3 H ATOM 42499 OH2 TIP3 5356 2.082 -0.611 2.978 1.00 0.00 WT3 O ATOM 42500 H1 TIP3 5356 -24.135 -15.188 5.516 1.00 0.00 WT3 H ATOM 42501 H2 TIP3 5356 1.423 13.521 -13.957 1.00 0.00 WT3 H ATOM 42502 OH2 TIP3 5357 1.545 5.714 2.107 1.00 0.00 WT3 O ATOM 42503 H1 TIP3 5357 -4.917 7.541 -1.535 1.00 0.00 WT3 H ATOM 42504 H2 TIP3 5357 -3.260 12.862 14.103 1.00 0.00 WT3 H ATOM 42505 OH2 TIP3 5358 -1.318 -3.896 1.783 1.00 0.00 WT3 O ATOM 42506 H1 TIP3 5358 -8.510 -0.541 -2.570 1.00 0.00 WT3 H ATOM 42507 H2 TIP3 5358 0.221 1.853 7.181 1.00 0.00 WT3 H ATOM 42508 OH2 TIP3 5359 2.119 0.851 -1.683 1.00 0.00 WT3 O ATOM 42509 H1 TIP3 5359 -1.816 1.523 3.107 1.00 0.00 WT3 H ATOM 42510 H2 TIP3 5359 -9.564 2.081 2.633 1.00 0.00 WT3 H ATOM 42511 OH2 TIP3 5360 -5.217 0.874 -4.308 1.00 0.00 WT3 O ATOM 42512 H1 TIP3 5360 0.406 -18.575 -3.618 1.00 0.00 WT3 H ATOM 42513 H2 TIP3 5360 16.350 2.706 -9.962 1.00 0.00 WT3 H ATOM 42514 OH2 TIP3 5363 0.625 2.118 4.164 1.00 0.00 WT3 O ATOM 42515 H1 TIP3 5363 17.360 11.100 0.869 1.00 0.00 WT3 H ATOM 42516 H2 TIP3 5363 -5.260 -23.672 -25.230 1.00 0.00 WT3 H ATOM 42517 OH2 TIP3 5364 0.750 6.200 1.800 1.00 0.00 WT3 O ATOM 42518 H1 TIP3 5364 -5.315 -42.173 2.906 1.00 0.00 WT3 H ATOM 42519 H2 TIP3 5364 0.487 6.546 -26.186 1.00 0.00 WT3 H ATOM 42520 OH2 TIP3 5369 3.027 -2.694 1.527 1.00 0.00 WT3 O ATOM 42521 H1 TIP3 5369 -5.400 9.689 -0.686 1.00 0.00 WT3 H ATOM 42522 H2 TIP3 5369 -7.658 -18.841 -9.260 1.00 0.00 WT3 H ATOM 42523 OH2 TIP3 5370 -2.787 -5.369 -0.297 1.00 0.00 WT3 O ATOM 42524 H1 TIP3 5370 10.625 9.198 4.577 1.00 0.00 WT3 H ATOM 42525 H2 TIP3 5370 19.705 -6.760 24.158 1.00 0.00 WT3 H ATOM 42526 OH2 TIP3 5371 0.128 8.449 0.737 1.00 0.00 WT3 O ATOM 42527 H1 TIP3 5371 -22.486 -8.746 1.348 1.00 0.00 WT3 H ATOM 42528 H2 TIP3 5371 -3.729 6.664 6.203 1.00 0.00 WT3 H ATOM 42529 OH2 TIP3 5372 -6.539 -0.839 -3.687 1.00 0.00 WT3 O ATOM 42530 H1 TIP3 5372 -5.577 -15.742 -7.851 1.00 0.00 WT3 H ATOM 42531 H2 TIP3 5372 -3.250 3.197 -18.094 1.00 0.00 WT3 H ATOM 42532 OH2 TIP3 5374 4.169 -2.911 -3.513 1.00 0.00 WT3 O ATOM 42533 H1 TIP3 5374 11.927 8.090 5.719 1.00 0.00 WT3 H ATOM 42534 H2 TIP3 5374 -17.020 -26.786 -13.094 1.00 0.00 WT3 H ATOM 42535 OH2 TIP3 5375 -2.211 5.373 -3.734 1.00 0.00 WT3 O ATOM 42536 H1 TIP3 5375 -13.589 2.999 1.042 1.00 0.00 WT3 H ATOM 42537 H2 TIP3 5375 -2.751 -25.161 -1.555 1.00 0.00 WT3 H ATOM 42538 OH2 TIP3 5376 -8.073 2.024 1.339 1.00 0.00 WT3 O ATOM 42539 H1 TIP3 5376 15.813 -3.170 -16.750 1.00 0.00 WT3 H ATOM 42540 H2 TIP3 5376 -7.276 -4.347 2.047 1.00 0.00 WT3 H ATOM 42541 OH2 TIP3 5377 6.885 5.064 4.438 1.00 0.00 WT3 O ATOM 42542 H1 TIP3 5377 -3.669 17.244 -0.247 1.00 0.00 WT3 H ATOM 42543 H2 TIP3 5377 9.257 2.144 6.162 1.00 0.00 WT3 H ATOM 42544 OH2 TIP3 5378 0.518 -4.743 2.031 1.00 0.00 WT3 O ATOM 42545 H1 TIP3 5378 6.746 -2.675 2.713 1.00 0.00 WT3 H ATOM 42546 H2 TIP3 5378 1.474 8.180 0.965 1.00 0.00 WT3 H ATOM 42547 OH2 TIP3 5379 -3.399 -3.308 -3.148 1.00 0.00 WT3 O ATOM 42548 H1 TIP3 5379 -1.323 -15.280 -10.980 1.00 0.00 WT3 H ATOM 42549 H2 TIP3 5379 -10.318 20.579 2.478 1.00 0.00 WT3 H ATOM 42550 OH2 TIP3 5380 -3.020 0.304 5.756 1.00 0.00 WT3 O ATOM 42551 H1 TIP3 5380 -8.546 -0.620 3.376 1.00 0.00 WT3 H ATOM 42552 H2 TIP3 5380 -9.211 -1.777 2.567 1.00 0.00 WT3 H ATOM 42553 OH2 TIP3 5381 -5.155 2.672 2.174 1.00 0.00 WT3 O ATOM 42554 H1 TIP3 5381 -6.965 6.851 0.925 1.00 0.00 WT3 H ATOM 42555 H2 TIP3 5381 -2.900 -0.120 13.293 1.00 0.00 WT3 H ATOM 42556 OH2 TIP3 5382 5.556 -4.677 -9.579 1.00 0.00 WT3 O ATOM 42557 H1 TIP3 5382 -0.450 -28.424 31.585 1.00 0.00 WT3 H ATOM 42558 H2 TIP3 5382 -8.269 -4.324 3.862 1.00 0.00 WT3 H ATOM 42559 OH2 TIP3 5383 2.872 -0.881 -0.665 1.00 0.00 WT3 O ATOM 42560 H1 TIP3 5383 1.447 18.280 -3.754 1.00 0.00 WT3 H ATOM 42561 H2 TIP3 5383 6.113 -21.974 -7.117 1.00 0.00 WT3 H ATOM 42562 OH2 TIP3 5384 5.085 2.173 -3.484 1.00 0.00 WT3 O ATOM 42563 H1 TIP3 5384 0.368 -9.173 -5.838 1.00 0.00 WT3 H ATOM 42564 H2 TIP3 5384 7.921 -4.813 43.423 1.00 0.00 WT3 H ATOM 42565 OH2 TIP3 5385 1.404 -3.061 -5.263 1.00 0.00 WT3 O ATOM 42566 H1 TIP3 5385 -29.565 -9.495 -10.223 1.00 0.00 WT3 H ATOM 42567 H2 TIP3 5385 -20.791 -3.022 -6.461 1.00 0.00 WT3 H ATOM 42568 OH2 TIP3 5388 -4.310 4.806 5.911 1.00 0.00 WT3 O ATOM 42569 H1 TIP3 5388 -7.006 -0.991 16.685 1.00 0.00 WT3 H ATOM 42570 H2 TIP3 5388 25.406 -8.418 -13.493 1.00 0.00 WT3 H ATOM 42571 OH2 TIP3 5389 -4.447 -1.737 -1.210 1.00 0.00 WT3 O ATOM 42572 H1 TIP3 5389 0.561 -11.219 1.323 1.00 0.00 WT3 H ATOM 42573 H2 TIP3 5389 -8.531 -3.758 -17.468 1.00 0.00 WT3 H ATOM 42574 OH2 TIP3 5390 -4.181 2.915 6.229 1.00 0.00 WT3 O ATOM 42575 H1 TIP3 5390 -4.155 8.589 1.692 1.00 0.00 WT3 H ATOM 42576 H2 TIP3 5390 0.051 5.173 7.875 1.00 0.00 WT3 H ATOM 42577 OH2 TIP3 5392 4.268 3.698 -10.133 1.00 0.00 WT3 O ATOM 42578 H1 TIP3 5392 0.405 9.035 -15.938 1.00 0.00 WT3 H ATOM 42579 H2 TIP3 5392 28.361 21.493 -23.955 1.00 0.00 WT3 H ATOM 42580 OH2 TIP3 5393 -1.672 1.601 -1.470 1.00 0.00 WT3 O ATOM 42581 H1 TIP3 5393 4.274 -0.948 -4.482 1.00 0.00 WT3 H ATOM 42582 H2 TIP3 5393 -14.297 11.959 0.523 1.00 0.00 WT3 H ATOM 42583 OH2 TIP3 5394 -1.667 -2.698 -1.416 1.00 0.00 WT3 O ATOM 42584 H1 TIP3 5394 -0.352 21.270 -9.257 1.00 0.00 WT3 H ATOM 42585 H2 TIP3 5394 15.027 -9.350 -3.074 1.00 0.00 WT3 H ATOM 42586 OH2 TIP3 5396 3.258 0.345 1.789 1.00 0.00 WT3 O ATOM 42587 H1 TIP3 5396 -4.614 -7.693 2.098 1.00 0.00 WT3 H ATOM 42588 H2 TIP3 5396 2.531 1.498 1.040 1.00 0.00 WT3 H ATOM 42589 OH2 TIP3 5397 -1.085 0.577 -5.259 1.00 0.00 WT3 O ATOM 42590 H1 TIP3 5397 14.887 1.576 15.550 1.00 0.00 WT3 H ATOM 42591 H2 TIP3 5397 -7.141 -4.425 -5.616 1.00 0.00 WT3 H ATOM 42592 OH2 TIP3 5398 -4.081 0.178 4.471 1.00 0.00 WT3 O ATOM 42593 H1 TIP3 5398 4.436 1.772 0.054 1.00 0.00 WT3 H ATOM 42594 H2 TIP3 5398 -9.511 -0.197 -1.552 1.00 0.00 WT3 H ATOM 42595 OH2 TIP3 5399 -5.654 -0.657 5.378 1.00 0.00 WT3 O ATOM 42596 H1 TIP3 5399 -4.991 4.327 8.092 1.00 0.00 WT3 H ATOM 42597 H2 TIP3 5399 -7.057 -16.028 0.162 1.00 0.00 WT3 H ATOM 42598 OH2 TIP3 5400 -7.426 -4.561 -5.999 1.00 0.00 WT3 O ATOM 42599 H1 TIP3 5400 -7.186 12.677 -11.685 1.00 0.00 WT3 H ATOM 42600 H2 TIP3 5400 -5.238 9.050 -5.660 1.00 0.00 WT3 H ATOM 42601 OH2 TIP3 5401 -8.479 2.263 8.621 1.00 0.00 WT3 O ATOM 42602 H1 TIP3 5401 -4.017 10.426 2.489 1.00 0.00 WT3 H ATOM 42603 H2 TIP3 5401 0.942 2.643 -22.040 1.00 0.00 WT3 H ATOM 42604 OH2 TIP3 5402 2.087 -0.350 -3.094 1.00 0.00 WT3 O ATOM 42605 H1 TIP3 5402 -3.007 -12.845 -10.563 1.00 0.00 WT3 H ATOM 42606 H2 TIP3 5402 3.215 8.078 -12.977 1.00 0.00 WT3 H ATOM 42607 OH2 TIP3 5404 0.900 0.934 -1.117 1.00 0.00 WT3 O ATOM 42608 H1 TIP3 5404 -3.431 7.519 0.073 1.00 0.00 WT3 H ATOM 42609 H2 TIP3 5404 -2.228 4.571 -1.415 1.00 0.00 WT3 H ATOM 42610 OH2 TIP3 5408 -4.365 -1.240 4.778 1.00 0.00 WT3 O ATOM 42611 H1 TIP3 5408 -2.743 6.043 14.136 1.00 0.00 WT3 H ATOM 42612 H2 TIP3 5408 -26.861 -16.321 3.077 1.00 0.00 WT3 H ATOM 42613 OH2 TIP3 5409 -5.415 6.981 1.171 1.00 0.00 WT3 O ATOM 42614 H1 TIP3 5409 5.359 -9.818 -1.950 1.00 0.00 WT3 H ATOM 42615 H2 TIP3 5409 1.697 10.822 9.987 1.00 0.00 WT3 H ATOM 42616 OH2 TIP3 5413 1.951 -1.277 1.486 1.00 0.00 WT3 O ATOM 42617 H1 TIP3 5413 -0.900 -2.193 4.617 1.00 0.00 WT3 H ATOM 42618 H2 TIP3 5413 -12.868 2.760 7.757 1.00 0.00 WT3 H ATOM 42619 OH2 TIP3 5414 -1.638 4.903 -1.525 1.00 0.00 WT3 O ATOM 42620 H1 TIP3 5414 -0.411 16.594 2.458 1.00 0.00 WT3 H ATOM 42621 H2 TIP3 5414 4.018 13.861 -1.797 1.00 0.00 WT3 H ATOM 42622 OH2 TIP3 5417 -3.172 4.846 -2.955 1.00 0.00 WT3 O ATOM 42623 H1 TIP3 5417 2.975 3.444 3.026 1.00 0.00 WT3 H ATOM 42624 H2 TIP3 5417 -1.717 -1.694 -19.485 1.00 0.00 WT3 H ATOM 42625 OH2 TIP3 5418 -4.710 0.324 -0.306 1.00 0.00 WT3 O ATOM 42626 H1 TIP3 5418 3.736 2.971 -9.605 1.00 0.00 WT3 H ATOM 42627 H2 TIP3 5418 -1.275 0.544 2.048 1.00 0.00 WT3 H ATOM 42628 OH2 TIP3 5419 5.101 0.802 3.232 1.00 0.00 WT3 O ATOM 42629 H1 TIP3 5419 -0.078 -9.272 19.396 1.00 0.00 WT3 H ATOM 42630 H2 TIP3 5419 0.148 -23.702 0.238 1.00 0.00 WT3 H ATOM 42631 OH2 TIP3 5420 4.462 5.015 -2.526 1.00 0.00 WT3 O ATOM 42632 H1 TIP3 5420 -4.573 7.483 1.003 1.00 0.00 WT3 H ATOM 42633 H2 TIP3 5420 9.324 10.178 -10.232 1.00 0.00 WT3 H ATOM 42634 OH2 TIP3 5421 6.240 5.025 3.856 1.00 0.00 WT3 O ATOM 42635 H1 TIP3 5421 3.747 25.051 17.063 1.00 0.00 WT3 H ATOM 42636 H2 TIP3 5421 13.181 0.378 2.771 1.00 0.00 WT3 H ATOM 42637 OH2 TIP3 5422 -0.633 -0.359 -2.699 1.00 0.00 WT3 O ATOM 42638 H1 TIP3 5422 6.455 11.423 -8.272 1.00 0.00 WT3 H ATOM 42639 H2 TIP3 5422 -9.324 -12.313 5.840 1.00 0.00 WT3 H ATOM 42640 OH2 TIP3 5423 4.507 -2.715 5.221 1.00 0.00 WT3 O ATOM 42641 H1 TIP3 5423 5.311 -13.400 -7.993 1.00 0.00 WT3 H ATOM 42642 H2 TIP3 5423 4.700 -4.797 -7.983 1.00 0.00 WT3 H ATOM 42643 OH2 TIP3 5424 -2.131 1.945 -7.399 1.00 0.00 WT3 O ATOM 42644 H1 TIP3 5424 -2.975 -3.467 0.780 1.00 0.00 WT3 H ATOM 42645 H2 TIP3 5424 -4.038 -2.940 2.940 1.00 0.00 WT3 H ATOM 42646 OH2 TIP3 5426 6.911 -5.179 2.609 1.00 0.00 WT3 O ATOM 42647 H1 TIP3 5426 21.211 -18.415 -8.809 1.00 0.00 WT3 H ATOM 42648 H2 TIP3 5426 -1.108 -22.139 19.582 1.00 0.00 WT3 H ATOM 42649 OH2 TIP3 5427 -0.015 0.028 0.533 1.00 0.00 WT3 O ATOM 42650 H1 TIP3 5427 12.733 9.545 -3.994 1.00 0.00 WT3 H ATOM 42651 H2 TIP3 5427 -2.508 18.516 8.453 1.00 0.00 WT3 H ATOM 42652 OH2 TIP3 5428 -1.937 1.731 -4.116 1.00 0.00 WT3 O ATOM 42653 H1 TIP3 5428 3.448 -10.067 6.756 1.00 0.00 WT3 H ATOM 42654 H2 TIP3 5428 8.264 12.756 -3.298 1.00 0.00 WT3 H ATOM 42655 OH2 TIP3 5429 -0.964 0.984 1.208 1.00 0.00 WT3 O ATOM 42656 H1 TIP3 5429 2.706 0.042 -7.982 1.00 0.00 WT3 H ATOM 42657 H2 TIP3 5429 1.774 -3.053 2.031 1.00 0.00 WT3 H ATOM 42658 OH2 TIP3 5430 3.858 -2.190 -6.481 1.00 0.00 WT3 O ATOM 42659 H1 TIP3 5430 6.149 -12.427 -0.427 1.00 0.00 WT3 H ATOM 42660 H2 TIP3 5430 11.421 -12.021 3.752 1.00 0.00 WT3 H ATOM 42661 OH2 TIP3 5432 1.161 1.976 0.971 1.00 0.00 WT3 O ATOM 42662 H1 TIP3 5432 11.352 9.216 -0.666 1.00 0.00 WT3 H ATOM 42663 H2 TIP3 5432 -23.642 -10.917 2.584 1.00 0.00 WT3 H ATOM 42664 OH2 TIP3 5434 -6.651 -4.141 -7.262 1.00 0.00 WT3 O ATOM 42665 H1 TIP3 5434 0.155 0.500 -15.323 1.00 0.00 WT3 H ATOM 42666 H2 TIP3 5434 -16.367 -0.401 -10.911 1.00 0.00 WT3 H ATOM 42667 OH2 TIP3 5436 -3.259 -2.355 3.964 1.00 0.00 WT3 O ATOM 42668 H1 TIP3 5436 7.945 0.205 -5.071 1.00 0.00 WT3 H ATOM 42669 H2 TIP3 5436 -4.576 7.280 15.903 1.00 0.00 WT3 H ATOM 42670 OH2 TIP3 5437 9.105 1.661 4.594 1.00 0.00 WT3 O ATOM 42671 H1 TIP3 5437 -0.156 15.470 3.378 1.00 0.00 WT3 H ATOM 42672 H2 TIP3 5437 -14.869 -12.698 -0.178 1.00 0.00 WT3 H ATOM 42673 OH2 TIP3 5438 -8.074 -0.763 -1.622 1.00 0.00 WT3 O ATOM 42674 H1 TIP3 5438 -7.380 3.552 19.045 1.00 0.00 WT3 H ATOM 42675 H2 TIP3 5438 -28.124 -9.393 -13.944 1.00 0.00 WT3 H ATOM 42676 OH2 TIP3 5440 -1.045 -1.068 2.997 1.00 0.00 WT3 O ATOM 42677 H1 TIP3 5440 -3.438 12.161 22.937 1.00 0.00 WT3 H ATOM 42678 H2 TIP3 5440 -2.884 -17.077 -0.875 1.00 0.00 WT3 H ATOM 42679 OH2 TIP3 5441 -0.262 -1.214 -3.142 1.00 0.00 WT3 O ATOM 42680 H1 TIP3 5441 -6.025 -12.255 -1.091 1.00 0.00 WT3 H ATOM 42681 H2 TIP3 5441 9.278 -9.455 4.888 1.00 0.00 WT3 H ATOM 42682 OH2 TIP3 5442 0.851 -2.828 2.614 1.00 0.00 WT3 O ATOM 42683 H1 TIP3 5442 -1.522 3.193 -7.019 1.00 0.00 WT3 H ATOM 42684 H2 TIP3 5442 -2.377 3.325 -15.553 1.00 0.00 WT3 H ATOM 42685 OH2 TIP3 5443 2.051 0.059 -3.285 1.00 0.00 WT3 O ATOM 42686 H1 TIP3 5443 9.697 7.796 -17.624 1.00 0.00 WT3 H ATOM 42687 H2 TIP3 5443 16.499 -10.837 1.149 1.00 0.00 WT3 H ATOM 42688 OH2 TIP3 5444 -8.685 5.431 7.667 1.00 0.00 WT3 O ATOM 42689 H1 TIP3 5444 0.622 -5.168 -15.372 1.00 0.00 WT3 H ATOM 42690 H2 TIP3 5444 -5.341 3.015 -2.042 1.00 0.00 WT3 H ATOM 42691 OH2 TIP3 5446 -4.038 0.171 -5.873 1.00 0.00 WT3 O ATOM 42692 H1 TIP3 5446 -4.067 -9.137 -4.455 1.00 0.00 WT3 H ATOM 42693 H2 TIP3 5446 4.771 1.130 -9.553 1.00 0.00 WT3 H ATOM 42694 OH2 TIP3 5447 -2.984 -5.359 -0.437 1.00 0.00 WT3 O ATOM 42695 H1 TIP3 5447 6.143 -6.817 -2.933 1.00 0.00 WT3 H ATOM 42696 H2 TIP3 5447 -5.000 -5.819 5.550 1.00 0.00 WT3 H ATOM 42697 OH2 TIP3 5448 -1.023 4.259 6.027 1.00 0.00 WT3 O ATOM 42698 H1 TIP3 5448 -8.697 -9.077 20.502 1.00 0.00 WT3 H ATOM 42699 H2 TIP3 5448 -15.092 -5.636 -5.991 1.00 0.00 WT3 H ATOM 42700 OH2 TIP3 5449 2.494 5.807 -8.480 1.00 0.00 WT3 O ATOM 42701 H1 TIP3 5449 -9.416 0.619 -5.183 1.00 0.00 WT3 H ATOM 42702 H2 TIP3 5449 17.929 1.298 -11.145 1.00 0.00 WT3 H ATOM 42703 OH2 TIP3 5450 -0.335 1.881 9.100 1.00 0.00 WT3 O ATOM 42704 H1 TIP3 5450 -0.061 -5.865 8.555 1.00 0.00 WT3 H ATOM 42705 H2 TIP3 5450 6.503 -0.008 1.597 1.00 0.00 WT3 H ATOM 42706 OH2 TIP3 5451 4.844 -2.395 -5.211 1.00 0.00 WT3 O ATOM 42707 H1 TIP3 5451 11.955 -5.784 -3.145 1.00 0.00 WT3 H ATOM 42708 H2 TIP3 5451 -2.537 24.059 -6.819 1.00 0.00 WT3 H ATOM 42709 OH2 TIP3 5452 0.427 -2.506 -7.164 1.00 0.00 WT3 O ATOM 42710 H1 TIP3 5452 1.391 -19.526 13.907 1.00 0.00 WT3 H ATOM 42711 H2 TIP3 5452 -0.270 -2.220 15.106 1.00 0.00 WT3 H ATOM 42712 OH2 TIP3 5453 3.129 3.585 -3.984 1.00 0.00 WT3 O ATOM 42713 H1 TIP3 5453 8.087 0.144 -19.625 1.00 0.00 WT3 H ATOM 42714 H2 TIP3 5453 5.784 4.715 -9.181 1.00 0.00 WT3 H ATOM 42715 OH2 TIP3 5455 0.271 -0.972 -1.708 1.00 0.00 WT3 O ATOM 42716 H1 TIP3 5455 -0.719 -2.943 4.430 1.00 0.00 WT3 H ATOM 42717 H2 TIP3 5455 6.621 -2.115 -10.053 1.00 0.00 WT3 H ATOM 42718 OH2 TIP3 5456 -2.042 0.979 -4.391 1.00 0.00 WT3 O ATOM 42719 H1 TIP3 5456 -7.354 -2.955 -1.092 1.00 0.00 WT3 H ATOM 42720 H2 TIP3 5456 0.397 3.883 2.703 1.00 0.00 WT3 H ATOM 42721 OH2 TIP3 5457 -2.400 -0.968 3.758 1.00 0.00 WT3 O ATOM 42722 H1 TIP3 5457 -32.246 -3.700 -9.218 1.00 0.00 WT3 H ATOM 42723 H2 TIP3 5457 19.241 -6.633 10.641 1.00 0.00 WT3 H ATOM 42724 OH2 TIP3 5458 3.305 3.467 1.916 1.00 0.00 WT3 O ATOM 42725 H1 TIP3 5458 28.964 -9.602 8.708 1.00 0.00 WT3 H ATOM 42726 H2 TIP3 5458 -18.248 1.034 16.904 1.00 0.00 WT3 H ATOM 42727 OH2 TIP3 5459 -7.120 -0.318 -2.306 1.00 0.00 WT3 O ATOM 42728 H1 TIP3 5459 -8.861 -7.968 -2.952 1.00 0.00 WT3 H ATOM 42729 H2 TIP3 5459 1.512 14.156 -19.481 1.00 0.00 WT3 H ATOM 42730 OH2 TIP3 5460 4.337 2.382 -4.540 1.00 0.00 WT3 O ATOM 42731 H1 TIP3 5460 8.910 20.113 -14.706 1.00 0.00 WT3 H ATOM 42732 H2 TIP3 5460 -15.400 7.844 3.682 1.00 0.00 WT3 H ATOM 42733 OH2 TIP3 5461 3.686 8.143 2.813 1.00 0.00 WT3 O ATOM 42734 H1 TIP3 5461 -1.749 3.125 17.061 1.00 0.00 WT3 H ATOM 42735 H2 TIP3 5461 -7.503 -6.048 -8.931 1.00 0.00 WT3 H ATOM 42736 OH2 TIP3 5462 -4.805 0.729 -7.515 1.00 0.00 WT3 O ATOM 42737 H1 TIP3 5462 1.890 -5.112 -7.265 1.00 0.00 WT3 H ATOM 42738 H2 TIP3 5462 0.157 -7.038 3.190 1.00 0.00 WT3 H ATOM 42739 OH2 TIP3 5463 -3.005 8.674 -1.778 1.00 0.00 WT3 O ATOM 42740 H1 TIP3 5463 -2.626 -7.745 -13.563 1.00 0.00 WT3 H ATOM 42741 H2 TIP3 5463 10.719 10.056 3.667 1.00 0.00 WT3 H ATOM 42742 OH2 TIP3 5464 -3.616 0.573 -5.850 1.00 0.00 WT3 O ATOM 42743 H1 TIP3 5464 18.259 -6.628 -10.050 1.00 0.00 WT3 H ATOM 42744 H2 TIP3 5464 8.271 9.726 10.388 1.00 0.00 WT3 H ATOM 42745 OH2 TIP3 5465 -4.450 -5.163 -5.093 1.00 0.00 WT3 O ATOM 42746 H1 TIP3 5465 3.103 -0.178 -17.598 1.00 0.00 WT3 H ATOM 42747 H2 TIP3 5465 12.934 17.978 -14.584 1.00 0.00 WT3 H ATOM 42748 OH2 TIP3 5466 2.880 3.433 -3.860 1.00 0.00 WT3 O ATOM 42749 H1 TIP3 5466 1.947 0.455 -5.432 1.00 0.00 WT3 H ATOM 42750 H2 TIP3 5466 2.772 11.170 -2.355 1.00 0.00 WT3 H ATOM 42751 OH2 TIP3 5469 -4.644 -1.195 2.762 1.00 0.00 WT3 O ATOM 42752 H1 TIP3 5469 9.808 -6.152 15.430 1.00 0.00 WT3 H ATOM 42753 H2 TIP3 5469 6.020 -1.934 -2.501 1.00 0.00 WT3 H ATOM 42754 OH2 TIP3 5470 -8.093 -2.710 -5.002 1.00 0.00 WT3 O ATOM 42755 H1 TIP3 5470 7.952 -5.658 -4.107 1.00 0.00 WT3 H ATOM 42756 H2 TIP3 5470 -4.807 -4.012 19.946 1.00 0.00 WT3 H ATOM 42757 OH2 TIP3 5471 -2.201 -0.055 -9.716 1.00 0.00 WT3 O ATOM 42758 H1 TIP3 5471 -0.316 -2.312 -8.913 1.00 0.00 WT3 H ATOM 42759 H2 TIP3 5471 4.090 -8.059 -5.730 1.00 0.00 WT3 H ATOM 42760 OH2 TIP3 5472 -2.234 -2.301 2.427 1.00 0.00 WT3 O ATOM 42761 H1 TIP3 5472 17.415 14.755 3.024 1.00 0.00 WT3 H ATOM 42762 H2 TIP3 5472 -3.117 -4.650 -7.620 1.00 0.00 WT3 H ATOM 42763 OH2 TIP3 5473 -1.685 1.314 5.166 1.00 0.00 WT3 O ATOM 42764 H1 TIP3 5473 14.094 3.145 -7.063 1.00 0.00 WT3 H ATOM 42765 H2 TIP3 5473 -22.602 -19.365 -13.435 1.00 0.00 WT3 H ATOM 42766 OH2 TIP3 5474 -0.157 -1.812 0.644 1.00 0.00 WT3 O ATOM 42767 H1 TIP3 5474 8.838 -8.065 7.236 1.00 0.00 WT3 H ATOM 42768 H2 TIP3 5474 1.641 7.558 22.769 1.00 0.00 WT3 H ATOM 42769 OH2 TIP3 5476 -1.576 -2.173 -7.622 1.00 0.00 WT3 O ATOM 42770 H1 TIP3 5476 15.495 -14.349 14.871 1.00 0.00 WT3 H ATOM 42771 H2 TIP3 5476 -4.665 24.520 9.756 1.00 0.00 WT3 H ATOM 42772 OH2 TIP3 5477 2.857 0.103 -4.131 1.00 0.00 WT3 O ATOM 42773 H1 TIP3 5477 -17.541 -25.964 0.450 1.00 0.00 WT3 H ATOM 42774 H2 TIP3 5477 -4.773 14.138 33.747 1.00 0.00 WT3 H ATOM 42775 OH2 TIP3 5478 6.508 -5.237 1.909 1.00 0.00 WT3 O ATOM 42776 H1 TIP3 5478 9.163 0.955 -18.963 1.00 0.00 WT3 H ATOM 42777 H2 TIP3 5478 30.909 3.048 3.134 1.00 0.00 WT3 H ATOM 42778 OH2 TIP3 5479 1.631 9.388 -3.019 1.00 0.00 WT3 O ATOM 42779 H1 TIP3 5479 -11.944 20.698 8.196 1.00 0.00 WT3 H ATOM 42780 H2 TIP3 5479 15.284 11.077 -4.866 1.00 0.00 WT3 H ATOM 42781 OH2 TIP3 5480 -1.685 -4.531 -2.594 1.00 0.00 WT3 O ATOM 42782 H1 TIP3 5480 13.131 8.918 8.004 1.00 0.00 WT3 H ATOM 42783 H2 TIP3 5480 4.942 -23.670 -8.121 1.00 0.00 WT3 H ATOM 42784 OH2 TIP3 5481 4.431 -0.675 6.459 1.00 0.00 WT3 O ATOM 42785 H1 TIP3 5481 -26.610 -19.949 8.679 1.00 0.00 WT3 H ATOM 42786 H2 TIP3 5481 26.412 18.614 -1.847 1.00 0.00 WT3 H ATOM 42787 OH2 TIP3 5482 -2.617 -0.585 -8.949 1.00 0.00 WT3 O ATOM 42788 H1 TIP3 5482 -5.100 -13.493 2.842 1.00 0.00 WT3 H ATOM 42789 H2 TIP3 5482 1.770 -11.017 24.239 1.00 0.00 WT3 H ATOM 42790 OH2 TIP3 5484 -0.805 3.869 -7.263 1.00 0.00 WT3 O ATOM 42791 H1 TIP3 5484 -7.439 6.559 -0.635 1.00 0.00 WT3 H ATOM 42792 H2 TIP3 5484 -5.595 -4.815 -6.699 1.00 0.00 WT3 H ATOM 42793 OH2 TIP3 5485 2.635 1.566 -0.251 1.00 0.00 WT3 O ATOM 42794 H1 TIP3 5485 11.854 1.876 10.656 1.00 0.00 WT3 H ATOM 42795 H2 TIP3 5485 3.228 2.462 -1.081 1.00 0.00 WT3 H ATOM 42796 OH2 TIP3 5487 -2.292 -2.615 -0.969 1.00 0.00 WT3 O ATOM 42797 H1 TIP3 5487 -4.799 -0.745 -8.322 1.00 0.00 WT3 H ATOM 42798 H2 TIP3 5487 -1.305 -5.746 4.386 1.00 0.00 WT3 H ATOM 42799 OH2 TIP3 5489 6.237 4.007 -7.184 1.00 0.00 WT3 O ATOM 42800 H1 TIP3 5489 9.579 14.016 1.548 1.00 0.00 WT3 H ATOM 42801 H2 TIP3 5489 19.577 19.008 -17.788 1.00 0.00 WT3 H ATOM 42802 OH2 TIP3 5490 -6.602 1.145 -1.301 1.00 0.00 WT3 O ATOM 42803 H1 TIP3 5490 25.767 -10.047 13.450 1.00 0.00 WT3 H ATOM 42804 H2 TIP3 5490 3.152 -10.163 -0.166 1.00 0.00 WT3 H ATOM 42805 OH2 TIP3 5491 -2.337 -4.848 -1.963 1.00 0.00 WT3 O ATOM 42806 H1 TIP3 5491 -0.582 -6.582 0.403 1.00 0.00 WT3 H ATOM 42807 H2 TIP3 5491 -3.136 -2.684 -2.499 1.00 0.00 WT3 H ATOM 42808 OH2 TIP3 5492 4.434 1.879 3.629 1.00 0.00 WT3 O ATOM 42809 H1 TIP3 5492 -5.716 12.897 1.086 1.00 0.00 WT3 H ATOM 42810 H2 TIP3 5492 -1.639 5.299 -24.737 1.00 0.00 WT3 H ATOM 42811 OH2 TIP3 5493 1.260 -1.238 -4.808 1.00 0.00 WT3 O ATOM 42812 H1 TIP3 5493 -28.414 -10.447 -1.026 1.00 0.00 WT3 H ATOM 42813 H2 TIP3 5493 -28.544 2.423 -14.698 1.00 0.00 WT3 H ATOM 42814 OH2 TIP3 5494 1.626 -4.489 4.863 1.00 0.00 WT3 O ATOM 42815 H1 TIP3 5494 1.348 -1.147 -3.676 1.00 0.00 WT3 H ATOM 42816 H2 TIP3 5494 -9.927 -12.298 21.713 1.00 0.00 WT3 H ATOM 42817 OH2 TIP3 5496 -4.883 2.381 -0.373 1.00 0.00 WT3 O ATOM 42818 H1 TIP3 5496 3.896 -26.527 2.758 1.00 0.00 WT3 H ATOM 42819 H2 TIP3 5496 -1.957 -10.898 -0.630 1.00 0.00 WT3 H ATOM 42820 OH2 TIP3 5497 1.025 -2.406 -0.124 1.00 0.00 WT3 O ATOM 42821 H1 TIP3 5497 -10.322 9.215 -0.032 1.00 0.00 WT3 H ATOM 42822 H2 TIP3 5497 -7.843 -3.282 -1.032 1.00 0.00 WT3 H ATOM 42823 OH2 TIP3 5498 1.996 1.984 -0.857 1.00 0.00 WT3 O ATOM 42824 H1 TIP3 5498 -4.806 -2.432 -2.929 1.00 0.00 WT3 H ATOM 42825 H2 TIP3 5498 1.092 1.110 7.843 1.00 0.00 WT3 H ATOM 42826 OH2 TIP3 5503 -5.641 -2.987 3.925 1.00 0.00 WT3 O ATOM 42827 H1 TIP3 5503 -10.114 -11.154 11.170 1.00 0.00 WT3 H ATOM 42828 H2 TIP3 5503 -2.293 -24.388 17.552 1.00 0.00 WT3 H ATOM 42829 OH2 TIP3 5504 2.604 -0.328 3.688 1.00 0.00 WT3 O ATOM 42830 H1 TIP3 5504 12.847 14.133 -5.606 1.00 0.00 WT3 H ATOM 42831 H2 TIP3 5504 -10.771 0.067 -10.578 1.00 0.00 WT3 H ATOM 42832 OH2 TIP3 5505 -0.698 9.044 3.576 1.00 0.00 WT3 O ATOM 42833 H1 TIP3 5505 -12.088 0.674 -13.209 1.00 0.00 WT3 H ATOM 42834 H2 TIP3 5505 19.124 -2.835 8.907 1.00 0.00 WT3 H ATOM 42835 OH2 TIP3 5513 6.702 3.963 3.293 1.00 0.00 WT3 O ATOM 42836 H1 TIP3 5513 8.834 25.266 15.537 1.00 0.00 WT3 H ATOM 42837 H2 TIP3 5513 -26.983 -0.826 3.745 1.00 0.00 WT3 H ATOM 42838 OH2 TIP3 5514 -3.801 2.131 1.321 1.00 0.00 WT3 O ATOM 42839 H1 TIP3 5514 -1.805 6.949 -0.930 1.00 0.00 WT3 H ATOM 42840 H2 TIP3 5514 -4.294 1.147 1.347 1.00 0.00 WT3 H ATOM 42841 OH2 TIP3 5517 5.969 2.381 -0.850 1.00 0.00 WT3 O ATOM 42842 H1 TIP3 5517 1.527 -3.614 5.597 1.00 0.00 WT3 H ATOM 42843 H2 TIP3 5517 6.309 5.651 -5.770 1.00 0.00 WT3 H ATOM 42844 OH2 TIP3 5518 -1.780 -4.310 -0.469 1.00 0.00 WT3 O ATOM 42845 H1 TIP3 5518 -19.482 -14.712 -10.984 1.00 0.00 WT3 H ATOM 42846 H2 TIP3 5518 14.965 -7.633 -15.417 1.00 0.00 WT3 H ATOM 42847 OH2 TIP3 5519 3.951 -1.757 -4.564 1.00 0.00 WT3 O ATOM 42848 H1 TIP3 5519 -11.685 3.546 -8.537 1.00 0.00 WT3 H ATOM 42849 H2 TIP3 5519 0.479 -7.826 -0.941 1.00 0.00 WT3 H ATOM 42850 OH2 TIP3 5520 -3.655 0.294 6.382 1.00 0.00 WT3 O ATOM 42851 H1 TIP3 5520 14.183 -6.552 6.572 1.00 0.00 WT3 H ATOM 42852 H2 TIP3 5520 -7.321 29.632 11.627 1.00 0.00 WT3 H ATOM 42853 OH2 TIP3 5523 1.606 -4.241 2.879 1.00 0.00 WT3 O ATOM 42854 H1 TIP3 5523 0.458 1.028 7.184 1.00 0.00 WT3 H ATOM 42855 H2 TIP3 5523 -4.352 -9.522 -4.542 1.00 0.00 WT3 H ATOM 42856 OH2 TIP3 5526 -1.770 -1.193 3.362 1.00 0.00 WT3 O ATOM 42857 H1 TIP3 5526 -17.043 6.886 10.573 1.00 0.00 WT3 H ATOM 42858 H2 TIP3 5526 -3.725 10.810 11.566 1.00 0.00 WT3 H ATOM 42859 OH2 TIP3 5528 -6.736 7.022 -3.912 1.00 0.00 WT3 O ATOM 42860 H1 TIP3 5528 -22.885 -12.659 -8.551 1.00 0.00 WT3 H ATOM 42861 H2 TIP3 5528 20.544 5.423 -14.125 1.00 0.00 WT3 H ATOM 42862 OH2 TIP3 5529 -5.220 7.462 4.049 1.00 0.00 WT3 O ATOM 42863 H1 TIP3 5529 -12.726 1.830 28.730 1.00 0.00 WT3 H ATOM 42864 H2 TIP3 5529 -2.137 -10.673 -4.509 1.00 0.00 WT3 H ATOM 42865 OH2 TIP3 5537 6.658 -0.045 -1.331 1.00 0.00 WT3 O ATOM 42866 H1 TIP3 5537 15.497 -14.012 -2.461 1.00 0.00 WT3 H ATOM 42867 H2 TIP3 5537 18.562 -20.314 -1.062 1.00 0.00 WT3 H ATOM 42868 OH2 TIP3 5538 -6.327 -5.339 3.788 1.00 0.00 WT3 O ATOM 42869 H1 TIP3 5538 6.046 -21.479 -9.431 1.00 0.00 WT3 H ATOM 42870 H2 TIP3 5538 -19.754 -11.003 22.847 1.00 0.00 WT3 H ATOM 42871 OH2 TIP3 5544 -6.761 -3.184 -0.113 1.00 0.00 WT3 O ATOM 42872 H1 TIP3 5544 -13.643 -4.037 -4.143 1.00 0.00 WT3 H ATOM 42873 H2 TIP3 5544 7.571 0.908 6.591 1.00 0.00 WT3 H ATOM 42874 OH2 TIP3 5553 5.080 -3.492 2.020 1.00 0.00 WT3 O ATOM 42875 H1 TIP3 5553 13.186 -27.119 13.105 1.00 0.00 WT3 H ATOM 42876 H2 TIP3 5553 4.658 20.176 -2.375 1.00 0.00 WT3 H ATOM 42877 OH2 TIP3 5561 -0.012 -1.721 4.510 1.00 0.00 WT3 O ATOM 42878 H1 TIP3 5561 -0.377 -7.907 -7.511 1.00 0.00 WT3 H ATOM 42879 H2 TIP3 5561 9.459 7.703 5.121 1.00 0.00 WT3 H ATOM 42880 OH2 TIP3 5650 1.427 -2.890 -0.363 1.00 0.00 WT3 O ATOM 42881 H1 TIP3 5650 -0.772 -9.141 5.994 1.00 0.00 WT3 H ATOM 42882 H2 TIP3 5650 -11.782 5.418 2.482 1.00 0.00 WT3 H ATOM 42883 OH2 TIP3 5654 6.961 1.190 0.933 1.00 0.00 WT3 O ATOM 42884 H1 TIP3 5654 7.660 -18.598 3.460 1.00 0.00 WT3 H ATOM 42885 H2 TIP3 5654 2.216 23.192 -0.508 1.00 0.00 WT3 H ATOM 42886 OH2 TIP3 5669 -3.661 -3.246 3.007 1.00 0.00 WT3 O ATOM 42887 H1 TIP3 5669 21.809 13.117 13.574 1.00 0.00 WT3 H ATOM 42888 H2 TIP3 5669 -7.704 -15.200 22.429 1.00 0.00 WT3 H ATOM 42889 OH2 TIP3 5676 -3.830 7.776 -0.549 1.00 0.00 WT3 O ATOM 42890 H1 TIP3 5676 -4.537 0.998 -3.974 1.00 0.00 WT3 H ATOM 42891 H2 TIP3 5676 7.382 15.479 -8.619 1.00 0.00 WT3 H ATOM 42892 OH2 TIP3 5678 5.011 -4.107 0.128 1.00 0.00 WT3 O ATOM 42893 H1 TIP3 5678 10.999 12.106 4.595 1.00 0.00 WT3 H ATOM 42894 H2 TIP3 5678 15.030 -0.093 -22.878 1.00 0.00 WT3 H ATOM 42895 OH2 TIP3 5679 1.898 -0.209 -2.551 1.00 0.00 WT3 O ATOM 42896 H1 TIP3 5679 5.400 -11.279 -3.879 1.00 0.00 WT3 H ATOM 42897 H2 TIP3 5679 -5.485 -19.961 -3.765 1.00 0.00 WT3 H ATOM 42898 OH2 TIP3 5690 4.482 2.731 -5.964 1.00 0.00 WT3 O ATOM 42899 H1 TIP3 5690 9.553 14.105 -15.400 1.00 0.00 WT3 H ATOM 42900 H2 TIP3 5690 -6.237 -3.749 -12.202 1.00 0.00 WT3 H ATOM 42901 OH2 TIP3 5691 3.895 3.091 2.022 1.00 0.00 WT3 O ATOM 42902 H1 TIP3 5691 7.645 24.800 -15.040 1.00 0.00 WT3 H ATOM 42903 H2 TIP3 5691 -3.962 3.043 5.947 1.00 0.00 WT3 H ATOM 42904 OH2 TIP3 5692 3.303 -4.705 0.077 1.00 0.00 WT3 O ATOM 42905 H1 TIP3 5692 -4.958 12.513 -10.261 1.00 0.00 WT3 H ATOM 42906 H2 TIP3 5692 10.380 -6.883 6.898 1.00 0.00 WT3 H ATOM 42907 OH2 TIP3 5697 -2.443 2.477 2.698 1.00 0.00 WT3 O ATOM 42908 H1 TIP3 5697 -27.544 18.954 -11.241 1.00 0.00 WT3 H ATOM 42909 H2 TIP3 5697 -5.790 19.219 16.059 1.00 0.00 WT3 H ATOM 42910 OH2 TIP3 5706 0.437 4.202 -1.766 1.00 0.00 WT3 O ATOM 42911 H1 TIP3 5706 4.476 5.218 1.805 1.00 0.00 WT3 H ATOM 42912 H2 TIP3 5706 -0.714 15.933 2.058 1.00 0.00 WT3 H ATOM 42913 OH2 TIP3 5710 10.045 -0.842 4.246 1.00 0.00 WT3 O ATOM 42914 H1 TIP3 5710 -11.534 -16.391 18.576 1.00 0.00 WT3 H ATOM 42915 H2 TIP3 5710 0.298 17.084 -19.056 1.00 0.00 WT3 H ATOM 42916 OH2 TIP3 5711 2.408 14.925 1.393 1.00 0.00 WT3 O ATOM 42917 H1 TIP3 5711 -3.435 -4.793 0.027 1.00 0.00 WT3 H ATOM 42918 H2 TIP3 5711 16.737 8.846 -5.897 1.00 0.00 WT3 H ATOM 42919 OH2 TIP3 5714 2.313 -3.904 1.453 1.00 0.00 WT3 O ATOM 42920 H1 TIP3 5714 17.332 4.484 -0.992 1.00 0.00 WT3 H ATOM 42921 H2 TIP3 5714 -16.228 -5.481 8.337 1.00 0.00 WT3 H ATOM 42922 OH2 TIP3 5715 0.077 0.443 1.784 1.00 0.00 WT3 O ATOM 42923 H1 TIP3 5715 0.691 9.489 0.075 1.00 0.00 WT3 H ATOM 42924 H2 TIP3 5715 5.926 -8.172 -0.501 1.00 0.00 WT3 H ATOM 42925 OH2 TIP3 5720 0.585 0.097 -0.902 1.00 0.00 WT3 O ATOM 42926 H1 TIP3 5720 5.357 17.083 2.638 1.00 0.00 WT3 H ATOM 42927 H2 TIP3 5720 -13.721 -18.145 -1.014 1.00 0.00 WT3 H ATOM 42928 OH2 TIP3 5723 0.989 -8.170 -0.092 1.00 0.00 WT3 O ATOM 42929 H1 TIP3 5723 -8.528 -20.161 1.750 1.00 0.00 WT3 H ATOM 42930 H2 TIP3 5723 11.745 2.246 -1.889 1.00 0.00 WT3 H ATOM 42931 OH2 TIP3 5727 -1.596 -3.168 -0.526 1.00 0.00 WT3 O ATOM 42932 H1 TIP3 5727 6.819 -11.405 5.042 1.00 0.00 WT3 H ATOM 42933 H2 TIP3 5727 2.678 6.585 -3.354 1.00 0.00 WT3 H ATOM 42934 OH2 TIP3 5733 0.576 -6.723 -0.594 1.00 0.00 WT3 O ATOM 42935 H1 TIP3 5733 1.364 -6.968 -10.624 1.00 0.00 WT3 H ATOM 42936 H2 TIP3 5733 3.336 -19.517 27.761 1.00 0.00 WT3 H ATOM 42937 OH2 TIP3 5734 -3.288 -1.481 2.036 1.00 0.00 WT3 O ATOM 42938 H1 TIP3 5734 -20.016 26.097 -0.559 1.00 0.00 WT3 H ATOM 42939 H2 TIP3 5734 -9.543 -2.408 4.279 1.00 0.00 WT3 H ATOM 42940 OH2 TIP3 5736 -0.122 -2.600 -3.112 1.00 0.00 WT3 O ATOM 42941 H1 TIP3 5736 -17.121 19.424 -1.741 1.00 0.00 WT3 H ATOM 42942 H2 TIP3 5736 -0.303 -3.667 -1.789 1.00 0.00 WT3 H ATOM 42943 OH2 TIP3 5738 -5.004 -3.454 9.428 1.00 0.00 WT3 O ATOM 42944 H1 TIP3 5738 7.296 16.561 -5.730 1.00 0.00 WT3 H ATOM 42945 H2 TIP3 5738 -37.270 -0.693 -7.852 1.00 0.00 WT3 H ATOM 42946 OH2 TIP3 5744 6.145 1.933 -2.877 1.00 0.00 WT3 O ATOM 42947 H1 TIP3 5744 3.860 4.301 -1.035 1.00 0.00 WT3 H ATOM 42948 H2 TIP3 5744 6.866 -0.783 2.811 1.00 0.00 WT3 H ATOM 42949 OH2 TIP3 5749 5.145 5.822 2.899 1.00 0.00 WT3 O ATOM 42950 H1 TIP3 5749 7.621 6.978 6.864 1.00 0.00 WT3 H ATOM 42951 H2 TIP3 5749 4.984 6.837 11.812 1.00 0.00 WT3 H ATOM 42952 OH2 TIP3 5750 -3.409 -3.109 -8.332 1.00 0.00 WT3 O ATOM 42953 H1 TIP3 5750 7.544 -13.459 11.584 1.00 0.00 WT3 H ATOM 42954 H2 TIP3 5750 -24.167 -11.604 -3.321 1.00 0.00 WT3 H ATOM 42955 OH2 TIP3 5753 -0.079 -0.852 0.012 1.00 0.00 WT3 O ATOM 42956 H1 TIP3 5753 -6.900 -0.994 5.489 1.00 0.00 WT3 H ATOM 42957 H2 TIP3 5753 16.719 -4.116 7.325 1.00 0.00 WT3 H ATOM 42958 OH2 TIP3 5754 -0.038 -0.864 1.550 1.00 0.00 WT3 O ATOM 42959 H1 TIP3 5754 -5.739 -9.436 26.125 1.00 0.00 WT3 H ATOM 42960 H2 TIP3 5754 -4.466 -26.862 7.990 1.00 0.00 WT3 H ATOM 42961 OH2 TIP3 5755 -4.093 -3.333 3.218 1.00 0.00 WT3 O ATOM 42962 H1 TIP3 5755 -3.018 -2.755 3.923 1.00 0.00 WT3 H ATOM 42963 H2 TIP3 5755 -6.499 -2.956 5.508 1.00 0.00 WT3 H ATOM 42964 OH2 TIP3 5756 6.010 3.189 5.759 1.00 0.00 WT3 O ATOM 42965 H1 TIP3 5756 9.802 -3.518 4.409 1.00 0.00 WT3 H ATOM 42966 H2 TIP3 5756 1.659 -5.699 -15.702 1.00 0.00 WT3 H ATOM 42967 OH2 TIP3 5757 -2.850 -0.870 2.528 1.00 0.00 WT3 O ATOM 42968 H1 TIP3 5757 4.339 -12.010 -11.885 1.00 0.00 WT3 H ATOM 42969 H2 TIP3 5757 3.412 16.104 -1.695 1.00 0.00 WT3 H ATOM 42970 OH2 TIP3 5758 -1.685 1.265 3.531 1.00 0.00 WT3 O ATOM 42971 H1 TIP3 5758 -3.598 20.220 -5.539 1.00 0.00 WT3 H ATOM 42972 H2 TIP3 5758 -2.559 -8.893 -27.456 1.00 0.00 WT3 H ATOM 42973 OH2 TIP3 5764 -3.383 1.533 0.163 1.00 0.00 WT3 O ATOM 42974 H1 TIP3 5764 2.883 7.148 14.641 1.00 0.00 WT3 H ATOM 42975 H2 TIP3 5764 22.242 -10.713 11.186 1.00 0.00 WT3 H ATOM 42976 OH2 TIP3 5768 0.217 2.540 1.251 1.00 0.00 WT3 O ATOM 42977 H1 TIP3 5768 2.967 10.365 -4.657 1.00 0.00 WT3 H ATOM 42978 H2 TIP3 5768 -7.012 5.652 0.992 1.00 0.00 WT3 H ATOM 42979 OH2 TIP3 5772 -2.180 -6.378 -2.035 1.00 0.00 WT3 O ATOM 42980 H1 TIP3 5772 -0.103 -0.788 1.438 1.00 0.00 WT3 H ATOM 42981 H2 TIP3 5772 13.205 14.576 -4.458 1.00 0.00 WT3 H ATOM 42982 OH2 TIP3 5774 7.770 0.573 -8.933 1.00 0.00 WT3 O ATOM 42983 H1 TIP3 5774 8.712 3.636 -21.918 1.00 0.00 WT3 H ATOM 42984 H2 TIP3 5774 17.378 4.791 -9.598 1.00 0.00 WT3 H ATOM 42985 OH2 TIP3 5776 4.881 -0.887 6.666 1.00 0.00 WT3 O ATOM 42986 H1 TIP3 5776 1.294 10.033 19.425 1.00 0.00 WT3 H ATOM 42987 H2 TIP3 5776 10.795 -1.925 -3.788 1.00 0.00 WT3 H ATOM 42988 OH2 TIP3 5777 -0.193 1.156 6.276 1.00 0.00 WT3 O ATOM 42989 H1 TIP3 5777 -12.538 -9.433 0.277 1.00 0.00 WT3 H ATOM 42990 H2 TIP3 5777 -4.219 10.925 0.170 1.00 0.00 WT3 H ATOM 42991 OH2 TIP3 5778 5.609 -6.788 -8.769 1.00 0.00 WT3 O ATOM 42992 H1 TIP3 5778 -5.068 -25.617 -11.269 1.00 0.00 WT3 H ATOM 42993 H2 TIP3 5778 8.026 -10.276 -7.402 1.00 0.00 WT3 H ATOM 42994 OH2 TIP3 5779 -0.015 7.703 2.610 1.00 0.00 WT3 O ATOM 42995 H1 TIP3 5779 -5.714 16.745 2.639 1.00 0.00 WT3 H ATOM 42996 H2 TIP3 5779 -6.290 6.510 14.405 1.00 0.00 WT3 H ATOM 42997 OH2 TIP3 5780 -2.688 2.320 -4.513 1.00 0.00 WT3 O ATOM 42998 H1 TIP3 5780 20.828 17.637 11.691 1.00 0.00 WT3 H ATOM 42999 H2 TIP3 5780 18.083 8.622 0.533 1.00 0.00 WT3 H ATOM 43000 OH2 TIP3 5781 1.121 3.950 7.663 1.00 0.00 WT3 O ATOM 43001 H1 TIP3 5781 6.202 10.903 12.843 1.00 0.00 WT3 H ATOM 43002 H2 TIP3 5781 -5.749 6.772 -9.643 1.00 0.00 WT3 H ATOM 43003 OH2 TIP3 5782 -5.534 -1.808 0.022 1.00 0.00 WT3 O ATOM 43004 H1 TIP3 5782 -1.744 0.848 -8.580 1.00 0.00 WT3 H ATOM 43005 H2 TIP3 5782 6.151 -6.976 0.048 1.00 0.00 WT3 H ATOM 43006 OH2 TIP3 5787 0.552 -1.060 2.574 1.00 0.00 WT3 O ATOM 43007 H1 TIP3 5787 -1.919 1.059 2.560 1.00 0.00 WT3 H ATOM 43008 H2 TIP3 5787 5.224 -4.266 3.922 1.00 0.00 WT3 H ATOM 43009 OH2 TIP3 5790 -0.900 -2.286 -0.901 1.00 0.00 WT3 O ATOM 43010 H1 TIP3 5790 23.862 -12.663 5.175 1.00 0.00 WT3 H ATOM 43011 H2 TIP3 5790 15.384 -10.861 0.451 1.00 0.00 WT3 H ATOM 43012 OH2 TIP3 5795 11.270 -2.667 3.048 1.00 0.00 WT3 O ATOM 43013 H1 TIP3 5795 4.744 9.978 7.886 1.00 0.00 WT3 H ATOM 43014 H2 TIP3 5795 19.061 -8.255 -7.435 1.00 0.00 WT3 H ATOM 43015 OH2 TIP3 5797 5.189 1.405 -1.597 1.00 0.00 WT3 O ATOM 43016 H1 TIP3 5797 2.152 -2.096 -3.323 1.00 0.00 WT3 H ATOM 43017 H2 TIP3 5797 11.991 -5.523 1.786 1.00 0.00 WT3 H ATOM 43018 OH2 TIP3 5798 3.415 -5.114 0.246 1.00 0.00 WT3 O ATOM 43019 H1 TIP3 5798 17.731 -1.624 -18.649 1.00 0.00 WT3 H ATOM 43020 H2 TIP3 5798 -8.291 11.894 -10.392 1.00 0.00 WT3 H ATOM 43021 OH2 TIP3 5799 2.031 -2.173 -5.580 1.00 0.00 WT3 O ATOM 43022 H1 TIP3 5799 -0.454 2.365 -0.215 1.00 0.00 WT3 H ATOM 43023 H2 TIP3 5799 4.056 -9.658 -14.347 1.00 0.00 WT3 H ATOM 43024 OH2 TIP3 5800 0.267 -0.280 -2.165 1.00 0.00 WT3 O ATOM 43025 H1 TIP3 5800 -5.723 -5.636 -13.015 1.00 0.00 WT3 H ATOM 43026 H2 TIP3 5800 -6.805 -3.032 -4.841 1.00 0.00 WT3 H ATOM 43027 OH2 TIP3 5801 -7.176 -2.142 2.665 1.00 0.00 WT3 O ATOM 43028 H1 TIP3 5801 24.330 14.779 -7.968 1.00 0.00 WT3 H ATOM 43029 H2 TIP3 5801 11.417 -6.873 -0.416 1.00 0.00 WT3 H ATOM 43030 OH2 TIP3 5802 1.019 -0.405 1.239 1.00 0.00 WT3 O ATOM 43031 H1 TIP3 5802 -8.565 -10.498 -13.810 1.00 0.00 WT3 H ATOM 43032 H2 TIP3 5802 4.719 3.730 7.636 1.00 0.00 WT3 H ATOM 43033 OH2 TIP3 5803 -0.457 -2.629 2.165 1.00 0.00 WT3 O ATOM 43034 H1 TIP3 5803 0.203 -5.846 -7.321 1.00 0.00 WT3 H ATOM 43035 H2 TIP3 5803 0.088 -5.286 -1.644 1.00 0.00 WT3 H ATOM 43036 OH2 TIP3 5808 -1.480 0.286 -4.144 1.00 0.00 WT3 O ATOM 43037 H1 TIP3 5808 3.797 6.780 10.565 1.00 0.00 WT3 H ATOM 43038 H2 TIP3 5808 -14.209 -16.861 -42.467 1.00 0.00 WT3 H ATOM 43039 OH2 TIP3 5809 -4.356 -6.728 -4.818 1.00 0.00 WT3 O ATOM 43040 H1 TIP3 5809 -2.450 -8.614 -10.168 1.00 0.00 WT3 H ATOM 43041 H2 TIP3 5809 -18.097 8.975 38.634 1.00 0.00 WT3 H ATOM 43042 OH2 TIP3 5810 5.965 -6.738 3.478 1.00 0.00 WT3 O ATOM 43043 H1 TIP3 5810 2.866 -2.746 -0.172 1.00 0.00 WT3 H ATOM 43044 H2 TIP3 5810 4.340 -3.729 1.190 1.00 0.00 WT3 H ATOM 43045 OH2 TIP3 5812 -2.016 -0.773 -2.429 1.00 0.00 WT3 O ATOM 43046 H1 TIP3 5812 -0.482 -7.627 5.315 1.00 0.00 WT3 H ATOM 43047 H2 TIP3 5812 7.294 -10.514 6.239 1.00 0.00 WT3 H ATOM 43048 OH2 TIP3 5813 -0.796 -7.800 6.649 1.00 0.00 WT3 O ATOM 43049 H1 TIP3 5813 8.239 13.393 14.991 1.00 0.00 WT3 H ATOM 43050 H2 TIP3 5813 -1.821 10.386 15.952 1.00 0.00 WT3 H ATOM 43051 OH2 TIP3 5814 -1.594 -1.774 -0.402 1.00 0.00 WT3 O ATOM 43052 H1 TIP3 5814 -12.042 3.007 -11.324 1.00 0.00 WT3 H ATOM 43053 H2 TIP3 5814 -19.784 4.991 -9.324 1.00 0.00 WT3 H ATOM 43054 OH2 TIP3 5815 0.519 -2.899 1.752 1.00 0.00 WT3 O ATOM 43055 H1 TIP3 5815 9.016 10.926 -1.370 1.00 0.00 WT3 H ATOM 43056 H2 TIP3 5815 16.117 17.890 -0.801 1.00 0.00 WT3 H ATOM 43057 OH2 TIP3 5816 -6.160 -2.433 3.571 1.00 0.00 WT3 O ATOM 43058 H1 TIP3 5816 -5.341 13.876 -20.365 1.00 0.00 WT3 H ATOM 43059 H2 TIP3 5816 14.482 8.171 12.499 1.00 0.00 WT3 H ATOM 43060 OH2 TIP3 5817 3.587 -6.601 -1.653 1.00 0.00 WT3 O ATOM 43061 H1 TIP3 5817 19.674 -22.733 -14.625 1.00 0.00 WT3 H ATOM 43062 H2 TIP3 5817 1.163 -1.772 5.032 1.00 0.00 WT3 H ATOM 43063 OH2 TIP3 5818 -2.112 -0.647 7.308 1.00 0.00 WT3 O ATOM 43064 H1 TIP3 5818 3.443 6.192 5.784 1.00 0.00 WT3 H ATOM 43065 H2 TIP3 5818 8.584 -5.094 -7.249 1.00 0.00 WT3 H ATOM 43066 OH2 TIP3 5819 -2.155 -3.344 -2.194 1.00 0.00 WT3 O ATOM 43067 H1 TIP3 5819 11.632 0.440 -9.933 1.00 0.00 WT3 H ATOM 43068 H2 TIP3 5819 -12.469 4.522 -24.284 1.00 0.00 WT3 H ATOM 43069 OH2 TIP3 5820 -3.070 -5.950 0.013 1.00 0.00 WT3 O ATOM 43070 H1 TIP3 5820 18.518 -15.044 32.735 1.00 0.00 WT3 H ATOM 43071 H2 TIP3 5820 -23.479 -3.153 -10.334 1.00 0.00 WT3 H ATOM 43072 OH2 TIP3 5821 2.308 7.739 0.531 1.00 0.00 WT3 O ATOM 43073 H1 TIP3 5821 -11.129 4.754 9.030 1.00 0.00 WT3 H ATOM 43074 H2 TIP3 5821 12.295 3.953 -7.198 1.00 0.00 WT3 H ATOM 43075 OH2 TIP3 5823 0.338 -1.770 3.839 1.00 0.00 WT3 O ATOM 43076 H1 TIP3 5823 1.157 -12.482 -4.643 1.00 0.00 WT3 H ATOM 43077 H2 TIP3 5823 -5.622 -3.912 0.427 1.00 0.00 WT3 H ATOM 43078 OH2 TIP3 5827 4.454 1.402 -1.549 1.00 0.00 WT3 O ATOM 43079 H1 TIP3 5827 -16.367 -16.961 14.945 1.00 0.00 WT3 H ATOM 43080 H2 TIP3 5827 16.445 -4.873 -5.767 1.00 0.00 WT3 H ATOM 43081 OH2 TIP3 5828 -3.257 -1.525 -5.229 1.00 0.00 WT3 O ATOM 43082 H1 TIP3 5828 15.152 14.939 5.481 1.00 0.00 WT3 H ATOM 43083 H2 TIP3 5828 2.430 8.865 -0.256 1.00 0.00 WT3 H ATOM 43084 OH2 TIP3 5829 -0.939 0.170 0.908 1.00 0.00 WT3 O ATOM 43085 H1 TIP3 5829 -5.386 -10.020 5.214 1.00 0.00 WT3 H ATOM 43086 H2 TIP3 5829 10.549 14.220 -3.932 1.00 0.00 WT3 H ATOM 43087 OH2 TIP3 5830 -3.034 -3.044 -4.390 1.00 0.00 WT3 O ATOM 43088 H1 TIP3 5830 -19.355 -17.357 -9.720 1.00 0.00 WT3 H ATOM 43089 H2 TIP3 5830 -12.294 10.410 11.965 1.00 0.00 WT3 H ATOM 43090 OH2 TIP3 5832 -0.778 2.004 1.717 1.00 0.00 WT3 O ATOM 43091 H1 TIP3 5832 11.820 10.150 -23.091 1.00 0.00 WT3 H ATOM 43092 H2 TIP3 5832 6.593 -2.728 4.747 1.00 0.00 WT3 H ATOM 43093 OH2 TIP3 5835 5.261 -0.626 -1.058 1.00 0.00 WT3 O ATOM 43094 H1 TIP3 5835 -2.009 15.051 5.006 1.00 0.00 WT3 H ATOM 43095 H2 TIP3 5835 -5.995 9.790 16.236 1.00 0.00 WT3 H ATOM 43096 OH2 TIP3 5836 0.267 3.219 0.034 1.00 0.00 WT3 O ATOM 43097 H1 TIP3 5836 14.984 -2.089 10.934 1.00 0.00 WT3 H ATOM 43098 H2 TIP3 5836 5.007 -4.778 -5.646 1.00 0.00 WT3 H ATOM 43099 OH2 TIP3 5837 2.523 2.394 -5.036 1.00 0.00 WT3 O ATOM 43100 H1 TIP3 5837 -22.097 -15.508 18.513 1.00 0.00 WT3 H ATOM 43101 H2 TIP3 5837 -6.029 -0.144 -10.356 1.00 0.00 WT3 H ATOM 43102 OH2 TIP3 5838 4.379 0.489 0.147 1.00 0.00 WT3 O ATOM 43103 H1 TIP3 5838 11.909 -3.880 -2.091 1.00 0.00 WT3 H ATOM 43104 H2 TIP3 5838 -3.985 -1.253 14.321 1.00 0.00 WT3 H ATOM 43105 OH2 TIP3 5839 7.349 -0.375 6.392 1.00 0.00 WT3 O ATOM 43106 H1 TIP3 5839 -2.317 -8.194 14.384 1.00 0.00 WT3 H ATOM 43107 H2 TIP3 5839 6.897 -6.321 -1.845 1.00 0.00 WT3 H ATOM 43108 OH2 TIP3 5840 2.628 5.079 1.950 1.00 0.00 WT3 O ATOM 43109 H1 TIP3 5840 1.930 7.905 3.087 1.00 0.00 WT3 H ATOM 43110 H2 TIP3 5840 -1.000 7.274 3.408 1.00 0.00 WT3 H ATOM 43111 OH2 TIP3 5841 -2.439 7.833 1.440 1.00 0.00 WT3 O ATOM 43112 H1 TIP3 5841 -7.435 2.679 22.755 1.00 0.00 WT3 H ATOM 43113 H2 TIP3 5841 19.661 0.893 -6.568 1.00 0.00 WT3 H ATOM 43114 OH2 TIP3 5842 -4.497 -1.503 -5.132 1.00 0.00 WT3 O ATOM 43115 H1 TIP3 5842 -11.119 1.058 -7.090 1.00 0.00 WT3 H ATOM 43116 H2 TIP3 5842 -2.168 -12.134 -3.836 1.00 0.00 WT3 H ATOM 43117 OH2 TIP3 5843 -10.553 3.275 -2.843 1.00 0.00 WT3 O ATOM 43118 H1 TIP3 5843 17.368 10.989 26.583 1.00 0.00 WT3 H ATOM 43119 H2 TIP3 5843 5.054 8.851 17.967 1.00 0.00 WT3 H ATOM 43120 OH2 TIP3 5844 2.233 4.168 -8.269 1.00 0.00 WT3 O ATOM 43121 H1 TIP3 5844 -2.035 7.856 11.429 1.00 0.00 WT3 H ATOM 43122 H2 TIP3 5844 3.546 10.516 -3.614 1.00 0.00 WT3 H ATOM 43123 OH2 TIP3 5845 -2.153 -0.912 -1.121 1.00 0.00 WT3 O ATOM 43124 H1 TIP3 5845 0.335 -6.321 -9.290 1.00 0.00 WT3 H ATOM 43125 H2 TIP3 5845 -5.229 6.482 -3.476 1.00 0.00 WT3 H ATOM 43126 OH2 TIP3 5846 1.119 4.392 -4.382 1.00 0.00 WT3 O ATOM 43127 H1 TIP3 5846 -1.691 2.688 -0.690 1.00 0.00 WT3 H ATOM 43128 H2 TIP3 5846 0.828 25.528 10.014 1.00 0.00 WT3 H ATOM 43129 OH2 TIP3 5848 2.901 1.885 0.015 1.00 0.00 WT3 O ATOM 43130 H1 TIP3 5848 10.506 -6.955 -42.098 1.00 0.00 WT3 H ATOM 43131 H2 TIP3 5848 -2.062 7.608 18.375 1.00 0.00 WT3 H ATOM 43132 OH2 TIP3 5850 1.724 0.312 -5.549 1.00 0.00 WT3 O ATOM 43133 H1 TIP3 5850 37.492 -8.025 5.857 1.00 0.00 WT3 H ATOM 43134 H2 TIP3 5850 -27.285 -17.438 -12.630 1.00 0.00 WT3 H ATOM 43135 OH2 TIP3 5851 3.165 5.741 -5.596 1.00 0.00 WT3 O ATOM 43136 H1 TIP3 5851 -3.622 -6.024 0.802 1.00 0.00 WT3 H ATOM 43137 H2 TIP3 5851 0.038 0.972 -4.600 1.00 0.00 WT3 H ATOM 43138 OH2 TIP3 5853 1.744 -0.238 6.177 1.00 0.00 WT3 O ATOM 43139 H1 TIP3 5853 1.232 -17.284 6.209 1.00 0.00 WT3 H ATOM 43140 H2 TIP3 5853 3.406 17.015 1.423 1.00 0.00 WT3 H ATOM 43141 OH2 TIP3 5854 0.089 5.609 -3.189 1.00 0.00 WT3 O ATOM 43142 H1 TIP3 5854 3.520 -10.354 4.908 1.00 0.00 WT3 H ATOM 43143 H2 TIP3 5854 7.501 6.749 0.825 1.00 0.00 WT3 H ATOM 43144 OH2 TIP3 5855 -1.175 -1.540 4.664 1.00 0.00 WT3 O ATOM 43145 H1 TIP3 5855 14.130 -2.757 -6.867 1.00 0.00 WT3 H ATOM 43146 H2 TIP3 5855 -7.239 -19.786 5.772 1.00 0.00 WT3 H ATOM 43147 OH2 TIP3 5856 -1.444 -3.565 -3.238 1.00 0.00 WT3 O ATOM 43148 H1 TIP3 5856 -3.953 -1.606 -6.218 1.00 0.00 WT3 H ATOM 43149 H2 TIP3 5856 -2.404 4.256 -4.835 1.00 0.00 WT3 H ATOM 43150 OH2 TIP3 5857 3.782 -7.554 -3.429 1.00 0.00 WT3 O ATOM 43151 H1 TIP3 5857 -2.567 -8.365 -9.467 1.00 0.00 WT3 H ATOM 43152 H2 TIP3 5857 11.343 -7.533 4.483 1.00 0.00 WT3 H ATOM 43153 OH2 TIP3 5858 6.783 4.990 9.852 1.00 0.00 WT3 O ATOM 43154 H1 TIP3 5858 3.612 9.443 24.357 1.00 0.00 WT3 H ATOM 43155 H2 TIP3 5858 -18.133 14.312 10.830 1.00 0.00 WT3 H ATOM 43156 OH2 TIP3 5859 5.117 -2.656 4.816 1.00 0.00 WT3 O ATOM 43157 H1 TIP3 5859 -7.057 15.352 -13.336 1.00 0.00 WT3 H ATOM 43158 H2 TIP3 5859 1.004 3.441 -1.346 1.00 0.00 WT3 H ATOM 43159 OH2 TIP3 5860 1.029 3.854 -1.172 1.00 0.00 WT3 O ATOM 43160 H1 TIP3 5860 12.175 -1.093 -16.349 1.00 0.00 WT3 H ATOM 43161 H2 TIP3 5860 -13.006 -1.289 -1.063 1.00 0.00 WT3 H ATOM 43162 OH2 TIP3 5861 8.240 0.107 2.446 1.00 0.00 WT3 O ATOM 43163 H1 TIP3 5861 -8.397 9.137 8.386 1.00 0.00 WT3 H ATOM 43164 H2 TIP3 5861 11.529 -1.549 1.167 1.00 0.00 WT3 H ATOM 43165 OH2 TIP3 5862 -0.231 0.289 5.470 1.00 0.00 WT3 O ATOM 43166 H1 TIP3 5862 2.383 -9.219 30.945 1.00 0.00 WT3 H ATOM 43167 H2 TIP3 5862 0.234 -11.164 4.738 1.00 0.00 WT3 H ATOM 43168 OH2 TIP3 5863 -3.615 -1.238 1.602 1.00 0.00 WT3 O ATOM 43169 H1 TIP3 5863 -3.831 -5.494 -4.414 1.00 0.00 WT3 H ATOM 43170 H2 TIP3 5863 -4.685 -5.408 -0.159 1.00 0.00 WT3 H ATOM 43171 OH2 TIP3 5864 -6.656 4.682 5.443 1.00 0.00 WT3 O ATOM 43172 H1 TIP3 5864 -1.459 23.451 19.666 1.00 0.00 WT3 H ATOM 43173 H2 TIP3 5864 10.081 6.282 14.353 1.00 0.00 WT3 H ATOM 43174 OH2 TIP3 5865 2.053 -2.482 -2.805 1.00 0.00 WT3 O ATOM 43175 H1 TIP3 5865 -11.540 -0.169 -7.086 1.00 0.00 WT3 H ATOM 43176 H2 TIP3 5865 2.654 1.541 -3.530 1.00 0.00 WT3 H ATOM 43177 OH2 TIP3 5866 1.776 -6.793 -3.108 1.00 0.00 WT3 O ATOM 43178 H1 TIP3 5866 -15.775 -2.498 13.390 1.00 0.00 WT3 H ATOM 43179 H2 TIP3 5866 6.587 8.727 -9.228 1.00 0.00 WT3 H ATOM 43180 OH2 TIP3 5868 -0.008 -3.367 -4.758 1.00 0.00 WT3 O ATOM 43181 H1 TIP3 5868 -1.668 -10.203 7.435 1.00 0.00 WT3 H ATOM 43182 H2 TIP3 5868 2.650 -7.080 11.119 1.00 0.00 WT3 H ATOM 43183 OH2 TIP3 5870 -8.244 3.019 0.367 1.00 0.00 WT3 O ATOM 43184 H1 TIP3 5870 -5.801 23.111 -13.049 1.00 0.00 WT3 H ATOM 43185 H2 TIP3 5870 -5.020 -5.922 -11.867 1.00 0.00 WT3 H ATOM 43186 OH2 TIP3 5871 1.700 -1.519 3.810 1.00 0.00 WT3 O ATOM 43187 H1 TIP3 5871 -19.016 6.297 -2.326 1.00 0.00 WT3 H ATOM 43188 H2 TIP3 5871 8.886 -7.151 -6.549 1.00 0.00 WT3 H ATOM 43189 OH2 TIP3 5872 -10.768 1.259 -5.193 1.00 0.00 WT3 O ATOM 43190 H1 TIP3 5872 -6.743 -2.709 -0.471 1.00 0.00 WT3 H ATOM 43191 H2 TIP3 5872 -11.857 7.005 -8.142 1.00 0.00 WT3 H ATOM 43192 OH2 TIP3 5874 1.704 -1.267 -0.231 1.00 0.00 WT3 O ATOM 43193 H1 TIP3 5874 -2.909 20.809 6.141 1.00 0.00 WT3 H ATOM 43194 H2 TIP3 5874 15.471 -1.770 16.049 1.00 0.00 WT3 H ATOM 43195 OH2 TIP3 5875 3.167 -2.343 -0.516 1.00 0.00 WT3 O ATOM 43196 H1 TIP3 5875 21.198 -4.445 -16.739 1.00 0.00 WT3 H ATOM 43197 H2 TIP3 5875 -10.439 -3.113 -10.318 1.00 0.00 WT3 H ATOM 43198 OH2 TIP3 5876 1.331 1.737 -1.150 1.00 0.00 WT3 O ATOM 43199 H1 TIP3 5876 8.045 -10.925 -8.573 1.00 0.00 WT3 H ATOM 43200 H2 TIP3 5876 -2.670 -0.864 -1.673 1.00 0.00 WT3 H ATOM 43201 OH2 TIP3 5877 3.434 6.214 2.725 1.00 0.00 WT3 O ATOM 43202 H1 TIP3 5877 12.279 8.479 -9.641 1.00 0.00 WT3 H ATOM 43203 H2 TIP3 5877 6.665 3.590 7.526 1.00 0.00 WT3 H ATOM 43204 OH2 TIP3 5878 1.170 -0.565 1.300 1.00 0.00 WT3 O ATOM 43205 H1 TIP3 5878 7.671 -10.385 -2.880 1.00 0.00 WT3 H ATOM 43206 H2 TIP3 5878 -10.335 7.266 -5.240 1.00 0.00 WT3 H ATOM 43207 OH2 TIP3 5879 1.489 -4.300 -1.210 1.00 0.00 WT3 O ATOM 43208 H1 TIP3 5879 -0.381 -4.997 -1.395 1.00 0.00 WT3 H ATOM 43209 H2 TIP3 5879 18.010 11.808 -6.297 1.00 0.00 WT3 H ATOM 43210 OH2 TIP3 5880 2.786 1.497 -0.049 1.00 0.00 WT3 O ATOM 43211 H1 TIP3 5880 6.201 -1.539 -5.808 1.00 0.00 WT3 H ATOM 43212 H2 TIP3 5880 -6.932 9.398 12.242 1.00 0.00 WT3 H ATOM 43213 OH2 TIP3 5881 0.624 -2.965 7.309 1.00 0.00 WT3 O ATOM 43214 H1 TIP3 5881 -10.749 -16.273 11.047 1.00 0.00 WT3 H ATOM 43215 H2 TIP3 5881 0.068 -3.696 1.859 1.00 0.00 WT3 H ATOM 43216 OH2 TIP3 5882 1.685 3.278 5.295 1.00 0.00 WT3 O ATOM 43217 H1 TIP3 5882 23.653 -4.392 11.039 1.00 0.00 WT3 H ATOM 43218 H2 TIP3 5882 -30.784 11.329 13.914 1.00 0.00 WT3 H ATOM 43219 OH2 TIP3 5883 2.140 0.041 -1.064 1.00 0.00 WT3 O ATOM 43220 H1 TIP3 5883 -2.189 2.858 -9.817 1.00 0.00 WT3 H ATOM 43221 H2 TIP3 5883 0.957 -9.486 10.025 1.00 0.00 WT3 H ATOM 43222 OH2 TIP3 5884 6.826 1.401 -0.646 1.00 0.00 WT3 O ATOM 43223 H1 TIP3 5884 15.648 -0.010 -0.108 1.00 0.00 WT3 H ATOM 43224 H2 TIP3 5884 4.760 -1.311 3.391 1.00 0.00 WT3 H ATOM 43225 OH2 TIP3 5886 1.322 0.963 -5.211 1.00 0.00 WT3 O ATOM 43226 H1 TIP3 5886 -9.142 -11.754 0.601 1.00 0.00 WT3 H ATOM 43227 H2 TIP3 5886 -7.407 -15.602 5.124 1.00 0.00 WT3 H ATOM 43228 OH2 TIP3 5887 -5.247 -7.639 -0.964 1.00 0.00 WT3 O ATOM 43229 H1 TIP3 5887 -4.908 -14.232 -7.221 1.00 0.00 WT3 H ATOM 43230 H2 TIP3 5887 -4.642 1.016 4.574 1.00 0.00 WT3 H ATOM 43231 OH2 TIP3 5888 -5.507 -3.174 1.167 1.00 0.00 WT3 O ATOM 43232 H1 TIP3 5888 4.042 -18.990 -21.141 1.00 0.00 WT3 H ATOM 43233 H2 TIP3 5888 20.538 9.844 17.365 1.00 0.00 WT3 H ATOM 43234 OH2 TIP3 5889 0.878 4.417 -1.409 1.00 0.00 WT3 O ATOM 43235 H1 TIP3 5889 -1.107 2.905 -9.996 1.00 0.00 WT3 H ATOM 43236 H2 TIP3 5889 7.216 1.433 0.018 1.00 0.00 WT3 H ATOM 43237 OH2 TIP3 5890 -2.116 8.292 0.502 1.00 0.00 WT3 O ATOM 43238 H1 TIP3 5890 0.791 -5.855 11.522 1.00 0.00 WT3 H ATOM 43239 H2 TIP3 5890 -16.971 8.315 -11.646 1.00 0.00 WT3 H ATOM 43240 OH2 TIP3 5891 1.676 -2.472 -1.100 1.00 0.00 WT3 O ATOM 43241 H1 TIP3 5891 5.743 -4.228 -8.443 1.00 0.00 WT3 H ATOM 43242 H2 TIP3 5891 9.176 6.124 -19.690 1.00 0.00 WT3 H ATOM 43243 OH2 TIP3 5892 3.082 0.322 2.226 1.00 0.00 WT3 O ATOM 43244 H1 TIP3 5892 6.052 0.916 -1.204 1.00 0.00 WT3 H ATOM 43245 H2 TIP3 5892 8.113 1.368 -3.705 1.00 0.00 WT3 H ATOM 43246 OH2 TIP3 5893 -3.845 -6.108 9.603 1.00 0.00 WT3 O ATOM 43247 H1 TIP3 5893 -3.760 -2.600 11.010 1.00 0.00 WT3 H ATOM 43248 H2 TIP3 5893 11.722 12.721 24.174 1.00 0.00 WT3 H ATOM 43249 OH2 TIP3 5894 0.193 -5.821 -5.566 1.00 0.00 WT3 O ATOM 43250 H1 TIP3 5894 23.189 -26.379 26.850 1.00 0.00 WT3 H ATOM 43251 H2 TIP3 5894 6.990 27.719 13.530 1.00 0.00 WT3 H ATOM 43252 OH2 TIP3 5895 -2.076 5.479 3.113 1.00 0.00 WT3 O ATOM 43253 H1 TIP3 5895 16.372 2.214 11.265 1.00 0.00 WT3 H ATOM 43254 H2 TIP3 5895 -9.692 -12.977 4.064 1.00 0.00 WT3 H ATOM 43255 OH2 TIP3 5898 -0.102 8.806 4.992 1.00 0.00 WT3 O ATOM 43256 H1 TIP3 5898 -4.906 29.130 -6.754 1.00 0.00 WT3 H ATOM 43257 H2 TIP3 5898 5.144 -13.118 11.723 1.00 0.00 WT3 H ATOM 43258 OH2 TIP3 5899 -10.028 -1.359 0.029 1.00 0.00 WT3 O ATOM 43259 H1 TIP3 5899 -6.368 -2.302 3.800 1.00 0.00 WT3 H ATOM 43260 H2 TIP3 5899 -23.787 -6.607 5.119 1.00 0.00 WT3 H ATOM 43261 OH2 TIP3 5900 13.972 -8.095 0.988 1.00 0.00 WT3 O ATOM 43262 H1 TIP3 5900 15.086 -1.541 0.359 1.00 0.00 WT3 H ATOM 43263 H2 TIP3 5900 17.187 -2.835 3.376 1.00 0.00 WT3 H ATOM 43264 OH2 TIP3 5901 -1.254 -2.732 -6.316 1.00 0.00 WT3 O ATOM 43265 H1 TIP3 5901 15.637 7.102 4.186 1.00 0.00 WT3 H ATOM 43266 H2 TIP3 5901 16.768 11.214 -0.271 1.00 0.00 WT3 H ATOM 43267 OH2 TIP3 5902 -3.035 -5.354 2.850 1.00 0.00 WT3 O ATOM 43268 H1 TIP3 5902 -9.851 1.529 -1.727 1.00 0.00 WT3 H ATOM 43269 H2 TIP3 5902 -0.068 -1.970 10.684 1.00 0.00 WT3 H ATOM 43270 OH2 TIP3 5903 -6.959 6.624 -4.602 1.00 0.00 WT3 O ATOM 43271 H1 TIP3 5903 -6.315 13.340 14.847 1.00 0.00 WT3 H ATOM 43272 H2 TIP3 5903 -5.646 1.167 -28.238 1.00 0.00 WT3 H ATOM 43273 OH2 TIP3 5906 -0.633 -7.181 -8.950 1.00 0.00 WT3 O ATOM 43274 H1 TIP3 5906 -5.957 -6.479 -0.741 1.00 0.00 WT3 H ATOM 43275 H2 TIP3 5906 2.781 -7.839 -15.291 1.00 0.00 WT3 H ATOM 43276 OH2 TIP3 5907 -3.439 -6.831 -1.266 1.00 0.00 WT3 O ATOM 43277 H1 TIP3 5907 2.079 -5.654 -0.524 1.00 0.00 WT3 H ATOM 43278 H2 TIP3 5907 4.450 -6.283 9.015 1.00 0.00 WT3 H ATOM 43279 OH2 TIP3 5909 10.384 -2.703 3.819 1.00 0.00 WT3 O ATOM 43280 H1 TIP3 5909 4.896 11.112 2.827 1.00 0.00 WT3 H ATOM 43281 H2 TIP3 5909 5.523 1.118 0.566 1.00 0.00 WT3 H ATOM 43282 OH2 TIP3 5910 1.455 -5.019 0.235 1.00 0.00 WT3 O ATOM 43283 H1 TIP3 5910 8.321 -4.825 3.707 1.00 0.00 WT3 H ATOM 43284 H2 TIP3 5910 8.935 -9.511 23.720 1.00 0.00 WT3 H ATOM 43285 OH2 TIP3 5911 0.624 0.626 -0.847 1.00 0.00 WT3 O ATOM 43286 H1 TIP3 5911 5.814 -9.871 14.429 1.00 0.00 WT3 H ATOM 43287 H2 TIP3 5911 -4.015 11.303 -10.846 1.00 0.00 WT3 H ATOM 43288 OH2 TIP3 5912 1.999 0.168 2.289 1.00 0.00 WT3 O ATOM 43289 H1 TIP3 5912 1.742 2.937 -3.297 1.00 0.00 WT3 H ATOM 43290 H2 TIP3 5912 2.467 -4.051 -0.679 1.00 0.00 WT3 H ATOM 43291 OH2 TIP3 5913 2.639 -0.837 -5.540 1.00 0.00 WT3 O ATOM 43292 H1 TIP3 5913 -10.793 -16.995 16.704 1.00 0.00 WT3 H ATOM 43293 H2 TIP3 5913 5.760 -19.394 10.868 1.00 0.00 WT3 H ATOM 43294 OH2 TIP3 5916 -1.595 0.065 -5.805 1.00 0.00 WT3 O ATOM 43295 H1 TIP3 5916 -5.326 11.058 0.509 1.00 0.00 WT3 H ATOM 43296 H2 TIP3 5916 -12.099 -8.429 -5.133 1.00 0.00 WT3 H ATOM 43297 OH2 TIP3 5917 -7.353 -0.427 2.846 1.00 0.00 WT3 O ATOM 43298 H1 TIP3 5917 18.531 -10.415 1.748 1.00 0.00 WT3 H ATOM 43299 H2 TIP3 5917 -5.352 2.939 -3.260 1.00 0.00 WT3 H ATOM 43300 OH2 TIP3 5918 4.562 0.216 3.277 1.00 0.00 WT3 O ATOM 43301 H1 TIP3 5918 2.045 -4.443 24.563 1.00 0.00 WT3 H ATOM 43302 H2 TIP3 5918 21.937 -5.963 3.282 1.00 0.00 WT3 H ATOM 43303 OH2 TIP3 5919 4.238 2.529 2.336 1.00 0.00 WT3 O ATOM 43304 H1 TIP3 5919 29.859 -9.356 -24.149 1.00 0.00 WT3 H ATOM 43305 H2 TIP3 5919 2.146 0.170 -16.233 1.00 0.00 WT3 H ATOM 43306 OH2 TIP3 5920 5.024 5.048 0.140 1.00 0.00 WT3 O ATOM 43307 H1 TIP3 5920 -9.806 2.812 6.357 1.00 0.00 WT3 H ATOM 43308 H2 TIP3 5920 23.079 6.417 -10.517 1.00 0.00 WT3 H ATOM 43309 OH2 TIP3 5921 2.253 3.726 -2.391 1.00 0.00 WT3 O ATOM 43310 H1 TIP3 5921 5.632 4.694 7.839 1.00 0.00 WT3 H ATOM 43311 H2 TIP3 5921 9.425 -7.295 -15.332 1.00 0.00 WT3 H ATOM 43312 OH2 TIP3 5922 -2.454 -3.221 2.177 1.00 0.00 WT3 O ATOM 43313 H1 TIP3 5922 9.042 0.666 -7.206 1.00 0.00 WT3 H ATOM 43314 H2 TIP3 5922 -10.924 -15.262 0.919 1.00 0.00 WT3 H ATOM 43315 OH2 TIP3 5923 2.300 -2.747 4.183 1.00 0.00 WT3 O ATOM 43316 H1 TIP3 5923 -3.025 -2.854 7.899 1.00 0.00 WT3 H ATOM 43317 H2 TIP3 5923 -39.976 20.677 4.502 1.00 0.00 WT3 H ATOM 43318 OH2 TIP3 5924 -0.334 2.993 1.599 1.00 0.00 WT3 O ATOM 43319 H1 TIP3 5924 -19.468 -40.801 -8.246 1.00 0.00 WT3 H ATOM 43320 H2 TIP3 5924 -12.741 -1.645 9.749 1.00 0.00 WT3 H ATOM 43321 OH2 TIP3 5926 -6.432 8.333 1.792 1.00 0.00 WT3 O ATOM 43322 H1 TIP3 5926 12.126 -1.665 -9.680 1.00 0.00 WT3 H ATOM 43323 H2 TIP3 5926 -2.016 23.268 -6.049 1.00 0.00 WT3 H ATOM 43324 OH2 TIP3 5931 2.715 0.823 -0.695 1.00 0.00 WT3 O ATOM 43325 H1 TIP3 5931 -6.560 7.161 -12.370 1.00 0.00 WT3 H ATOM 43326 H2 TIP3 5931 -12.689 -11.568 -3.335 1.00 0.00 WT3 H ATOM 43327 OH2 TIP3 5932 -3.378 5.293 0.936 1.00 0.00 WT3 O ATOM 43328 H1 TIP3 5932 -19.277 -18.926 -2.313 1.00 0.00 WT3 H ATOM 43329 H2 TIP3 5932 -2.327 -5.662 11.126 1.00 0.00 WT3 H ATOM 43330 OH2 TIP3 5934 -3.003 2.933 -4.570 1.00 0.00 WT3 O ATOM 43331 H1 TIP3 5934 -14.439 8.364 -14.918 1.00 0.00 WT3 H ATOM 43332 H2 TIP3 5934 10.254 -3.007 -17.877 1.00 0.00 WT3 H ATOM 43333 OH2 TIP3 5935 -1.365 -3.264 2.555 1.00 0.00 WT3 O ATOM 43334 H1 TIP3 5935 0.297 -6.745 -1.597 1.00 0.00 WT3 H ATOM 43335 H2 TIP3 5935 21.897 0.841 -17.670 1.00 0.00 WT3 H ATOM 43336 OH2 TIP3 5936 0.006 -3.158 -1.115 1.00 0.00 WT3 O ATOM 43337 H1 TIP3 5936 14.753 9.560 -9.202 1.00 0.00 WT3 H ATOM 43338 H2 TIP3 5936 -5.492 0.593 0.279 1.00 0.00 WT3 H ATOM 43339 OH2 TIP3 5938 -2.622 0.673 5.406 1.00 0.00 WT3 O ATOM 43340 H1 TIP3 5938 -18.340 32.805 4.188 1.00 0.00 WT3 H ATOM 43341 H2 TIP3 5938 -11.971 10.192 -8.241 1.00 0.00 WT3 H ATOM 43342 OH2 TIP3 5939 -2.820 -3.995 -3.036 1.00 0.00 WT3 O ATOM 43343 H1 TIP3 5939 -4.616 -1.725 7.463 1.00 0.00 WT3 H ATOM 43344 H2 TIP3 5939 8.265 -13.428 -22.089 1.00 0.00 WT3 H ATOM 43345 OH2 TIP3 5942 -3.812 6.511 0.700 1.00 0.00 WT3 O ATOM 43346 H1 TIP3 5942 -0.370 -12.231 10.182 1.00 0.00 WT3 H ATOM 43347 H2 TIP3 5942 -4.882 10.225 -4.816 1.00 0.00 WT3 H ATOM 43348 OH2 TIP3 5945 -2.307 -1.961 -4.584 1.00 0.00 WT3 O ATOM 43349 H1 TIP3 5945 12.953 -8.383 -1.726 1.00 0.00 WT3 H ATOM 43350 H2 TIP3 5945 -12.580 -0.044 7.257 1.00 0.00 WT3 H ATOM 43351 OH2 TIP3 5948 -2.155 5.926 -2.675 1.00 0.00 WT3 O ATOM 43352 H1 TIP3 5948 6.569 12.929 9.924 1.00 0.00 WT3 H ATOM 43353 H2 TIP3 5948 -8.811 -5.445 -25.434 1.00 0.00 WT3 H ATOM 43354 OH2 TIP3 5949 -5.795 -3.281 -1.795 1.00 0.00 WT3 O ATOM 43355 H1 TIP3 5949 -4.725 1.210 2.958 1.00 0.00 WT3 H ATOM 43356 H2 TIP3 5949 -2.712 -23.009 -13.325 1.00 0.00 WT3 H ATOM 43357 OH2 TIP3 5951 -4.106 4.686 1.229 1.00 0.00 WT3 O ATOM 43358 H1 TIP3 5951 -4.676 8.631 13.877 1.00 0.00 WT3 H ATOM 43359 H2 TIP3 5951 -13.804 11.639 -4.491 1.00 0.00 WT3 H ATOM 43360 OH2 TIP3 5952 4.006 1.747 1.499 1.00 0.00 WT3 O ATOM 43361 H1 TIP3 5952 21.948 13.490 10.523 1.00 0.00 WT3 H ATOM 43362 H2 TIP3 5952 -2.843 -1.660 4.863 1.00 0.00 WT3 H ATOM 43363 OH2 TIP3 5953 -4.836 6.772 0.236 1.00 0.00 WT3 O ATOM 43364 H1 TIP3 5953 17.908 1.589 13.833 1.00 0.00 WT3 H ATOM 43365 H2 TIP3 5953 -8.118 4.405 1.538 1.00 0.00 WT3 H ATOM 43366 OH2 TIP3 5954 2.599 2.544 7.116 1.00 0.00 WT3 O ATOM 43367 H1 TIP3 5954 17.261 9.343 2.603 1.00 0.00 WT3 H ATOM 43368 H2 TIP3 5954 -5.141 24.846 14.975 1.00 0.00 WT3 H ATOM 43369 OH2 TIP3 5955 -4.024 4.831 1.543 1.00 0.00 WT3 O ATOM 43370 H1 TIP3 5955 -0.108 1.387 -8.616 1.00 0.00 WT3 H ATOM 43371 H2 TIP3 5955 -15.407 -6.761 6.134 1.00 0.00 WT3 H ATOM 43372 OH2 TIP3 5956 6.084 -0.335 2.713 1.00 0.00 WT3 O ATOM 43373 H1 TIP3 5956 0.360 2.365 4.563 1.00 0.00 WT3 H ATOM 43374 H2 TIP3 5956 -6.631 -0.848 4.372 1.00 0.00 WT3 H ATOM 43375 OH2 TIP3 5957 1.131 -1.393 0.297 1.00 0.00 WT3 O ATOM 43376 H1 TIP3 5957 -16.277 -18.525 -5.686 1.00 0.00 WT3 H ATOM 43377 H2 TIP3 5957 15.297 24.923 -11.592 1.00 0.00 WT3 H ATOM 43378 OH2 TIP3 5959 3.293 6.177 -2.397 1.00 0.00 WT3 O ATOM 43379 H1 TIP3 5959 8.899 -6.164 -8.745 1.00 0.00 WT3 H ATOM 43380 H2 TIP3 5959 4.509 4.626 16.239 1.00 0.00 WT3 H ATOM 43381 OH2 TIP3 5965 2.870 1.084 3.345 1.00 0.00 WT3 O ATOM 43382 H1 TIP3 5965 -1.145 2.889 -11.163 1.00 0.00 WT3 H ATOM 43383 H2 TIP3 5965 1.529 0.585 -9.337 1.00 0.00 WT3 H ATOM 43384 OH2 TIP3 5971 5.773 -0.539 -4.797 1.00 0.00 WT3 O ATOM 43385 H1 TIP3 5971 9.559 21.366 -17.070 1.00 0.00 WT3 H ATOM 43386 H2 TIP3 5971 0.579 4.537 23.059 1.00 0.00 WT3 H ATOM 43387 OH2 TIP3 5972 4.663 -1.262 4.768 1.00 0.00 WT3 O ATOM 43388 H1 TIP3 5972 -10.196 1.429 14.043 1.00 0.00 WT3 H ATOM 43389 H2 TIP3 5972 46.974 -26.660 -13.315 1.00 0.00 WT3 H ATOM 43390 OH2 TIP3 5975 -2.049 -0.460 -10.261 1.00 0.00 WT3 O ATOM 43391 H1 TIP3 5975 -6.664 0.279 2.773 1.00 0.00 WT3 H ATOM 43392 H2 TIP3 5975 3.153 -11.299 31.597 1.00 0.00 WT3 H ATOM 43393 OH2 TIP3 5977 4.191 1.478 2.856 1.00 0.00 WT3 O ATOM 43394 H1 TIP3 5977 -14.705 2.812 32.181 1.00 0.00 WT3 H ATOM 43395 H2 TIP3 5977 12.287 -2.349 -12.948 1.00 0.00 WT3 H ATOM 43396 OH2 TIP3 5981 -6.935 3.289 -5.501 1.00 0.00 WT3 O ATOM 43397 H1 TIP3 5981 -4.250 20.011 -10.780 1.00 0.00 WT3 H ATOM 43398 H2 TIP3 5981 -26.447 2.326 10.751 1.00 0.00 WT3 H ATOM 43399 OH2 TIP3 5983 5.192 4.325 3.223 1.00 0.00 WT3 O ATOM 43400 H1 TIP3 5983 -17.309 -15.859 -5.902 1.00 0.00 WT3 H ATOM 43401 H2 TIP3 5983 3.058 -25.297 18.777 1.00 0.00 WT3 H ATOM 43402 OH2 TIP3 5985 -4.425 0.308 0.962 1.00 0.00 WT3 O ATOM 43403 H1 TIP3 5985 0.271 -4.196 6.830 1.00 0.00 WT3 H ATOM 43404 H2 TIP3 5985 5.730 -10.994 9.801 1.00 0.00 WT3 H ATOM 43405 OH2 TIP3 5994 0.677 -5.203 -1.542 1.00 0.00 WT3 O ATOM 43406 H1 TIP3 5994 -13.056 -5.439 2.242 1.00 0.00 WT3 H ATOM 43407 H2 TIP3 5994 4.643 -11.141 -10.343 1.00 0.00 WT3 H ATOM 43408 OH2 TIP3 5996 1.093 -2.317 -4.077 1.00 0.00 WT3 O ATOM 43409 H1 TIP3 5996 1.223 -6.554 -8.481 1.00 0.00 WT3 H ATOM 43410 H2 TIP3 5996 -22.654 -0.564 7.383 1.00 0.00 WT3 H ATOM 43411 OH2 TIP3 6004 -4.758 4.415 -4.416 1.00 0.00 WT3 O ATOM 43412 H1 TIP3 6004 -6.851 6.912 -10.450 1.00 0.00 WT3 H ATOM 43413 H2 TIP3 6004 -7.494 1.082 -1.333 1.00 0.00 WT3 H ATOM 43414 OH2 TIP3 6090 -15.322 3.021 3.698 1.00 0.00 WT3 O ATOM 43415 H1 TIP3 6090 -18.169 7.023 15.010 1.00 0.00 WT3 H ATOM 43416 H2 TIP3 6090 -20.336 9.039 21.327 1.00 0.00 WT3 H ATOM 43417 OH2 TIP3 6091 1.064 -5.041 3.487 1.00 0.00 WT3 O ATOM 43418 H1 TIP3 6091 10.450 9.616 4.796 1.00 0.00 WT3 H ATOM 43419 H2 TIP3 6091 -5.094 -16.299 0.836 1.00 0.00 WT3 H ATOM 43420 OH2 TIP3 6107 1.053 0.349 -4.345 1.00 0.00 WT3 O ATOM 43421 H1 TIP3 6107 1.124 38.693 -21.746 1.00 0.00 WT3 H ATOM 43422 H2 TIP3 6107 7.056 -16.580 -7.248 1.00 0.00 WT3 H ATOM 43423 OH2 TIP3 6110 0.425 6.788 4.001 1.00 0.00 WT3 O ATOM 43424 H1 TIP3 6110 -6.839 -12.865 2.135 1.00 0.00 WT3 H ATOM 43425 H2 TIP3 6110 9.509 22.738 23.020 1.00 0.00 WT3 H ATOM 43426 OH2 TIP3 6126 0.501 0.158 -0.661 1.00 0.00 WT3 O ATOM 43427 H1 TIP3 6126 9.075 -12.251 1.120 1.00 0.00 WT3 H ATOM 43428 H2 TIP3 6126 -5.042 21.090 -6.047 1.00 0.00 WT3 H ATOM 43429 OH2 TIP3 6131 -4.634 -3.554 6.302 1.00 0.00 WT3 O ATOM 43430 H1 TIP3 6131 -16.488 -3.726 1.584 1.00 0.00 WT3 H ATOM 43431 H2 TIP3 6131 -10.927 -4.538 4.556 1.00 0.00 WT3 H ATOM 43432 OH2 TIP3 6134 5.010 -1.507 -0.813 1.00 0.00 WT3 O ATOM 43433 H1 TIP3 6134 5.797 7.081 10.117 1.00 0.00 WT3 H ATOM 43434 H2 TIP3 6134 2.070 6.317 20.316 1.00 0.00 WT3 H ATOM 43435 OH2 TIP3 6136 2.949 -6.003 1.615 1.00 0.00 WT3 O ATOM 43436 H1 TIP3 6136 20.651 23.506 -8.071 1.00 0.00 WT3 H ATOM 43437 H2 TIP3 6136 -9.742 -0.119 7.949 1.00 0.00 WT3 H ATOM 43438 OH2 TIP3 6138 -4.849 2.275 0.928 1.00 0.00 WT3 O ATOM 43439 H1 TIP3 6138 -7.647 5.529 7.425 1.00 0.00 WT3 H ATOM 43440 H2 TIP3 6138 -0.269 -12.402 -7.306 1.00 0.00 WT3 H ATOM 43441 OH2 TIP3 6146 -4.808 2.998 -7.410 1.00 0.00 WT3 O ATOM 43442 H1 TIP3 6146 -3.453 -5.720 -13.145 1.00 0.00 WT3 H ATOM 43443 H2 TIP3 6146 -7.815 9.921 -6.791 1.00 0.00 WT3 H ATOM 43444 OH2 TIP3 6147 3.093 -1.876 -1.604 1.00 0.00 WT3 O ATOM 43445 H1 TIP3 6147 3.742 -10.581 18.694 1.00 0.00 WT3 H ATOM 43446 H2 TIP3 6147 -14.631 7.004 -6.573 1.00 0.00 WT3 H ATOM 43447 OH2 TIP3 6157 6.480 1.238 -2.509 1.00 0.00 WT3 O ATOM 43448 H1 TIP3 6157 9.251 13.012 1.668 1.00 0.00 WT3 H ATOM 43449 H2 TIP3 6157 -1.300 -1.654 -7.820 1.00 0.00 WT3 H ATOM 43450 OH2 TIP3 6158 -3.150 -3.932 -1.043 1.00 0.00 WT3 O ATOM 43451 H1 TIP3 6158 16.926 -18.900 0.550 1.00 0.00 WT3 H ATOM 43452 H2 TIP3 6158 -14.484 13.128 -12.251 1.00 0.00 WT3 H ATOM 43453 OH2 TIP3 6163 2.497 -6.127 -1.650 1.00 0.00 WT3 O ATOM 43454 H1 TIP3 6163 -1.826 -3.036 16.719 1.00 0.00 WT3 H ATOM 43455 H2 TIP3 6163 2.677 -13.306 -9.683 1.00 0.00 WT3 H ATOM 43456 OH2 TIP3 6166 1.623 -0.829 2.020 1.00 0.00 WT3 O ATOM 43457 H1 TIP3 6166 -13.097 -3.394 -7.175 1.00 0.00 WT3 H ATOM 43458 H2 TIP3 6166 -12.585 -10.075 -0.651 1.00 0.00 WT3 H ATOM 43459 OH2 TIP3 6174 -4.592 6.828 -0.303 1.00 0.00 WT3 O ATOM 43460 H1 TIP3 6174 -1.031 -3.826 -10.697 1.00 0.00 WT3 H ATOM 43461 H2 TIP3 6174 -3.718 19.258 -8.976 1.00 0.00 WT3 H ATOM 43462 OH2 TIP3 6176 -1.998 1.642 7.425 1.00 0.00 WT3 O ATOM 43463 H1 TIP3 6176 4.044 -0.887 -2.738 1.00 0.00 WT3 H ATOM 43464 H2 TIP3 6176 -5.038 -0.226 9.395 1.00 0.00 WT3 H ATOM 43465 OH2 TIP3 6177 6.937 -2.014 -3.844 1.00 0.00 WT3 O ATOM 43466 H1 TIP3 6177 -3.099 -4.739 2.418 1.00 0.00 WT3 H ATOM 43467 H2 TIP3 6177 -0.720 19.648 -3.656 1.00 0.00 WT3 H ATOM 43468 OH2 TIP3 6178 -4.770 3.736 -1.707 1.00 0.00 WT3 O ATOM 43469 H1 TIP3 6178 11.395 -3.039 -1.784 1.00 0.00 WT3 H ATOM 43470 H2 TIP3 6178 -6.624 17.465 -7.458 1.00 0.00 WT3 H ATOM 43471 OH2 TIP3 6179 5.554 -2.852 -10.483 1.00 0.00 WT3 O ATOM 43472 H1 TIP3 6179 3.649 -8.970 -15.713 1.00 0.00 WT3 H ATOM 43473 H2 TIP3 6179 14.722 30.193 6.579 1.00 0.00 WT3 H ATOM 43474 OH2 TIP3 6181 -6.359 -2.962 3.354 1.00 0.00 WT3 O ATOM 43475 H1 TIP3 6181 -16.226 -12.307 0.331 1.00 0.00 WT3 H ATOM 43476 H2 TIP3 6181 4.782 -2.117 -14.778 1.00 0.00 WT3 H ATOM 43477 OH2 TIP3 6183 -2.583 0.362 -8.099 1.00 0.00 WT3 O ATOM 43478 H1 TIP3 6183 -5.668 -6.949 -4.431 1.00 0.00 WT3 H ATOM 43479 H2 TIP3 6183 -3.009 5.931 -8.724 1.00 0.00 WT3 H ATOM 43480 OH2 TIP3 6189 -4.793 -0.258 7.150 1.00 0.00 WT3 O ATOM 43481 H1 TIP3 6189 8.135 15.542 -12.449 1.00 0.00 WT3 H ATOM 43482 H2 TIP3 6189 11.038 17.221 -13.984 1.00 0.00 WT3 H ATOM 43483 OH2 TIP3 6192 3.921 8.810 -0.127 1.00 0.00 WT3 O ATOM 43484 H1 TIP3 6192 23.547 17.729 -20.382 1.00 0.00 WT3 H ATOM 43485 H2 TIP3 6192 21.546 12.663 5.647 1.00 0.00 WT3 H ATOM 43486 OH2 TIP3 6194 -0.704 6.066 4.930 1.00 0.00 WT3 O ATOM 43487 H1 TIP3 6194 -22.369 23.566 -3.124 1.00 0.00 WT3 H ATOM 43488 H2 TIP3 6194 -7.405 2.579 2.410 1.00 0.00 WT3 H ATOM 43489 OH2 TIP3 6195 -10.660 -1.192 -2.182 1.00 0.00 WT3 O ATOM 43490 H1 TIP3 6195 3.988 14.631 4.524 1.00 0.00 WT3 H ATOM 43491 H2 TIP3 6195 -15.860 5.294 -24.304 1.00 0.00 WT3 H ATOM 43492 OH2 TIP3 6198 3.531 -2.293 2.136 1.00 0.00 WT3 O ATOM 43493 H1 TIP3 6198 -16.545 15.609 -10.477 1.00 0.00 WT3 H ATOM 43494 H2 TIP3 6198 5.944 -0.136 -1.397 1.00 0.00 WT3 H ATOM 43495 OH2 TIP3 6199 -0.040 -5.587 -2.683 1.00 0.00 WT3 O ATOM 43496 H1 TIP3 6199 -20.056 7.892 -0.876 1.00 0.00 WT3 H ATOM 43497 H2 TIP3 6199 1.655 7.806 -25.161 1.00 0.00 WT3 H ATOM 43498 OH2 TIP3 6200 -2.989 -0.139 -2.875 1.00 0.00 WT3 O ATOM 43499 H1 TIP3 6200 -5.794 7.830 -16.055 1.00 0.00 WT3 H ATOM 43500 H2 TIP3 6200 -2.693 -2.789 11.007 1.00 0.00 WT3 H ATOM 43501 OH2 TIP3 6202 -4.155 -2.476 -0.593 1.00 0.00 WT3 O ATOM 43502 H1 TIP3 6202 -12.603 1.222 -12.571 1.00 0.00 WT3 H ATOM 43503 H2 TIP3 6202 -15.540 -9.183 7.916 1.00 0.00 WT3 H ATOM 43504 OH2 TIP3 6203 1.565 -7.149 2.196 1.00 0.00 WT3 O ATOM 43505 H1 TIP3 6203 10.707 8.282 -17.597 1.00 0.00 WT3 H ATOM 43506 H2 TIP3 6203 -22.470 -5.095 15.556 1.00 0.00 WT3 H ATOM 43507 OH2 TIP3 6205 -0.561 -0.315 -1.068 1.00 0.00 WT3 O ATOM 43508 H1 TIP3 6205 -4.626 -3.196 -9.145 1.00 0.00 WT3 H ATOM 43509 H2 TIP3 6205 8.312 -6.326 0.399 1.00 0.00 WT3 H ATOM 43510 OH2 TIP3 6207 -10.439 -0.586 1.698 1.00 0.00 WT3 O ATOM 43511 H1 TIP3 6207 -3.393 14.016 -0.173 1.00 0.00 WT3 H ATOM 43512 H2 TIP3 6207 -14.690 -15.809 3.072 1.00 0.00 WT3 H ATOM 43513 OH2 TIP3 6212 -1.624 2.293 2.867 1.00 0.00 WT3 O ATOM 43514 H1 TIP3 6212 -13.638 -11.869 4.296 1.00 0.00 WT3 H ATOM 43515 H2 TIP3 6212 -7.987 -7.091 -8.433 1.00 0.00 WT3 H ATOM 43516 OH2 TIP3 6213 5.074 0.126 -2.012 1.00 0.00 WT3 O ATOM 43517 H1 TIP3 6213 3.078 -5.929 4.253 1.00 0.00 WT3 H ATOM 43518 H2 TIP3 6213 -9.220 3.760 -1.850 1.00 0.00 WT3 H ATOM 43519 OH2 TIP3 6214 4.259 5.976 4.362 1.00 0.00 WT3 O ATOM 43520 H1 TIP3 6214 10.992 4.196 35.847 1.00 0.00 WT3 H ATOM 43521 H2 TIP3 6214 5.610 3.038 20.299 1.00 0.00 WT3 H ATOM 43522 OH2 TIP3 6215 -0.538 0.121 2.818 1.00 0.00 WT3 O ATOM 43523 H1 TIP3 6215 -0.688 -6.673 2.278 1.00 0.00 WT3 H ATOM 43524 H2 TIP3 6215 -0.997 -3.004 3.054 1.00 0.00 WT3 H ATOM 43525 OH2 TIP3 6216 -5.408 2.577 -3.843 1.00 0.00 WT3 O ATOM 43526 H1 TIP3 6216 -17.853 -6.593 0.562 1.00 0.00 WT3 H ATOM 43527 H2 TIP3 6216 -12.283 -2.099 -0.540 1.00 0.00 WT3 H ATOM 43528 OH2 TIP3 6217 4.016 1.889 0.607 1.00 0.00 WT3 O ATOM 43529 H1 TIP3 6217 -11.496 -8.411 2.595 1.00 0.00 WT3 H ATOM 43530 H2 TIP3 6217 16.367 14.578 9.852 1.00 0.00 WT3 H ATOM 43531 OH2 TIP3 6218 -8.614 -6.691 0.499 1.00 0.00 WT3 O ATOM 43532 H1 TIP3 6218 -20.707 -0.069 12.280 1.00 0.00 WT3 H ATOM 43533 H2 TIP3 6218 -12.548 6.880 -5.465 1.00 0.00 WT3 H ATOM 43534 OH2 TIP3 6219 3.046 -1.909 -1.917 1.00 0.00 WT3 O ATOM 43535 H1 TIP3 6219 -19.482 7.502 -26.025 1.00 0.00 WT3 H ATOM 43536 H2 TIP3 6219 8.667 -10.401 34.859 1.00 0.00 WT3 H ATOM 43537 OH2 TIP3 6220 -0.401 4.557 1.322 1.00 0.00 WT3 O ATOM 43538 H1 TIP3 6220 13.152 8.677 -4.947 1.00 0.00 WT3 H ATOM 43539 H2 TIP3 6220 -6.948 -3.075 -7.269 1.00 0.00 WT3 H ATOM 43540 OH2 TIP3 6221 -4.507 -2.567 -1.957 1.00 0.00 WT3 O ATOM 43541 H1 TIP3 6221 -9.956 -11.149 0.147 1.00 0.00 WT3 H ATOM 43542 H2 TIP3 6221 2.065 -2.079 5.896 1.00 0.00 WT3 H ATOM 43543 OH2 TIP3 6223 -1.485 1.032 8.065 1.00 0.00 WT3 O ATOM 43544 H1 TIP3 6223 15.465 1.904 4.766 1.00 0.00 WT3 H ATOM 43545 H2 TIP3 6223 9.346 8.902 -18.310 1.00 0.00 WT3 H ATOM 43546 OH2 TIP3 6224 -4.443 -4.289 -0.373 1.00 0.00 WT3 O ATOM 43547 H1 TIP3 6224 11.966 5.416 7.406 1.00 0.00 WT3 H ATOM 43548 H2 TIP3 6224 -18.206 -2.918 14.660 1.00 0.00 WT3 H ATOM 43549 OH2 TIP3 6225 0.462 -1.307 -1.561 1.00 0.00 WT3 O ATOM 43550 H1 TIP3 6225 -16.348 -36.931 1.632 1.00 0.00 WT3 H ATOM 43551 H2 TIP3 6225 3.874 18.413 -15.153 1.00 0.00 WT3 H ATOM 43552 OH2 TIP3 6227 -5.677 -3.396 4.459 1.00 0.00 WT3 O ATOM 43553 H1 TIP3 6227 -6.872 -6.638 -1.141 1.00 0.00 WT3 H ATOM 43554 H2 TIP3 6227 -21.221 2.242 16.344 1.00 0.00 WT3 H ATOM 43555 OH2 TIP3 6230 2.381 0.135 -2.270 1.00 0.00 WT3 O ATOM 43556 H1 TIP3 6230 -4.813 12.633 -9.334 1.00 0.00 WT3 H ATOM 43557 H2 TIP3 6230 3.586 -5.392 -3.028 1.00 0.00 WT3 H ATOM 43558 OH2 TIP3 6231 -4.014 1.398 -2.169 1.00 0.00 WT3 O ATOM 43559 H1 TIP3 6231 16.761 -10.065 -14.205 1.00 0.00 WT3 H ATOM 43560 H2 TIP3 6231 1.687 -14.099 20.005 1.00 0.00 WT3 H ATOM 43561 OH2 TIP3 6232 -3.147 -1.835 -1.554 1.00 0.00 WT3 O ATOM 43562 H1 TIP3 6232 2.531 2.631 3.564 1.00 0.00 WT3 H ATOM 43563 H2 TIP3 6232 -8.529 3.038 -0.749 1.00 0.00 WT3 H ATOM 43564 OH2 TIP3 6233 0.117 3.208 5.060 1.00 0.00 WT3 O ATOM 43565 H1 TIP3 6233 -37.155 -19.881 6.234 1.00 0.00 WT3 H ATOM 43566 H2 TIP3 6233 1.922 -6.806 9.982 1.00 0.00 WT3 H ATOM 43567 OH2 TIP3 6235 2.999 -1.403 2.169 1.00 0.00 WT3 O ATOM 43568 H1 TIP3 6235 -7.061 14.679 -15.201 1.00 0.00 WT3 H ATOM 43569 H2 TIP3 6235 -8.435 -7.822 -3.358 1.00 0.00 WT3 H ATOM 43570 OH2 TIP3 6236 3.540 1.543 0.104 1.00 0.00 WT3 O ATOM 43571 H1 TIP3 6236 18.440 -13.909 -17.568 1.00 0.00 WT3 H ATOM 43572 H2 TIP3 6236 3.794 -1.441 9.324 1.00 0.00 WT3 H ATOM 43573 OH2 TIP3 6237 1.826 2.554 -4.380 1.00 0.00 WT3 O ATOM 43574 H1 TIP3 6237 -6.003 8.053 -12.718 1.00 0.00 WT3 H ATOM 43575 H2 TIP3 6237 1.579 2.891 -4.617 1.00 0.00 WT3 H ATOM 43576 OH2 TIP3 6238 4.039 5.685 1.235 1.00 0.00 WT3 O ATOM 43577 H1 TIP3 6238 -0.230 2.194 17.185 1.00 0.00 WT3 H ATOM 43578 H2 TIP3 6238 6.256 11.624 10.922 1.00 0.00 WT3 H ATOM 43579 OH2 TIP3 6240 -3.740 -5.688 4.000 1.00 0.00 WT3 O ATOM 43580 H1 TIP3 6240 4.500 5.413 -9.270 1.00 0.00 WT3 H ATOM 43581 H2 TIP3 6240 -16.863 6.390 12.321 1.00 0.00 WT3 H ATOM 43582 OH2 TIP3 6241 -5.057 -4.187 -6.269 1.00 0.00 WT3 O ATOM 43583 H1 TIP3 6241 24.054 -3.015 -12.138 1.00 0.00 WT3 H ATOM 43584 H2 TIP3 6241 -14.815 17.418 27.042 1.00 0.00 WT3 H ATOM 43585 OH2 TIP3 6242 -6.858 -1.856 3.934 1.00 0.00 WT3 O ATOM 43586 H1 TIP3 6242 -7.242 -3.135 17.238 1.00 0.00 WT3 H ATOM 43587 H2 TIP3 6242 13.857 7.067 13.762 1.00 0.00 WT3 H ATOM 43588 OH2 TIP3 6243 -1.666 0.715 -0.285 1.00 0.00 WT3 O ATOM 43589 H1 TIP3 6243 -2.961 29.216 -18.393 1.00 0.00 WT3 H ATOM 43590 H2 TIP3 6243 -6.913 6.833 14.968 1.00 0.00 WT3 H ATOM 43591 OH2 TIP3 6245 -2.293 1.108 -1.759 1.00 0.00 WT3 O ATOM 43592 H1 TIP3 6245 -2.990 15.475 -23.689 1.00 0.00 WT3 H ATOM 43593 H2 TIP3 6245 -2.371 -11.338 11.084 1.00 0.00 WT3 H ATOM 43594 OH2 TIP3 6246 -1.220 1.921 -4.390 1.00 0.00 WT3 O ATOM 43595 H1 TIP3 6246 -1.246 -2.733 -0.637 1.00 0.00 WT3 H ATOM 43596 H2 TIP3 6246 3.613 0.482 -6.579 1.00 0.00 WT3 H ATOM 43597 OH2 TIP3 6247 -0.168 3.301 -0.722 1.00 0.00 WT3 O ATOM 43598 H1 TIP3 6247 16.363 -5.460 -1.171 1.00 0.00 WT3 H ATOM 43599 H2 TIP3 6247 -1.207 -17.558 -2.252 1.00 0.00 WT3 H ATOM 43600 OH2 TIP3 6248 -1.790 -6.988 -1.812 1.00 0.00 WT3 O ATOM 43601 H1 TIP3 6248 18.124 -17.635 21.460 1.00 0.00 WT3 H ATOM 43602 H2 TIP3 6248 -1.861 -8.204 0.304 1.00 0.00 WT3 H ATOM 43603 OH2 TIP3 6249 0.638 -6.646 -1.166 1.00 0.00 WT3 O ATOM 43604 H1 TIP3 6249 0.317 -9.908 7.688 1.00 0.00 WT3 H ATOM 43605 H2 TIP3 6249 -7.924 -10.508 13.704 1.00 0.00 WT3 H ATOM 43606 OH2 TIP3 6250 -1.800 -8.202 1.865 1.00 0.00 WT3 O ATOM 43607 H1 TIP3 6250 17.934 1.304 7.677 1.00 0.00 WT3 H ATOM 43608 H2 TIP3 6250 -1.054 -8.527 2.056 1.00 0.00 WT3 H ATOM 43609 OH2 TIP3 6251 4.970 1.936 3.819 1.00 0.00 WT3 O ATOM 43610 H1 TIP3 6251 8.998 0.867 26.043 1.00 0.00 WT3 H ATOM 43611 H2 TIP3 6251 0.390 1.921 -0.019 1.00 0.00 WT3 H ATOM 43612 OH2 TIP3 6253 -3.154 -1.450 0.507 1.00 0.00 WT3 O ATOM 43613 H1 TIP3 6253 -0.251 3.434 3.213 1.00 0.00 WT3 H ATOM 43614 H2 TIP3 6253 1.934 8.511 -3.446 1.00 0.00 WT3 H ATOM 43615 OH2 TIP3 6254 -0.467 -0.207 0.161 1.00 0.00 WT3 O ATOM 43616 H1 TIP3 6254 4.252 18.377 -9.967 1.00 0.00 WT3 H ATOM 43617 H2 TIP3 6254 1.209 4.482 -2.301 1.00 0.00 WT3 H ATOM 43618 OH2 TIP3 6255 -3.925 2.475 3.028 1.00 0.00 WT3 O ATOM 43619 H1 TIP3 6255 12.347 -12.462 10.040 1.00 0.00 WT3 H ATOM 43620 H2 TIP3 6255 5.512 0.558 -1.803 1.00 0.00 WT3 H ATOM 43621 OH2 TIP3 6256 1.770 -2.299 1.361 1.00 0.00 WT3 O ATOM 43622 H1 TIP3 6256 -5.951 -5.641 15.474 1.00 0.00 WT3 H ATOM 43623 H2 TIP3 6256 10.803 -7.690 5.694 1.00 0.00 WT3 H ATOM 43624 OH2 TIP3 6257 -2.551 -0.960 3.568 1.00 0.00 WT3 O ATOM 43625 H1 TIP3 6257 -11.486 -1.088 8.419 1.00 0.00 WT3 H ATOM 43626 H2 TIP3 6257 36.365 -3.004 -5.095 1.00 0.00 WT3 H ATOM 43627 OH2 TIP3 6258 1.225 -0.179 -1.934 1.00 0.00 WT3 O ATOM 43628 H1 TIP3 6258 -7.739 -16.926 -22.347 1.00 0.00 WT3 H ATOM 43629 H2 TIP3 6258 8.302 4.632 -4.745 1.00 0.00 WT3 H ATOM 43630 OH2 TIP3 6260 -4.065 5.049 -0.721 1.00 0.00 WT3 O ATOM 43631 H1 TIP3 6260 0.830 3.570 4.660 1.00 0.00 WT3 H ATOM 43632 H2 TIP3 6260 -16.684 -6.668 -0.899 1.00 0.00 WT3 H ATOM 43633 OH2 TIP3 6261 -1.730 -2.440 1.907 1.00 0.00 WT3 O ATOM 43634 H1 TIP3 6261 -10.175 8.514 -17.353 1.00 0.00 WT3 H ATOM 43635 H2 TIP3 6261 1.699 -19.743 -10.872 1.00 0.00 WT3 H ATOM 43636 OH2 TIP3 6263 -0.828 0.214 -4.253 1.00 0.00 WT3 O ATOM 43637 H1 TIP3 6263 5.417 -0.488 8.708 1.00 0.00 WT3 H ATOM 43638 H2 TIP3 6263 -10.210 11.388 -4.356 1.00 0.00 WT3 H ATOM 43639 OH2 TIP3 6264 3.528 3.753 -1.816 1.00 0.00 WT3 O ATOM 43640 H1 TIP3 6264 -5.191 17.332 2.732 1.00 0.00 WT3 H ATOM 43641 H2 TIP3 6264 3.867 2.432 -1.220 1.00 0.00 WT3 H ATOM 43642 OH2 TIP3 6266 3.733 -2.255 -5.913 1.00 0.00 WT3 O ATOM 43643 H1 TIP3 6266 26.859 1.919 -24.152 1.00 0.00 WT3 H ATOM 43644 H2 TIP3 6266 7.259 14.975 35.646 1.00 0.00 WT3 H ATOM 43645 OH2 TIP3 6268 -2.587 -0.122 4.380 1.00 0.00 WT3 O ATOM 43646 H1 TIP3 6268 2.532 5.166 -2.789 1.00 0.00 WT3 H ATOM 43647 H2 TIP3 6268 -1.437 2.355 0.976 1.00 0.00 WT3 H ATOM 43648 OH2 TIP3 6269 1.623 -1.167 -10.252 1.00 0.00 WT3 O ATOM 43649 H1 TIP3 6269 12.443 -26.343 -7.787 1.00 0.00 WT3 H ATOM 43650 H2 TIP3 6269 15.385 20.428 7.528 1.00 0.00 WT3 H ATOM 43651 OH2 TIP3 6270 2.513 0.750 0.570 1.00 0.00 WT3 O ATOM 43652 H1 TIP3 6270 -7.084 -29.429 -2.873 1.00 0.00 WT3 H ATOM 43653 H2 TIP3 6270 7.165 38.716 11.717 1.00 0.00 WT3 H ATOM 43654 OH2 TIP3 6271 2.600 -2.913 4.582 1.00 0.00 WT3 O ATOM 43655 H1 TIP3 6271 -2.120 23.876 9.870 1.00 0.00 WT3 H ATOM 43656 H2 TIP3 6271 0.836 -15.792 12.474 1.00 0.00 WT3 H ATOM 43657 OH2 TIP3 6272 0.847 4.199 -1.534 1.00 0.00 WT3 O ATOM 43658 H1 TIP3 6272 -0.693 11.859 -2.152 1.00 0.00 WT3 H ATOM 43659 H2 TIP3 6272 6.925 0.068 -1.329 1.00 0.00 WT3 H ATOM 43660 OH2 TIP3 6273 1.820 3.105 -2.208 1.00 0.00 WT3 O ATOM 43661 H1 TIP3 6273 3.921 4.913 4.078 1.00 0.00 WT3 H ATOM 43662 H2 TIP3 6273 -8.336 -17.017 -10.451 1.00 0.00 WT3 H ATOM 43663 OH2 TIP3 6274 0.682 2.185 0.967 1.00 0.00 WT3 O ATOM 43664 H1 TIP3 6274 -8.081 -1.938 -8.149 1.00 0.00 WT3 H ATOM 43665 H2 TIP3 6274 -14.327 -4.176 -7.156 1.00 0.00 WT3 H ATOM 43666 OH2 TIP3 6275 3.774 0.730 2.811 1.00 0.00 WT3 O ATOM 43667 H1 TIP3 6275 16.593 2.208 12.096 1.00 0.00 WT3 H ATOM 43668 H2 TIP3 6275 15.488 6.426 3.246 1.00 0.00 WT3 H ATOM 43669 OH2 TIP3 6276 -3.620 -1.576 -2.543 1.00 0.00 WT3 O ATOM 43670 H1 TIP3 6276 5.404 -22.553 -6.443 1.00 0.00 WT3 H ATOM 43671 H2 TIP3 6276 0.833 -5.741 -4.481 1.00 0.00 WT3 H ATOM 43672 OH2 TIP3 6277 4.324 -6.169 -0.160 1.00 0.00 WT3 O ATOM 43673 H1 TIP3 6277 6.695 -5.999 -2.017 1.00 0.00 WT3 H ATOM 43674 H2 TIP3 6277 -13.486 -4.963 15.423 1.00 0.00 WT3 H ATOM 43675 OH2 TIP3 6278 0.589 3.327 -5.343 1.00 0.00 WT3 O ATOM 43676 H1 TIP3 6278 -0.663 7.493 -20.011 1.00 0.00 WT3 H ATOM 43677 H2 TIP3 6278 -0.214 4.436 -7.688 1.00 0.00 WT3 H ATOM 43678 OH2 TIP3 6279 -0.037 4.558 -0.501 1.00 0.00 WT3 O ATOM 43679 H1 TIP3 6279 -7.539 -3.511 33.570 1.00 0.00 WT3 H ATOM 43680 H2 TIP3 6279 -3.874 -1.450 -14.718 1.00 0.00 WT3 H ATOM 43681 OH2 TIP3 6280 -0.438 -2.019 -2.503 1.00 0.00 WT3 O ATOM 43682 H1 TIP3 6280 -4.055 0.265 -8.442 1.00 0.00 WT3 H ATOM 43683 H2 TIP3 6280 -14.231 -9.267 10.842 1.00 0.00 WT3 H ATOM 43684 OH2 TIP3 6281 -6.060 2.283 -0.117 1.00 0.00 WT3 O ATOM 43685 H1 TIP3 6281 -4.824 -7.585 -1.060 1.00 0.00 WT3 H ATOM 43686 H2 TIP3 6281 -5.074 7.161 3.198 1.00 0.00 WT3 H ATOM 43687 OH2 TIP3 6282 -11.991 4.310 -3.126 1.00 0.00 WT3 O ATOM 43688 H1 TIP3 6282 -2.600 -12.898 -19.803 1.00 0.00 WT3 H ATOM 43689 H2 TIP3 6282 -26.828 -8.690 -4.078 1.00 0.00 WT3 H ATOM 43690 OH2 TIP3 6283 -0.792 11.492 -3.543 1.00 0.00 WT3 O ATOM 43691 H1 TIP3 6283 -3.342 8.265 -23.669 1.00 0.00 WT3 H ATOM 43692 H2 TIP3 6283 1.724 0.896 -7.719 1.00 0.00 WT3 H ATOM 43693 OH2 TIP3 6284 -2.393 5.884 -4.712 1.00 0.00 WT3 O ATOM 43694 H1 TIP3 6284 17.959 19.543 12.149 1.00 0.00 WT3 H ATOM 43695 H2 TIP3 6284 -17.128 6.051 11.027 1.00 0.00 WT3 H ATOM 43696 OH2 TIP3 6285 -3.998 2.328 7.944 1.00 0.00 WT3 O ATOM 43697 H1 TIP3 6285 -3.663 4.335 18.967 1.00 0.00 WT3 H ATOM 43698 H2 TIP3 6285 10.615 -8.126 22.625 1.00 0.00 WT3 H ATOM 43699 OH2 TIP3 6286 -2.021 4.021 -1.742 1.00 0.00 WT3 O ATOM 43700 H1 TIP3 6286 1.664 -17.121 27.978 1.00 0.00 WT3 H ATOM 43701 H2 TIP3 6286 2.013 -2.134 6.157 1.00 0.00 WT3 H ATOM 43702 OH2 TIP3 6287 -1.838 2.947 2.640 1.00 0.00 WT3 O ATOM 43703 H1 TIP3 6287 -4.393 20.424 -22.542 1.00 0.00 WT3 H ATOM 43704 H2 TIP3 6287 -0.304 2.249 5.247 1.00 0.00 WT3 H ATOM 43705 OH2 TIP3 6288 -1.712 1.988 6.709 1.00 0.00 WT3 O ATOM 43706 H1 TIP3 6288 10.374 7.745 -19.189 1.00 0.00 WT3 H ATOM 43707 H2 TIP3 6288 11.397 0.842 -8.366 1.00 0.00 WT3 H ATOM 43708 OH2 TIP3 6289 -6.394 -3.965 -1.055 1.00 0.00 WT3 O ATOM 43709 H1 TIP3 6289 -8.947 -2.300 -13.174 1.00 0.00 WT3 H ATOM 43710 H2 TIP3 6289 -8.847 4.289 3.995 1.00 0.00 WT3 H ATOM 43711 OH2 TIP3 6290 -1.885 3.366 -0.154 1.00 0.00 WT3 O ATOM 43712 H1 TIP3 6290 3.150 8.882 -7.796 1.00 0.00 WT3 H ATOM 43713 H2 TIP3 6290 -3.081 -16.010 9.169 1.00 0.00 WT3 H ATOM 43714 OH2 TIP3 6292 -4.478 4.273 -0.996 1.00 0.00 WT3 O ATOM 43715 H1 TIP3 6292 -9.196 17.934 0.005 1.00 0.00 WT3 H ATOM 43716 H2 TIP3 6292 5.815 19.043 29.019 1.00 0.00 WT3 H ATOM 43717 OH2 TIP3 6295 1.619 -3.968 -4.603 1.00 0.00 WT3 O ATOM 43718 H1 TIP3 6295 5.121 -11.154 6.301 1.00 0.00 WT3 H ATOM 43719 H2 TIP3 6295 -7.562 12.000 3.744 1.00 0.00 WT3 H ATOM 43720 OH2 TIP3 6296 0.759 -8.231 -3.343 1.00 0.00 WT3 O ATOM 43721 H1 TIP3 6296 -12.188 -6.227 2.334 1.00 0.00 WT3 H ATOM 43722 H2 TIP3 6296 -17.112 -3.323 -9.744 1.00 0.00 WT3 H ATOM 43723 OH2 TIP3 6297 7.880 1.912 1.334 1.00 0.00 WT3 O ATOM 43724 H1 TIP3 6297 21.097 -0.787 -3.706 1.00 0.00 WT3 H ATOM 43725 H2 TIP3 6297 8.999 2.853 0.500 1.00 0.00 WT3 H ATOM 43726 OH2 TIP3 6298 -5.125 5.058 2.002 1.00 0.00 WT3 O ATOM 43727 H1 TIP3 6298 -9.057 8.733 -18.798 1.00 0.00 WT3 H ATOM 43728 H2 TIP3 6298 28.325 30.533 -19.821 1.00 0.00 WT3 H ATOM 43729 OH2 TIP3 6299 2.967 -1.552 -1.896 1.00 0.00 WT3 O ATOM 43730 H1 TIP3 6299 19.144 -1.226 -6.253 1.00 0.00 WT3 H ATOM 43731 H2 TIP3 6299 18.334 -0.828 13.614 1.00 0.00 WT3 H ATOM 43732 OH2 TIP3 6300 2.329 1.318 3.528 1.00 0.00 WT3 O ATOM 43733 H1 TIP3 6300 -8.567 -10.941 -3.786 1.00 0.00 WT3 H ATOM 43734 H2 TIP3 6300 -7.090 7.586 17.568 1.00 0.00 WT3 H ATOM 43735 OH2 TIP3 6301 3.592 6.273 -8.466 1.00 0.00 WT3 O ATOM 43736 H1 TIP3 6301 9.018 5.642 -13.116 1.00 0.00 WT3 H ATOM 43737 H2 TIP3 6301 19.324 4.848 -20.638 1.00 0.00 WT3 H ATOM 43738 OH2 TIP3 6303 -0.126 3.192 4.951 1.00 0.00 WT3 O ATOM 43739 H1 TIP3 6303 4.326 -0.527 13.728 1.00 0.00 WT3 H ATOM 43740 H2 TIP3 6303 -31.601 -15.265 24.620 1.00 0.00 WT3 H ATOM 43741 OH2 TIP3 6304 2.388 0.512 2.678 1.00 0.00 WT3 O ATOM 43742 H1 TIP3 6304 -1.503 6.987 -0.247 1.00 0.00 WT3 H ATOM 43743 H2 TIP3 6304 -1.673 -1.457 -2.124 1.00 0.00 WT3 H ATOM 43744 OH2 TIP3 6305 7.377 6.064 -2.465 1.00 0.00 WT3 O ATOM 43745 H1 TIP3 6305 -1.106 16.278 18.405 1.00 0.00 WT3 H ATOM 43746 H2 TIP3 6305 3.132 27.635 -7.981 1.00 0.00 WT3 H ATOM 43747 OH2 TIP3 6307 6.576 5.113 1.090 1.00 0.00 WT3 O ATOM 43748 H1 TIP3 6307 -17.075 -14.628 -7.774 1.00 0.00 WT3 H ATOM 43749 H2 TIP3 6307 -13.991 -12.284 -6.769 1.00 0.00 WT3 H ATOM 43750 OH2 TIP3 6308 7.128 -1.255 -5.068 1.00 0.00 WT3 O ATOM 43751 H1 TIP3 6308 16.963 0.564 3.331 1.00 0.00 WT3 H ATOM 43752 H2 TIP3 6308 7.736 -0.998 -9.074 1.00 0.00 WT3 H ATOM 43753 OH2 TIP3 6309 -7.536 1.392 7.058 1.00 0.00 WT3 O ATOM 43754 H1 TIP3 6309 -10.268 1.938 -8.624 1.00 0.00 WT3 H ATOM 43755 H2 TIP3 6309 -17.151 15.896 10.274 1.00 0.00 WT3 H ATOM 43756 OH2 TIP3 6311 2.806 -3.895 -0.995 1.00 0.00 WT3 O ATOM 43757 H1 TIP3 6311 -3.744 -7.273 14.000 1.00 0.00 WT3 H ATOM 43758 H2 TIP3 6311 3.408 -5.817 -0.715 1.00 0.00 WT3 H ATOM 43759 OH2 TIP3 6312 -5.907 0.158 2.204 1.00 0.00 WT3 O ATOM 43760 H1 TIP3 6312 10.640 -24.202 -14.929 1.00 0.00 WT3 H ATOM 43761 H2 TIP3 6312 11.877 -28.271 -7.649 1.00 0.00 WT3 H ATOM 43762 OH2 TIP3 6313 -1.141 1.042 -8.415 1.00 0.00 WT3 O ATOM 43763 H1 TIP3 6313 2.498 8.154 -12.561 1.00 0.00 WT3 H ATOM 43764 H2 TIP3 6313 -2.769 22.586 -16.212 1.00 0.00 WT3 H ATOM 43765 OH2 TIP3 6317 -1.672 0.202 -6.628 1.00 0.00 WT3 O ATOM 43766 H1 TIP3 6317 -28.235 2.187 12.614 1.00 0.00 WT3 H ATOM 43767 H2 TIP3 6317 6.344 9.144 -3.800 1.00 0.00 WT3 H ATOM 43768 OH2 TIP3 6318 0.763 2.537 0.164 1.00 0.00 WT3 O ATOM 43769 H1 TIP3 6318 17.651 -1.094 14.792 1.00 0.00 WT3 H ATOM 43770 H2 TIP3 6318 -8.398 -4.413 0.198 1.00 0.00 WT3 H ATOM 43771 OH2 TIP3 6319 1.172 -0.155 -1.061 1.00 0.00 WT3 O ATOM 43772 H1 TIP3 6319 -3.071 -8.508 4.296 1.00 0.00 WT3 H ATOM 43773 H2 TIP3 6319 36.886 8.023 8.786 1.00 0.00 WT3 H ATOM 43774 OH2 TIP3 6320 1.816 -5.822 -2.376 1.00 0.00 WT3 O ATOM 43775 H1 TIP3 6320 2.581 -4.562 -0.543 1.00 0.00 WT3 H ATOM 43776 H2 TIP3 6320 -1.517 -5.585 -4.566 1.00 0.00 WT3 H ATOM 43777 OH2 TIP3 6321 -3.276 -4.512 1.854 1.00 0.00 WT3 O ATOM 43778 H1 TIP3 6321 7.606 -3.676 19.660 1.00 0.00 WT3 H ATOM 43779 H2 TIP3 6321 -0.056 -5.623 5.662 1.00 0.00 WT3 H ATOM 43780 OH2 TIP3 6323 1.147 4.687 3.242 1.00 0.00 WT3 O ATOM 43781 H1 TIP3 6323 -6.422 -25.365 -14.901 1.00 0.00 WT3 H ATOM 43782 H2 TIP3 6323 10.704 -2.971 -1.719 1.00 0.00 WT3 H ATOM 43783 OH2 TIP3 6325 -0.567 -3.108 5.110 1.00 0.00 WT3 O ATOM 43784 H1 TIP3 6325 5.854 6.930 11.810 1.00 0.00 WT3 H ATOM 43785 H2 TIP3 6325 5.253 13.699 14.185 1.00 0.00 WT3 H ATOM 43786 OH2 TIP3 6327 -5.368 4.710 3.862 1.00 0.00 WT3 O ATOM 43787 H1 TIP3 6327 -9.514 -11.379 12.676 1.00 0.00 WT3 H ATOM 43788 H2 TIP3 6327 -9.247 7.081 -12.332 1.00 0.00 WT3 H ATOM 43789 OH2 TIP3 6328 1.308 -5.661 -0.773 1.00 0.00 WT3 O ATOM 43790 H1 TIP3 6328 -10.601 -22.930 1.800 1.00 0.00 WT3 H ATOM 43791 H2 TIP3 6328 11.887 -6.510 -19.033 1.00 0.00 WT3 H ATOM 43792 OH2 TIP3 6329 6.167 2.711 -3.731 1.00 0.00 WT3 O ATOM 43793 H1 TIP3 6329 4.427 -5.380 -11.630 1.00 0.00 WT3 H ATOM 43794 H2 TIP3 6329 8.849 13.986 -4.488 1.00 0.00 WT3 H ATOM 43795 OH2 TIP3 6330 -2.745 7.631 -2.579 1.00 0.00 WT3 O ATOM 43796 H1 TIP3 6330 4.874 5.473 -2.631 1.00 0.00 WT3 H ATOM 43797 H2 TIP3 6330 4.055 6.742 -5.180 1.00 0.00 WT3 H ATOM 43798 OH2 TIP3 6331 -0.710 1.227 0.284 1.00 0.00 WT3 O ATOM 43799 H1 TIP3 6331 7.796 -9.447 -8.130 1.00 0.00 WT3 H ATOM 43800 H2 TIP3 6331 -16.558 -4.864 -15.018 1.00 0.00 WT3 H ATOM 43801 OH2 TIP3 6332 -2.506 1.915 -4.663 1.00 0.00 WT3 O ATOM 43802 H1 TIP3 6332 -3.858 5.725 -1.650 1.00 0.00 WT3 H ATOM 43803 H2 TIP3 6332 -3.154 0.656 -7.317 1.00 0.00 WT3 H ATOM 43804 OH2 TIP3 6333 -2.086 2.572 1.673 1.00 0.00 WT3 O ATOM 43805 H1 TIP3 6333 -39.760 6.667 10.613 1.00 0.00 WT3 H ATOM 43806 H2 TIP3 6333 -4.065 4.890 5.373 1.00 0.00 WT3 H ATOM 43807 OH2 TIP3 6335 -1.159 -0.053 -2.061 1.00 0.00 WT3 O ATOM 43808 H1 TIP3 6335 -0.489 -16.560 3.337 1.00 0.00 WT3 H ATOM 43809 H2 TIP3 6335 8.093 -13.003 -5.871 1.00 0.00 WT3 H ATOM 43810 OH2 TIP3 6337 -0.056 0.119 -7.301 1.00 0.00 WT3 O ATOM 43811 H1 TIP3 6337 -1.423 12.447 -11.309 1.00 0.00 WT3 H ATOM 43812 H2 TIP3 6337 -5.439 -6.088 -20.496 1.00 0.00 WT3 H ATOM 43813 OH2 TIP3 6339 2.692 -6.320 -0.969 1.00 0.00 WT3 O ATOM 43814 H1 TIP3 6339 -5.722 13.892 8.091 1.00 0.00 WT3 H ATOM 43815 H2 TIP3 6339 5.912 -7.706 5.378 1.00 0.00 WT3 H ATOM 43816 OH2 TIP3 6340 -1.996 3.256 1.206 1.00 0.00 WT3 O ATOM 43817 H1 TIP3 6340 -15.863 -7.861 17.802 1.00 0.00 WT3 H ATOM 43818 H2 TIP3 6340 -17.848 23.317 22.034 1.00 0.00 WT3 H ATOM 43819 OH2 TIP3 6342 -3.302 -5.002 -5.814 1.00 0.00 WT3 O ATOM 43820 H1 TIP3 6342 -23.245 12.273 -19.236 1.00 0.00 WT3 H ATOM 43821 H2 TIP3 6342 22.736 1.478 -7.260 1.00 0.00 WT3 H ATOM 43822 OH2 TIP3 6344 -0.409 2.041 -3.797 1.00 0.00 WT3 O ATOM 43823 H1 TIP3 6344 -11.803 -21.159 -8.775 1.00 0.00 WT3 H ATOM 43824 H2 TIP3 6344 8.247 3.927 -16.244 1.00 0.00 WT3 H ATOM 43825 OH2 TIP3 6345 4.568 5.483 5.626 1.00 0.00 WT3 O ATOM 43826 H1 TIP3 6345 -4.478 -4.223 7.977 1.00 0.00 WT3 H ATOM 43827 H2 TIP3 6345 20.907 16.157 -7.540 1.00 0.00 WT3 H ATOM 43828 OH2 TIP3 6346 3.083 0.119 -8.282 1.00 0.00 WT3 O ATOM 43829 H1 TIP3 6346 4.393 -4.301 3.095 1.00 0.00 WT3 H ATOM 43830 H2 TIP3 6346 -15.439 7.637 -9.431 1.00 0.00 WT3 H ATOM 43831 OH2 TIP3 6347 -2.121 5.831 1.361 1.00 0.00 WT3 O ATOM 43832 H1 TIP3 6347 -1.797 19.263 5.890 1.00 0.00 WT3 H ATOM 43833 H2 TIP3 6347 -7.458 -10.124 11.087 1.00 0.00 WT3 H ATOM 43834 OH2 TIP3 6348 -0.904 -1.113 -2.054 1.00 0.00 WT3 O ATOM 43835 H1 TIP3 6348 -8.123 23.631 -14.985 1.00 0.00 WT3 H ATOM 43836 H2 TIP3 6348 1.574 -16.300 4.000 1.00 0.00 WT3 H ATOM 43837 OH2 TIP3 6349 0.206 -5.018 -3.638 1.00 0.00 WT3 O ATOM 43838 H1 TIP3 6349 19.072 -16.952 -4.768 1.00 0.00 WT3 H ATOM 43839 H2 TIP3 6349 5.488 -9.957 19.826 1.00 0.00 WT3 H ATOM 43840 OH2 TIP3 6351 4.519 -1.165 -0.097 1.00 0.00 WT3 O ATOM 43841 H1 TIP3 6351 2.461 -1.858 0.427 1.00 0.00 WT3 H ATOM 43842 H2 TIP3 6351 7.144 -5.432 -0.734 1.00 0.00 WT3 H ATOM 43843 OH2 TIP3 6353 -4.325 -1.772 4.013 1.00 0.00 WT3 O ATOM 43844 H1 TIP3 6353 0.713 -1.837 5.974 1.00 0.00 WT3 H ATOM 43845 H2 TIP3 6353 7.745 -6.119 2.025 1.00 0.00 WT3 H ATOM 43846 OH2 TIP3 6356 -4.871 7.118 -5.215 1.00 0.00 WT3 O ATOM 43847 H1 TIP3 6356 4.750 6.251 -2.348 1.00 0.00 WT3 H ATOM 43848 H2 TIP3 6356 20.476 5.030 2.867 1.00 0.00 WT3 H ATOM 43849 OH2 TIP3 6357 -0.341 3.228 1.397 1.00 0.00 WT3 O ATOM 43850 H1 TIP3 6357 4.438 0.804 -3.508 1.00 0.00 WT3 H ATOM 43851 H2 TIP3 6357 -6.244 11.080 8.624 1.00 0.00 WT3 H ATOM 43852 OH2 TIP3 6359 2.216 -5.813 0.164 1.00 0.00 WT3 O ATOM 43853 H1 TIP3 6359 -2.627 -10.550 -16.262 1.00 0.00 WT3 H ATOM 43854 H2 TIP3 6359 8.502 -3.173 17.703 1.00 0.00 WT3 H ATOM 43855 OH2 TIP3 6360 3.351 3.019 2.712 1.00 0.00 WT3 O ATOM 43856 H1 TIP3 6360 9.315 9.954 4.049 1.00 0.00 WT3 H ATOM 43857 H2 TIP3 6360 -2.356 3.790 6.500 1.00 0.00 WT3 H ATOM 43858 OH2 TIP3 6361 -3.164 -1.971 -2.829 1.00 0.00 WT3 O ATOM 43859 H1 TIP3 6361 -21.590 3.849 14.213 1.00 0.00 WT3 H ATOM 43860 H2 TIP3 6361 4.724 -0.041 -4.519 1.00 0.00 WT3 H ATOM 43861 OH2 TIP3 6362 4.987 -1.259 1.706 1.00 0.00 WT3 O ATOM 43862 H1 TIP3 6362 1.080 -4.700 7.203 1.00 0.00 WT3 H ATOM 43863 H2 TIP3 6362 6.350 -3.759 -7.269 1.00 0.00 WT3 H ATOM 43864 OH2 TIP3 6363 6.653 -2.471 -0.236 1.00 0.00 WT3 O ATOM 43865 H1 TIP3 6363 -3.397 -1.973 -31.568 1.00 0.00 WT3 H ATOM 43866 H2 TIP3 6363 10.567 4.747 7.422 1.00 0.00 WT3 H ATOM 43867 OH2 TIP3 6364 -3.225 4.971 -0.690 1.00 0.00 WT3 O ATOM 43868 H1 TIP3 6364 8.238 -6.253 -14.947 1.00 0.00 WT3 H ATOM 43869 H2 TIP3 6364 -12.060 -2.605 17.357 1.00 0.00 WT3 H ATOM 43870 OH2 TIP3 6365 -5.796 5.196 -4.057 1.00 0.00 WT3 O ATOM 43871 H1 TIP3 6365 -4.560 11.222 -5.217 1.00 0.00 WT3 H ATOM 43872 H2 TIP3 6365 -7.420 -6.895 -1.519 1.00 0.00 WT3 H ATOM 43873 OH2 TIP3 6366 -1.395 5.966 3.510 1.00 0.00 WT3 O ATOM 43874 H1 TIP3 6366 -11.925 -3.285 -21.837 1.00 0.00 WT3 H ATOM 43875 H2 TIP3 6366 11.133 14.210 -4.976 1.00 0.00 WT3 H ATOM 43876 OH2 TIP3 6369 4.988 -2.896 -5.603 1.00 0.00 WT3 O ATOM 43877 H1 TIP3 6369 4.832 3.413 8.639 1.00 0.00 WT3 H ATOM 43878 H2 TIP3 6369 0.177 -14.493 -2.129 1.00 0.00 WT3 H ATOM 43879 OH2 TIP3 6370 2.623 2.816 -4.075 1.00 0.00 WT3 O ATOM 43880 H1 TIP3 6370 -20.455 9.165 -2.856 1.00 0.00 WT3 H ATOM 43881 H2 TIP3 6370 12.084 1.444 13.669 1.00 0.00 WT3 H ATOM 43882 OH2 TIP3 6371 -1.067 1.702 -2.470 1.00 0.00 WT3 O ATOM 43883 H1 TIP3 6371 1.778 -11.597 8.847 1.00 0.00 WT3 H ATOM 43884 H2 TIP3 6371 -10.909 -1.107 -13.954 1.00 0.00 WT3 H ATOM 43885 OH2 TIP3 6372 -0.607 3.314 -5.287 1.00 0.00 WT3 O ATOM 43886 H1 TIP3 6372 -2.669 5.473 -16.256 1.00 0.00 WT3 H ATOM 43887 H2 TIP3 6372 -10.815 26.242 6.897 1.00 0.00 WT3 H ATOM 43888 OH2 TIP3 6373 2.778 -1.690 -0.139 1.00 0.00 WT3 O ATOM 43889 H1 TIP3 6373 22.155 -3.687 -13.794 1.00 0.00 WT3 H ATOM 43890 H2 TIP3 6373 -4.964 -0.427 35.619 1.00 0.00 WT3 H ATOM 43891 OH2 TIP3 6374 2.739 -0.880 -3.948 1.00 0.00 WT3 O ATOM 43892 H1 TIP3 6374 -5.122 -8.406 1.709 1.00 0.00 WT3 H ATOM 43893 H2 TIP3 6374 10.793 -2.243 -12.343 1.00 0.00 WT3 H ATOM 43894 OH2 TIP3 6375 -0.141 -0.474 1.214 1.00 0.00 WT3 O ATOM 43895 H1 TIP3 6375 3.819 -2.658 -3.034 1.00 0.00 WT3 H ATOM 43896 H2 TIP3 6375 0.042 22.401 19.826 1.00 0.00 WT3 H ATOM 43897 OH2 TIP3 6377 2.631 -6.536 0.671 1.00 0.00 WT3 O ATOM 43898 H1 TIP3 6377 1.157 17.478 4.325 1.00 0.00 WT3 H ATOM 43899 H2 TIP3 6377 5.157 23.837 5.845 1.00 0.00 WT3 H ATOM 43900 OH2 TIP3 6380 1.456 0.187 -1.621 1.00 0.00 WT3 O ATOM 43901 H1 TIP3 6380 18.579 6.201 -21.445 1.00 0.00 WT3 H ATOM 43902 H2 TIP3 6380 -13.027 17.126 14.617 1.00 0.00 WT3 H ATOM 43903 OH2 TIP3 6381 3.610 -0.650 -4.054 1.00 0.00 WT3 O ATOM 43904 H1 TIP3 6381 -0.257 7.675 3.535 1.00 0.00 WT3 H ATOM 43905 H2 TIP3 6381 26.686 -6.999 -1.174 1.00 0.00 WT3 H ATOM 43906 OH2 TIP3 6384 0.126 -1.218 2.471 1.00 0.00 WT3 O ATOM 43907 H1 TIP3 6384 -2.791 2.023 4.657 1.00 0.00 WT3 H ATOM 43908 H2 TIP3 6384 -7.555 -5.859 14.947 1.00 0.00 WT3 H ATOM 43909 OH2 TIP3 6386 3.934 -0.303 8.000 1.00 0.00 WT3 O ATOM 43910 H1 TIP3 6386 5.140 -9.974 -4.024 1.00 0.00 WT3 H ATOM 43911 H2 TIP3 6386 7.193 3.459 -8.950 1.00 0.00 WT3 H ATOM 43912 OH2 TIP3 6388 -3.053 0.365 -0.846 1.00 0.00 WT3 O ATOM 43913 H1 TIP3 6388 8.451 -5.976 4.668 1.00 0.00 WT3 H ATOM 43914 H2 TIP3 6388 -10.783 5.161 13.811 1.00 0.00 WT3 H ATOM 43915 OH2 TIP3 6390 2.611 -6.920 2.567 1.00 0.00 WT3 O ATOM 43916 H1 TIP3 6390 -2.114 -0.819 5.800 1.00 0.00 WT3 H ATOM 43917 H2 TIP3 6390 -1.121 -8.673 -4.762 1.00 0.00 WT3 H ATOM 43918 OH2 TIP3 6391 -0.115 -0.403 -1.932 1.00 0.00 WT3 O ATOM 43919 H1 TIP3 6391 -0.904 1.106 -8.340 1.00 0.00 WT3 H ATOM 43920 H2 TIP3 6391 2.622 -3.553 -3.628 1.00 0.00 WT3 H ATOM 43921 OH2 TIP3 6393 -4.944 -2.277 -4.750 1.00 0.00 WT3 O ATOM 43922 H1 TIP3 6393 -5.545 1.331 -2.370 1.00 0.00 WT3 H ATOM 43923 H2 TIP3 6393 -6.683 2.870 -2.629 1.00 0.00 WT3 H ATOM 43924 OH2 TIP3 6395 -0.164 -1.066 -2.400 1.00 0.00 WT3 O ATOM 43925 H1 TIP3 6395 -25.550 2.307 6.638 1.00 0.00 WT3 H ATOM 43926 H2 TIP3 6395 23.207 -1.528 -8.357 1.00 0.00 WT3 H ATOM 43927 OH2 TIP3 6400 2.384 3.976 -8.757 1.00 0.00 WT3 O ATOM 43928 H1 TIP3 6400 -17.084 13.160 6.885 1.00 0.00 WT3 H ATOM 43929 H2 TIP3 6400 12.015 -3.270 -11.143 1.00 0.00 WT3 H ATOM 43930 OH2 TIP3 6401 8.795 3.184 3.540 1.00 0.00 WT3 O ATOM 43931 H1 TIP3 6401 9.871 -0.610 7.451 1.00 0.00 WT3 H ATOM 43932 H2 TIP3 6401 18.041 -5.422 6.524 1.00 0.00 WT3 H ATOM 43933 OH2 TIP3 6403 -0.965 0.290 2.041 1.00 0.00 WT3 O ATOM 43934 H1 TIP3 6403 -4.104 -14.004 -8.988 1.00 0.00 WT3 H ATOM 43935 H2 TIP3 6403 -1.898 10.386 -3.630 1.00 0.00 WT3 H ATOM 43936 OH2 TIP3 6411 -0.575 -4.109 3.383 1.00 0.00 WT3 O ATOM 43937 H1 TIP3 6411 5.926 -20.010 -9.982 1.00 0.00 WT3 H ATOM 43938 H2 TIP3 6411 -16.721 -14.179 17.432 1.00 0.00 WT3 H ATOM 43939 OH2 TIP3 6417 1.384 4.517 -2.493 1.00 0.00 WT3 O ATOM 43940 H1 TIP3 6417 -10.441 0.371 -7.830 1.00 0.00 WT3 H ATOM 43941 H2 TIP3 6417 0.556 -3.124 32.640 1.00 0.00 WT3 H ATOM 43942 OH2 TIP3 6420 -1.914 -2.172 -5.198 1.00 0.00 WT3 O ATOM 43943 H1 TIP3 6420 -15.276 18.915 -11.333 1.00 0.00 WT3 H ATOM 43944 H2 TIP3 6420 0.411 -5.975 -10.225 1.00 0.00 WT3 H ATOM 43945 OH2 TIP3 6421 0.667 4.571 3.361 1.00 0.00 WT3 O ATOM 43946 H1 TIP3 6421 -5.036 -2.678 -0.830 1.00 0.00 WT3 H ATOM 43947 H2 TIP3 6421 1.005 11.877 18.883 1.00 0.00 WT3 H ATOM 43948 OH2 TIP3 6424 -4.013 2.205 -1.037 1.00 0.00 WT3 O ATOM 43949 H1 TIP3 6424 6.306 14.039 4.791 1.00 0.00 WT3 H ATOM 43950 H2 TIP3 6424 -14.468 -10.797 -5.761 1.00 0.00 WT3 H ATOM 43951 OH2 TIP3 6428 1.591 0.967 -2.322 1.00 0.00 WT3 O ATOM 43952 H1 TIP3 6428 3.774 -3.245 -5.283 1.00 0.00 WT3 H ATOM 43953 H2 TIP3 6428 6.988 7.382 -2.296 1.00 0.00 WT3 H ATOM 43954 OH2 TIP3 6429 -4.090 1.769 3.688 1.00 0.00 WT3 O ATOM 43955 H1 TIP3 6429 -2.471 0.154 11.633 1.00 0.00 WT3 H ATOM 43956 H2 TIP3 6429 -5.586 8.902 -1.345 1.00 0.00 WT3 H ATOM 43957 OH2 TIP3 6441 2.448 -0.251 -5.364 1.00 0.00 WT3 O ATOM 43958 H1 TIP3 6441 -0.224 18.923 -9.758 1.00 0.00 WT3 H ATOM 43959 H2 TIP3 6441 -2.208 -11.094 -8.836 1.00 0.00 WT3 H ATOM 43960 OH2 TIP3 6492 -5.069 4.203 -4.202 1.00 0.00 WT3 O ATOM 43961 H1 TIP3 6492 -3.553 -6.400 -11.024 1.00 0.00 WT3 H ATOM 43962 H2 TIP3 6492 9.873 -11.468 17.403 1.00 0.00 WT3 H ATOM 43963 OH2 TIP3 6499 1.122 3.044 -4.604 1.00 0.00 WT3 O ATOM 43964 H1 TIP3 6499 8.870 -11.972 -10.007 1.00 0.00 WT3 H ATOM 43965 H2 TIP3 6499 -2.138 8.506 -14.887 1.00 0.00 WT3 H ATOM 43966 OH2 TIP3 6536 -4.638 -3.603 1.281 1.00 0.00 WT3 O ATOM 43967 H1 TIP3 6536 16.692 -20.158 13.581 1.00 0.00 WT3 H ATOM 43968 H2 TIP3 6536 16.314 14.915 -8.052 1.00 0.00 WT3 H ATOM 43969 OH2 TIP3 6551 0.996 1.923 -2.235 1.00 0.00 WT3 O ATOM 43970 H1 TIP3 6551 -7.546 -6.819 2.490 1.00 0.00 WT3 H ATOM 43971 H2 TIP3 6551 15.757 -2.681 -12.948 1.00 0.00 WT3 H ATOM 43972 OH2 TIP3 6555 10.523 7.487 -2.292 1.00 0.00 WT3 O ATOM 43973 H1 TIP3 6555 10.178 29.794 9.623 1.00 0.00 WT3 H ATOM 43974 H2 TIP3 6555 -15.669 -0.108 5.674 1.00 0.00 WT3 H ATOM 43975 OH2 TIP3 6569 -2.041 4.527 2.941 1.00 0.00 WT3 O ATOM 43976 H1 TIP3 6569 -4.343 4.155 5.056 1.00 0.00 WT3 H ATOM 43977 H2 TIP3 6569 3.750 -3.093 -8.455 1.00 0.00 WT3 H ATOM 43978 OH2 TIP3 6571 -1.723 0.442 -1.436 1.00 0.00 WT3 O ATOM 43979 H1 TIP3 6571 -4.664 -0.039 2.512 1.00 0.00 WT3 H ATOM 43980 H2 TIP3 6571 -1.531 1.466 -1.545 1.00 0.00 WT3 H ATOM 43981 OH2 TIP3 6575 1.282 -3.301 6.349 1.00 0.00 WT3 O ATOM 43982 H1 TIP3 6575 -11.606 -21.868 -10.214 1.00 0.00 WT3 H ATOM 43983 H2 TIP3 6575 -7.798 -25.788 -9.205 1.00 0.00 WT3 H ATOM 43984 OH2 TIP3 6579 -1.601 -1.739 0.815 1.00 0.00 WT3 O ATOM 43985 H1 TIP3 6579 -7.873 -14.756 -5.423 1.00 0.00 WT3 H ATOM 43986 H2 TIP3 6579 -14.091 12.355 -9.882 1.00 0.00 WT3 H ATOM 43987 OH2 TIP3 6592 -0.660 -1.386 -0.869 1.00 0.00 WT3 O ATOM 43988 H1 TIP3 6592 3.270 -0.883 -3.588 1.00 0.00 WT3 H ATOM 43989 H2 TIP3 6592 -3.918 -3.977 -13.129 1.00 0.00 WT3 H ATOM 43990 OH2 TIP3 6595 6.030 0.341 -1.314 1.00 0.00 WT3 O ATOM 43991 H1 TIP3 6595 -2.711 -1.115 1.628 1.00 0.00 WT3 H ATOM 43992 H2 TIP3 6595 7.542 -0.789 -8.864 1.00 0.00 WT3 H ATOM 43993 OH2 TIP3 6597 1.994 2.896 -4.541 1.00 0.00 WT3 O ATOM 43994 H1 TIP3 6597 -7.438 5.719 -8.393 1.00 0.00 WT3 H ATOM 43995 H2 TIP3 6597 20.975 1.800 -1.177 1.00 0.00 WT3 H ATOM 43996 OH2 TIP3 6602 4.615 3.863 0.517 1.00 0.00 WT3 O ATOM 43997 H1 TIP3 6602 -6.957 -6.151 32.424 1.00 0.00 WT3 H ATOM 43998 H2 TIP3 6602 -11.016 3.808 0.126 1.00 0.00 WT3 H ATOM 43999 OH2 TIP3 6603 2.514 -0.329 4.889 1.00 0.00 WT3 O ATOM 44000 H1 TIP3 6603 -3.608 -11.560 4.737 1.00 0.00 WT3 H ATOM 44001 H2 TIP3 6603 8.824 9.356 8.021 1.00 0.00 WT3 H ATOM 44002 OH2 TIP3 6606 5.715 -8.722 -6.646 1.00 0.00 WT3 O ATOM 44003 H1 TIP3 6606 13.768 7.974 13.746 1.00 0.00 WT3 H ATOM 44004 H2 TIP3 6606 11.805 5.980 11.308 1.00 0.00 WT3 H ATOM 44005 OH2 TIP3 6613 -7.185 -3.200 1.047 1.00 0.00 WT3 O ATOM 44006 H1 TIP3 6613 -10.354 -1.441 -4.162 1.00 0.00 WT3 H ATOM 44007 H2 TIP3 6613 -5.868 -11.259 0.024 1.00 0.00 WT3 H ATOM 44008 OH2 TIP3 6614 3.694 -1.850 2.278 1.00 0.00 WT3 O ATOM 44009 H1 TIP3 6614 -27.218 -15.871 11.440 1.00 0.00 WT3 H ATOM 44010 H2 TIP3 6614 6.334 -2.493 2.983 1.00 0.00 WT3 H ATOM 44011 OH2 TIP3 6615 -1.888 -5.936 -1.429 1.00 0.00 WT3 O ATOM 44012 H1 TIP3 6615 0.368 -12.088 3.332 1.00 0.00 WT3 H ATOM 44013 H2 TIP3 6615 -7.419 -8.954 -3.677 1.00 0.00 WT3 H ATOM 44014 OH2 TIP3 6616 5.202 -5.014 -5.762 1.00 0.00 WT3 O ATOM 44015 H1 TIP3 6616 8.149 1.318 -8.682 1.00 0.00 WT3 H ATOM 44016 H2 TIP3 6616 2.426 0.827 -1.744 1.00 0.00 WT3 H ATOM 44017 OH2 TIP3 6618 -2.100 2.078 7.065 1.00 0.00 WT3 O ATOM 44018 H1 TIP3 6618 -3.346 -5.102 5.033 1.00 0.00 WT3 H ATOM 44019 H2 TIP3 6618 8.740 -2.874 7.331 1.00 0.00 WT3 H ATOM 44020 OH2 TIP3 6620 -4.259 0.253 0.191 1.00 0.00 WT3 O ATOM 44021 H1 TIP3 6620 2.874 15.834 26.129 1.00 0.00 WT3 H ATOM 44022 H2 TIP3 6620 7.981 10.884 -8.635 1.00 0.00 WT3 H ATOM 44023 OH2 TIP3 6621 -4.072 -5.107 5.341 1.00 0.00 WT3 O ATOM 44024 H1 TIP3 6621 -5.216 -9.195 16.315 1.00 0.00 WT3 H ATOM 44025 H2 TIP3 6621 -20.377 4.918 -0.542 1.00 0.00 WT3 H ATOM 44026 OH2 TIP3 6622 1.023 2.726 0.660 1.00 0.00 WT3 O ATOM 44027 H1 TIP3 6622 5.744 0.577 5.191 1.00 0.00 WT3 H ATOM 44028 H2 TIP3 6622 14.037 -10.643 11.354 1.00 0.00 WT3 H ATOM 44029 OH2 TIP3 6623 5.597 3.401 -0.432 1.00 0.00 WT3 O ATOM 44030 H1 TIP3 6623 19.360 7.409 -8.195 1.00 0.00 WT3 H ATOM 44031 H2 TIP3 6623 -7.674 -4.963 -3.158 1.00 0.00 WT3 H ATOM 44032 OH2 TIP3 6625 0.685 -0.256 2.953 1.00 0.00 WT3 O ATOM 44033 H1 TIP3 6625 -2.995 21.815 -4.141 1.00 0.00 WT3 H ATOM 44034 H2 TIP3 6625 -11.178 -0.821 22.435 1.00 0.00 WT3 H ATOM 44035 OH2 TIP3 6627 -1.549 3.619 -1.958 1.00 0.00 WT3 O ATOM 44036 H1 TIP3 6627 11.389 -8.250 8.311 1.00 0.00 WT3 H ATOM 44037 H2 TIP3 6627 15.541 17.258 -11.230 1.00 0.00 WT3 H ATOM 44038 OH2 TIP3 6628 1.013 2.161 -5.697 1.00 0.00 WT3 O ATOM 44039 H1 TIP3 6628 2.327 5.693 4.576 1.00 0.00 WT3 H ATOM 44040 H2 TIP3 6628 -0.726 12.310 -11.312 1.00 0.00 WT3 H ATOM 44041 OH2 TIP3 6629 -3.242 1.347 -4.370 1.00 0.00 WT3 O ATOM 44042 H1 TIP3 6629 4.452 17.856 -3.466 1.00 0.00 WT3 H ATOM 44043 H2 TIP3 6629 -7.579 -0.159 -18.719 1.00 0.00 WT3 H ATOM 44044 OH2 TIP3 6632 -4.905 -0.373 3.257 1.00 0.00 WT3 O ATOM 44045 H1 TIP3 6632 9.905 10.693 18.757 1.00 0.00 WT3 H ATOM 44046 H2 TIP3 6632 2.233 -16.975 6.061 1.00 0.00 WT3 H ATOM 44047 OH2 TIP3 6634 -1.918 -2.264 0.306 1.00 0.00 WT3 O ATOM 44048 H1 TIP3 6634 -2.470 -0.588 -12.880 1.00 0.00 WT3 H ATOM 44049 H2 TIP3 6634 -16.037 -1.087 4.037 1.00 0.00 WT3 H ATOM 44050 OH2 TIP3 6637 0.486 11.369 2.193 1.00 0.00 WT3 O ATOM 44051 H1 TIP3 6637 -2.416 13.637 9.384 1.00 0.00 WT3 H ATOM 44052 H2 TIP3 6637 -1.992 13.332 8.822 1.00 0.00 WT3 H ATOM 44053 OH2 TIP3 6639 2.370 4.705 1.496 1.00 0.00 WT3 O ATOM 44054 H1 TIP3 6639 0.333 -6.245 5.653 1.00 0.00 WT3 H ATOM 44055 H2 TIP3 6639 -4.123 3.415 -1.504 1.00 0.00 WT3 H ATOM 44056 OH2 TIP3 6640 -0.235 6.281 -0.988 1.00 0.00 WT3 O ATOM 44057 H1 TIP3 6640 5.071 -7.982 5.620 1.00 0.00 WT3 H ATOM 44058 H2 TIP3 6640 10.769 15.721 5.039 1.00 0.00 WT3 H ATOM 44059 OH2 TIP3 6641 2.032 -2.519 -4.578 1.00 0.00 WT3 O ATOM 44060 H1 TIP3 6641 -21.734 -20.036 -18.443 1.00 0.00 WT3 H ATOM 44061 H2 TIP3 6641 -1.785 5.410 -1.094 1.00 0.00 WT3 H ATOM 44062 OH2 TIP3 6644 -0.323 -12.775 1.359 1.00 0.00 WT3 O ATOM 44063 H1 TIP3 6644 -15.923 -18.398 -18.804 1.00 0.00 WT3 H ATOM 44064 H2 TIP3 6644 -18.892 20.228 -11.216 1.00 0.00 WT3 H ATOM 44065 OH2 TIP3 6645 1.785 2.006 -2.599 1.00 0.00 WT3 O ATOM 44066 H1 TIP3 6645 9.164 5.688 1.668 1.00 0.00 WT3 H ATOM 44067 H2 TIP3 6645 0.425 -20.218 -18.758 1.00 0.00 WT3 H ATOM 44068 OH2 TIP3 6648 1.098 0.452 -5.985 1.00 0.00 WT3 O ATOM 44069 H1 TIP3 6648 -29.979 -31.682 9.845 1.00 0.00 WT3 H ATOM 44070 H2 TIP3 6648 3.679 8.509 25.772 1.00 0.00 WT3 H ATOM 44071 OH2 TIP3 6649 1.971 -5.404 4.337 1.00 0.00 WT3 O ATOM 44072 H1 TIP3 6649 -8.437 -21.822 -5.100 1.00 0.00 WT3 H ATOM 44073 H2 TIP3 6649 -3.501 10.782 -26.041 1.00 0.00 WT3 H ATOM 44074 OH2 TIP3 6650 -3.573 0.700 -3.097 1.00 0.00 WT3 O ATOM 44075 H1 TIP3 6650 -11.870 3.281 -14.231 1.00 0.00 WT3 H ATOM 44076 H2 TIP3 6650 4.821 -6.817 5.870 1.00 0.00 WT3 H ATOM 44077 OH2 TIP3 6651 -1.742 0.740 2.570 1.00 0.00 WT3 O ATOM 44078 H1 TIP3 6651 -3.260 -14.569 -20.099 1.00 0.00 WT3 H ATOM 44079 H2 TIP3 6651 14.413 -2.924 4.948 1.00 0.00 WT3 H ATOM 44080 OH2 TIP3 6652 3.466 -1.088 -0.132 1.00 0.00 WT3 O ATOM 44081 H1 TIP3 6652 -9.252 -4.867 18.549 1.00 0.00 WT3 H ATOM 44082 H2 TIP3 6652 0.212 -2.110 2.770 1.00 0.00 WT3 H ATOM 44083 OH2 TIP3 6653 -4.736 -5.273 -6.110 1.00 0.00 WT3 O ATOM 44084 H1 TIP3 6653 -7.323 -9.662 1.671 1.00 0.00 WT3 H ATOM 44085 H2 TIP3 6653 -3.282 -2.804 -14.438 1.00 0.00 WT3 H ATOM 44086 OH2 TIP3 6655 -1.921 2.614 -3.303 1.00 0.00 WT3 O ATOM 44087 H1 TIP3 6655 2.897 6.695 -2.980 1.00 0.00 WT3 H ATOM 44088 H2 TIP3 6655 -4.078 -6.161 2.779 1.00 0.00 WT3 H ATOM 44089 OH2 TIP3 6658 -6.230 -4.753 1.630 1.00 0.00 WT3 O ATOM 44090 H1 TIP3 6658 9.081 -4.044 -8.846 1.00 0.00 WT3 H ATOM 44091 H2 TIP3 6658 -14.384 -0.066 -8.320 1.00 0.00 WT3 H ATOM 44092 OH2 TIP3 6659 -2.487 -3.756 6.296 1.00 0.00 WT3 O ATOM 44093 H1 TIP3 6659 -15.911 6.390 -2.547 1.00 0.00 WT3 H ATOM 44094 H2 TIP3 6659 1.580 2.314 -10.554 1.00 0.00 WT3 H ATOM 44095 OH2 TIP3 6660 -1.531 -1.345 2.330 1.00 0.00 WT3 O ATOM 44096 H1 TIP3 6660 8.913 -16.033 10.237 1.00 0.00 WT3 H ATOM 44097 H2 TIP3 6660 7.879 15.118 9.154 1.00 0.00 WT3 H ATOM 44098 OH2 TIP3 6661 0.152 5.011 -1.366 1.00 0.00 WT3 O ATOM 44099 H1 TIP3 6661 10.865 6.936 9.267 1.00 0.00 WT3 H ATOM 44100 H2 TIP3 6661 1.486 18.237 3.427 1.00 0.00 WT3 H ATOM 44101 OH2 TIP3 6662 -0.480 3.525 5.003 1.00 0.00 WT3 O ATOM 44102 H1 TIP3 6662 -1.554 1.375 3.345 1.00 0.00 WT3 H ATOM 44103 H2 TIP3 6662 -8.664 -15.271 -6.829 1.00 0.00 WT3 H ATOM 44104 OH2 TIP3 6664 -8.809 -0.557 3.446 1.00 0.00 WT3 O ATOM 44105 H1 TIP3 6664 -12.624 8.299 8.568 1.00 0.00 WT3 H ATOM 44106 H2 TIP3 6664 -1.332 9.902 -11.556 1.00 0.00 WT3 H ATOM 44107 OH2 TIP3 6665 3.694 2.045 -3.193 1.00 0.00 WT3 O ATOM 44108 H1 TIP3 6665 0.723 -1.618 -8.651 1.00 0.00 WT3 H ATOM 44109 H2 TIP3 6665 11.237 0.204 -0.180 1.00 0.00 WT3 H ATOM 44110 OH2 TIP3 6666 -2.925 3.098 -0.345 1.00 0.00 WT3 O ATOM 44111 H1 TIP3 6666 3.168 2.322 7.187 1.00 0.00 WT3 H ATOM 44112 H2 TIP3 6666 -7.763 7.738 -6.470 1.00 0.00 WT3 H ATOM 44113 OH2 TIP3 6668 -4.985 1.382 -5.021 1.00 0.00 WT3 O ATOM 44114 H1 TIP3 6668 -12.793 8.499 -7.983 1.00 0.00 WT3 H ATOM 44115 H2 TIP3 6668 -5.366 -20.212 4.832 1.00 0.00 WT3 H ATOM 44116 OH2 TIP3 6670 3.200 1.057 6.143 1.00 0.00 WT3 O ATOM 44117 H1 TIP3 6670 21.113 2.547 -0.916 1.00 0.00 WT3 H ATOM 44118 H2 TIP3 6670 -8.236 -13.033 14.674 1.00 0.00 WT3 H ATOM 44119 OH2 TIP3 6671 -0.548 2.299 6.566 1.00 0.00 WT3 O ATOM 44120 H1 TIP3 6671 6.873 -4.801 -8.235 1.00 0.00 WT3 H ATOM 44121 H2 TIP3 6671 1.489 12.745 14.484 1.00 0.00 WT3 H ATOM 44122 OH2 TIP3 6673 3.303 5.919 -4.124 1.00 0.00 WT3 O ATOM 44123 H1 TIP3 6673 -2.577 3.088 -3.866 1.00 0.00 WT3 H ATOM 44124 H2 TIP3 6673 -3.173 1.688 -2.224 1.00 0.00 WT3 H ATOM 44125 OH2 TIP3 6674 -0.446 2.942 0.906 1.00 0.00 WT3 O ATOM 44126 H1 TIP3 6674 6.185 7.591 -3.106 1.00 0.00 WT3 H ATOM 44127 H2 TIP3 6674 7.499 3.909 -2.947 1.00 0.00 WT3 H ATOM 44128 OH2 TIP3 6677 -3.699 1.724 3.807 1.00 0.00 WT3 O ATOM 44129 H1 TIP3 6677 -2.862 1.212 0.842 1.00 0.00 WT3 H ATOM 44130 H2 TIP3 6677 -5.231 0.434 -0.151 1.00 0.00 WT3 H ATOM 44131 OH2 TIP3 6679 -2.319 4.832 5.190 1.00 0.00 WT3 O ATOM 44132 H1 TIP3 6679 0.225 -18.541 7.501 1.00 0.00 WT3 H ATOM 44133 H2 TIP3 6679 -13.076 8.204 -12.792 1.00 0.00 WT3 H ATOM 44134 OH2 TIP3 6680 1.983 -2.569 2.743 1.00 0.00 WT3 O ATOM 44135 H1 TIP3 6680 -0.084 1.513 2.453 1.00 0.00 WT3 H ATOM 44136 H2 TIP3 6680 -4.558 -0.477 11.374 1.00 0.00 WT3 H ATOM 44137 OH2 TIP3 6681 0.717 -0.199 -1.952 1.00 0.00 WT3 O ATOM 44138 H1 TIP3 6681 -15.483 7.010 6.387 1.00 0.00 WT3 H ATOM 44139 H2 TIP3 6681 -20.425 -15.422 -4.783 1.00 0.00 WT3 H ATOM 44140 OH2 TIP3 6682 -0.163 4.463 0.220 1.00 0.00 WT3 O ATOM 44141 H1 TIP3 6682 20.431 8.332 16.748 1.00 0.00 WT3 H ATOM 44142 H2 TIP3 6682 -14.605 19.018 -23.836 1.00 0.00 WT3 H ATOM 44143 OH2 TIP3 6684 -2.691 -1.682 6.461 1.00 0.00 WT3 O ATOM 44144 H1 TIP3 6684 1.612 19.813 6.779 1.00 0.00 WT3 H ATOM 44145 H2 TIP3 6684 -16.421 -6.543 9.167 1.00 0.00 WT3 H ATOM 44146 OH2 TIP3 6685 3.353 -1.408 4.364 1.00 0.00 WT3 O ATOM 44147 H1 TIP3 6685 13.114 15.665 11.012 1.00 0.00 WT3 H ATOM 44148 H2 TIP3 6685 1.997 -12.149 -10.023 1.00 0.00 WT3 H ATOM 44149 OH2 TIP3 6686 -1.138 2.867 -2.180 1.00 0.00 WT3 O ATOM 44150 H1 TIP3 6686 1.322 -3.374 11.029 1.00 0.00 WT3 H ATOM 44151 H2 TIP3 6686 -6.759 9.809 -9.531 1.00 0.00 WT3 H ATOM 44152 OH2 TIP3 6687 -8.598 2.111 2.313 1.00 0.00 WT3 O ATOM 44153 H1 TIP3 6687 3.301 -15.125 19.955 1.00 0.00 WT3 H ATOM 44154 H2 TIP3 6687 -6.692 -16.088 3.764 1.00 0.00 WT3 H ATOM 44155 OH2 TIP3 6689 -1.076 -2.190 6.063 1.00 0.00 WT3 O ATOM 44156 H1 TIP3 6689 -13.805 12.625 -3.494 1.00 0.00 WT3 H ATOM 44157 H2 TIP3 6689 -1.847 3.558 2.386 1.00 0.00 WT3 H ATOM 44158 OH2 TIP3 6690 2.294 -3.291 -5.089 1.00 0.00 WT3 O ATOM 44159 H1 TIP3 6690 -10.266 8.880 -21.035 1.00 0.00 WT3 H ATOM 44160 H2 TIP3 6690 1.922 -5.441 -19.899 1.00 0.00 WT3 H ATOM 44161 OH2 TIP3 6691 0.129 -2.823 -0.304 1.00 0.00 WT3 O ATOM 44162 H1 TIP3 6691 14.152 -3.783 -22.550 1.00 0.00 WT3 H ATOM 44163 H2 TIP3 6691 8.880 -6.535 -9.285 1.00 0.00 WT3 H ATOM 44164 OH2 TIP3 6692 -1.505 -0.350 -8.830 1.00 0.00 WT3 O ATOM 44165 H1 TIP3 6692 4.134 2.958 -2.528 1.00 0.00 WT3 H ATOM 44166 H2 TIP3 6692 5.217 -12.529 -12.452 1.00 0.00 WT3 H ATOM 44167 OH2 TIP3 6694 2.564 -0.911 0.101 1.00 0.00 WT3 O ATOM 44168 H1 TIP3 6694 -3.478 -6.244 12.717 1.00 0.00 WT3 H ATOM 44169 H2 TIP3 6694 -2.006 -17.650 20.397 1.00 0.00 WT3 H ATOM 44170 OH2 TIP3 6695 1.619 -0.960 4.199 1.00 0.00 WT3 O ATOM 44171 H1 TIP3 6695 -4.596 -1.764 -0.382 1.00 0.00 WT3 H ATOM 44172 H2 TIP3 6695 -1.745 -3.761 11.008 1.00 0.00 WT3 H ATOM 44173 OH2 TIP3 6697 -7.435 5.623 2.769 1.00 0.00 WT3 O ATOM 44174 H1 TIP3 6697 -11.712 19.989 5.710 1.00 0.00 WT3 H ATOM 44175 H2 TIP3 6697 -29.051 -27.434 -15.204 1.00 0.00 WT3 H ATOM 44176 OH2 TIP3 6698 4.142 -6.416 -4.036 1.00 0.00 WT3 O ATOM 44177 H1 TIP3 6698 0.143 7.568 1.321 1.00 0.00 WT3 H ATOM 44178 H2 TIP3 6698 -2.243 -29.240 -6.498 1.00 0.00 WT3 H ATOM 44179 OH2 TIP3 6700 -5.954 2.457 5.136 1.00 0.00 WT3 O ATOM 44180 H1 TIP3 6700 2.960 -13.421 1.548 1.00 0.00 WT3 H ATOM 44181 H2 TIP3 6700 -32.794 3.523 6.362 1.00 0.00 WT3 H ATOM 44182 OH2 TIP3 6701 -1.453 -0.053 5.793 1.00 0.00 WT3 O ATOM 44183 H1 TIP3 6701 -13.120 15.961 -4.039 1.00 0.00 WT3 H ATOM 44184 H2 TIP3 6701 16.719 -29.485 19.963 1.00 0.00 WT3 H ATOM 44185 OH2 TIP3 6702 2.485 -0.619 -4.908 1.00 0.00 WT3 O ATOM 44186 H1 TIP3 6702 2.116 -0.479 -4.608 1.00 0.00 WT3 H ATOM 44187 H2 TIP3 6702 2.562 -0.203 -5.051 1.00 0.00 WT3 H ATOM 44188 OH2 TIP3 6703 -12.384 -4.847 -1.468 1.00 0.00 WT3 O ATOM 44189 H1 TIP3 6703 -18.874 -5.457 -6.888 1.00 0.00 WT3 H ATOM 44190 H2 TIP3 6703 -7.387 -7.620 0.005 1.00 0.00 WT3 H ATOM 44191 OH2 TIP3 6704 1.891 -4.901 0.529 1.00 0.00 WT3 O ATOM 44192 H1 TIP3 6704 0.895 -5.571 0.536 1.00 0.00 WT3 H ATOM 44193 H2 TIP3 6704 -8.315 -4.138 -1.217 1.00 0.00 WT3 H ATOM 44194 OH2 TIP3 6705 -1.013 2.081 5.829 1.00 0.00 WT3 O ATOM 44195 H1 TIP3 6705 3.524 -12.183 0.802 1.00 0.00 WT3 H ATOM 44196 H2 TIP3 6705 3.201 0.691 5.851 1.00 0.00 WT3 H ATOM 44197 OH2 TIP3 6706 -7.670 4.251 1.964 1.00 0.00 WT3 O ATOM 44198 H1 TIP3 6706 -10.557 10.168 -1.083 1.00 0.00 WT3 H ATOM 44199 H2 TIP3 6706 -1.456 -2.833 5.098 1.00 0.00 WT3 H ATOM 44200 OH2 TIP3 6708 0.564 -0.815 0.267 1.00 0.00 WT3 O ATOM 44201 H1 TIP3 6708 -18.673 -12.656 -0.591 1.00 0.00 WT3 H ATOM 44202 H2 TIP3 6708 0.416 10.988 4.762 1.00 0.00 WT3 H ATOM 44203 OH2 TIP3 6709 0.832 -3.009 -0.464 1.00 0.00 WT3 O ATOM 44204 H1 TIP3 6709 -3.206 1.467 -22.368 1.00 0.00 WT3 H ATOM 44205 H2 TIP3 6709 -1.046 -3.127 -9.787 1.00 0.00 WT3 H ATOM 44206 OH2 TIP3 6710 -3.072 -2.180 -2.594 1.00 0.00 WT3 O ATOM 44207 H1 TIP3 6710 -1.353 -11.943 3.210 1.00 0.00 WT3 H ATOM 44208 H2 TIP3 6710 -6.108 -2.813 -5.946 1.00 0.00 WT3 H ATOM 44209 OH2 TIP3 6712 -4.468 2.467 -0.544 1.00 0.00 WT3 O ATOM 44210 H1 TIP3 6712 -7.636 11.602 0.578 1.00 0.00 WT3 H ATOM 44211 H2 TIP3 6712 4.747 6.785 10.786 1.00 0.00 WT3 H ATOM 44212 OH2 TIP3 6714 -4.675 -2.725 -12.505 1.00 0.00 WT3 O ATOM 44213 H1 TIP3 6714 -7.540 -9.268 1.518 1.00 0.00 WT3 H ATOM 44214 H2 TIP3 6714 11.919 -3.068 -19.915 1.00 0.00 WT3 H ATOM 44215 OH2 TIP3 6715 -4.210 -3.800 -1.819 1.00 0.00 WT3 O ATOM 44216 H1 TIP3 6715 4.758 -2.251 -4.785 1.00 0.00 WT3 H ATOM 44217 H2 TIP3 6715 -3.984 -8.776 5.597 1.00 0.00 WT3 H ATOM 44218 OH2 TIP3 6716 -3.881 5.677 -6.374 1.00 0.00 WT3 O ATOM 44219 H1 TIP3 6716 -5.531 3.640 -19.264 1.00 0.00 WT3 H ATOM 44220 H2 TIP3 6716 -23.376 18.383 -14.555 1.00 0.00 WT3 H ATOM 44221 OH2 TIP3 6717 -4.200 0.656 0.238 1.00 0.00 WT3 O ATOM 44222 H1 TIP3 6717 -5.208 -18.830 -2.659 1.00 0.00 WT3 H ATOM 44223 H2 TIP3 6717 -10.992 -5.489 -4.937 1.00 0.00 WT3 H ATOM 44224 OH2 TIP3 6718 -0.124 4.316 0.098 1.00 0.00 WT3 O ATOM 44225 H1 TIP3 6718 8.598 -11.734 -17.984 1.00 0.00 WT3 H ATOM 44226 H2 TIP3 6718 -15.541 30.497 -6.566 1.00 0.00 WT3 H ATOM 44227 OH2 TIP3 6719 3.834 -4.262 -0.374 1.00 0.00 WT3 O ATOM 44228 H1 TIP3 6719 -27.219 -5.308 11.181 1.00 0.00 WT3 H ATOM 44229 H2 TIP3 6719 -15.183 -1.649 9.851 1.00 0.00 WT3 H ATOM 44230 OH2 TIP3 6720 -2.639 -1.712 1.063 1.00 0.00 WT3 O ATOM 44231 H1 TIP3 6720 -5.225 4.063 10.208 1.00 0.00 WT3 H ATOM 44232 H2 TIP3 6720 0.852 2.767 17.727 1.00 0.00 WT3 H ATOM 44233 OH2 TIP3 6721 1.893 1.062 -4.363 1.00 0.00 WT3 O ATOM 44234 H1 TIP3 6721 -1.831 -0.983 -2.561 1.00 0.00 WT3 H ATOM 44235 H2 TIP3 6721 -6.013 4.275 -1.487 1.00 0.00 WT3 H ATOM 44236 OH2 TIP3 6722 -1.697 1.840 -3.532 1.00 0.00 WT3 O ATOM 44237 H1 TIP3 6722 -3.880 8.854 -1.294 1.00 0.00 WT3 H ATOM 44238 H2 TIP3 6722 1.345 -3.408 1.747 1.00 0.00 WT3 H ATOM 44239 OH2 TIP3 6723 -3.872 -1.650 9.234 1.00 0.00 WT3 O ATOM 44240 H1 TIP3 6723 0.301 -9.268 -4.536 1.00 0.00 WT3 H ATOM 44241 H2 TIP3 6723 -9.578 -10.892 8.233 1.00 0.00 WT3 H ATOM 44242 OH2 TIP3 6724 0.106 2.511 7.273 1.00 0.00 WT3 O ATOM 44243 H1 TIP3 6724 1.805 -9.135 8.751 1.00 0.00 WT3 H ATOM 44244 H2 TIP3 6724 2.573 25.060 -13.973 1.00 0.00 WT3 H ATOM 44245 OH2 TIP3 6726 -0.622 0.306 0.770 1.00 0.00 WT3 O ATOM 44246 H1 TIP3 6726 26.361 5.292 -2.583 1.00 0.00 WT3 H ATOM 44247 H2 TIP3 6726 -13.137 -2.869 3.845 1.00 0.00 WT3 H ATOM 44248 OH2 TIP3 6727 1.416 -4.271 7.186 1.00 0.00 WT3 O ATOM 44249 H1 TIP3 6727 0.986 -4.941 -6.215 1.00 0.00 WT3 H ATOM 44250 H2 TIP3 6727 -2.469 -2.180 -1.343 1.00 0.00 WT3 H ATOM 44251 OH2 TIP3 6728 1.635 0.714 4.731 1.00 0.00 WT3 O ATOM 44252 H1 TIP3 6728 11.682 -8.959 0.595 1.00 0.00 WT3 H ATOM 44253 H2 TIP3 6728 19.572 -3.265 29.065 1.00 0.00 WT3 H ATOM 44254 OH2 TIP3 6729 2.028 0.466 -10.552 1.00 0.00 WT3 O ATOM 44255 H1 TIP3 6729 -2.527 -2.032 -12.459 1.00 0.00 WT3 H ATOM 44256 H2 TIP3 6729 -2.141 -26.850 11.596 1.00 0.00 WT3 H ATOM 44257 OH2 TIP3 6730 -0.081 1.884 -5.124 1.00 0.00 WT3 O ATOM 44258 H1 TIP3 6730 1.867 -24.537 13.748 1.00 0.00 WT3 H ATOM 44259 H2 TIP3 6730 -6.188 -1.479 -29.778 1.00 0.00 WT3 H ATOM 44260 OH2 TIP3 6731 -5.582 2.469 -3.972 1.00 0.00 WT3 O ATOM 44261 H1 TIP3 6731 -5.681 18.808 19.632 1.00 0.00 WT3 H ATOM 44262 H2 TIP3 6731 -3.248 -13.712 -20.788 1.00 0.00 WT3 H ATOM 44263 OH2 TIP3 6732 2.225 -0.957 0.771 1.00 0.00 WT3 O ATOM 44264 H1 TIP3 6732 -3.374 -16.864 4.900 1.00 0.00 WT3 H ATOM 44265 H2 TIP3 6732 5.185 2.215 1.028 1.00 0.00 WT3 H ATOM 44266 OH2 TIP3 6733 1.294 -4.890 1.213 1.00 0.00 WT3 O ATOM 44267 H1 TIP3 6733 5.329 1.930 3.445 1.00 0.00 WT3 H ATOM 44268 H2 TIP3 6733 24.011 -0.531 3.894 1.00 0.00 WT3 H ATOM 44269 OH2 TIP3 6734 -3.272 3.916 -3.086 1.00 0.00 WT3 O ATOM 44270 H1 TIP3 6734 3.296 12.361 10.383 1.00 0.00 WT3 H ATOM 44271 H2 TIP3 6734 -5.438 16.911 10.980 1.00 0.00 WT3 H ATOM 44272 OH2 TIP3 6735 2.101 -0.021 -6.024 1.00 0.00 WT3 O ATOM 44273 H1 TIP3 6735 11.603 -9.400 -26.836 1.00 0.00 WT3 H ATOM 44274 H2 TIP3 6735 16.162 18.212 -10.115 1.00 0.00 WT3 H ATOM 44275 OH2 TIP3 6736 1.744 -1.866 4.837 1.00 0.00 WT3 O ATOM 44276 H1 TIP3 6736 5.258 -0.621 11.904 1.00 0.00 WT3 H ATOM 44277 H2 TIP3 6736 -5.071 -8.954 4.866 1.00 0.00 WT3 H ATOM 44278 OH2 TIP3 6737 1.756 -1.680 -2.205 1.00 0.00 WT3 O ATOM 44279 H1 TIP3 6737 10.626 21.711 -3.898 1.00 0.00 WT3 H ATOM 44280 H2 TIP3 6737 -3.067 13.873 -9.242 1.00 0.00 WT3 H ATOM 44281 OH2 TIP3 6738 -3.265 0.862 4.231 1.00 0.00 WT3 O ATOM 44282 H1 TIP3 6738 2.629 14.951 9.620 1.00 0.00 WT3 H ATOM 44283 H2 TIP3 6738 -0.982 -7.652 19.420 1.00 0.00 WT3 H ATOM 44284 OH2 TIP3 6739 1.757 3.684 1.265 1.00 0.00 WT3 O ATOM 44285 H1 TIP3 6739 1.761 15.109 -16.662 1.00 0.00 WT3 H ATOM 44286 H2 TIP3 6739 5.696 11.778 -9.984 1.00 0.00 WT3 H ATOM 44287 OH2 TIP3 6740 -1.125 -3.153 1.859 1.00 0.00 WT3 O ATOM 44288 H1 TIP3 6740 12.091 -2.238 4.645 1.00 0.00 WT3 H ATOM 44289 H2 TIP3 6740 -0.643 -8.505 -21.602 1.00 0.00 WT3 H ATOM 44290 OH2 TIP3 6741 1.062 -5.182 -2.081 1.00 0.00 WT3 O ATOM 44291 H1 TIP3 6741 6.200 -0.688 9.985 1.00 0.00 WT3 H ATOM 44292 H2 TIP3 6741 12.069 8.168 11.929 1.00 0.00 WT3 H ATOM 44293 OH2 TIP3 6742 8.368 0.161 0.639 1.00 0.00 WT3 O ATOM 44294 H1 TIP3 6742 2.758 14.494 17.826 1.00 0.00 WT3 H ATOM 44295 H2 TIP3 6742 -9.613 -28.322 -4.573 1.00 0.00 WT3 H ATOM 44296 OH2 TIP3 6743 -3.303 0.125 1.362 1.00 0.00 WT3 O ATOM 44297 H1 TIP3 6743 -5.896 -4.399 5.004 1.00 0.00 WT3 H ATOM 44298 H2 TIP3 6743 8.373 3.832 -2.474 1.00 0.00 WT3 H ATOM 44299 OH2 TIP3 6744 -10.058 -5.496 1.179 1.00 0.00 WT3 O ATOM 44300 H1 TIP3 6744 -10.375 2.276 5.967 1.00 0.00 WT3 H ATOM 44301 H2 TIP3 6744 -11.612 -7.791 -4.201 1.00 0.00 WT3 H ATOM 44302 OH2 TIP3 6745 4.862 0.092 5.250 1.00 0.00 WT3 O ATOM 44303 H1 TIP3 6745 -5.011 -1.303 -19.101 1.00 0.00 WT3 H ATOM 44304 H2 TIP3 6745 20.869 -4.570 3.715 1.00 0.00 WT3 H ATOM 44305 OH2 TIP3 6746 2.959 -0.630 -11.783 1.00 0.00 WT3 O ATOM 44306 H1 TIP3 6746 11.701 -4.598 -14.681 1.00 0.00 WT3 H ATOM 44307 H2 TIP3 6746 -17.202 8.870 -6.833 1.00 0.00 WT3 H ATOM 44308 OH2 TIP3 6747 -3.186 -0.377 -6.353 1.00 0.00 WT3 O ATOM 44309 H1 TIP3 6747 -3.196 -0.502 -4.934 1.00 0.00 WT3 H ATOM 44310 H2 TIP3 6747 0.429 -3.645 8.532 1.00 0.00 WT3 H ATOM 44311 OH2 TIP3 6749 -1.295 0.538 5.402 1.00 0.00 WT3 O ATOM 44312 H1 TIP3 6749 -10.646 2.267 6.692 1.00 0.00 WT3 H ATOM 44313 H2 TIP3 6749 1.929 11.777 -1.427 1.00 0.00 WT3 H ATOM 44314 OH2 TIP3 6750 3.867 -4.872 -0.113 1.00 0.00 WT3 O ATOM 44315 H1 TIP3 6750 6.234 13.053 -3.358 1.00 0.00 WT3 H ATOM 44316 H2 TIP3 6750 0.519 -10.290 1.036 1.00 0.00 WT3 H ATOM 44317 OH2 TIP3 6751 3.383 -1.920 4.319 1.00 0.00 WT3 O ATOM 44318 H1 TIP3 6751 -7.413 -8.977 -4.448 1.00 0.00 WT3 H ATOM 44319 H2 TIP3 6751 -12.355 21.928 -5.534 1.00 0.00 WT3 H ATOM 44320 OH2 TIP3 6752 -4.528 4.110 2.060 1.00 0.00 WT3 O ATOM 44321 H1 TIP3 6752 -11.603 4.876 3.145 1.00 0.00 WT3 H ATOM 44322 H2 TIP3 6752 17.305 1.931 10.054 1.00 0.00 WT3 H ATOM 44323 OH2 TIP3 6753 3.973 0.306 -3.687 1.00 0.00 WT3 O ATOM 44324 H1 TIP3 6753 30.118 10.705 -36.933 1.00 0.00 WT3 H ATOM 44325 H2 TIP3 6753 5.336 1.492 14.817 1.00 0.00 WT3 H ATOM 44326 OH2 TIP3 6755 4.373 -6.980 7.918 1.00 0.00 WT3 O ATOM 44327 H1 TIP3 6755 -9.189 -11.708 -4.259 1.00 0.00 WT3 H ATOM 44328 H2 TIP3 6755 -36.633 11.103 -7.097 1.00 0.00 WT3 H ATOM 44329 OH2 TIP3 6757 8.296 8.917 -6.087 1.00 0.00 WT3 O ATOM 44330 H1 TIP3 6757 -5.265 13.536 -4.373 1.00 0.00 WT3 H ATOM 44331 H2 TIP3 6757 17.812 10.698 -21.921 1.00 0.00 WT3 H ATOM 44332 OH2 TIP3 6760 8.059 -8.098 3.313 1.00 0.00 WT3 O ATOM 44333 H1 TIP3 6760 -1.970 -7.677 -11.573 1.00 0.00 WT3 H ATOM 44334 H2 TIP3 6760 -0.874 -4.716 -6.060 1.00 0.00 WT3 H ATOM 44335 OH2 TIP3 6761 -4.385 5.280 0.388 1.00 0.00 WT3 O ATOM 44336 H1 TIP3 6761 -8.404 14.037 9.536 1.00 0.00 WT3 H ATOM 44337 H2 TIP3 6761 1.656 0.025 1.555 1.00 0.00 WT3 H ATOM 44338 OH2 TIP3 6762 3.982 3.357 -1.662 1.00 0.00 WT3 O ATOM 44339 H1 TIP3 6762 -1.507 2.847 -2.334 1.00 0.00 WT3 H ATOM 44340 H2 TIP3 6762 11.521 -31.144 -2.607 1.00 0.00 WT3 H ATOM 44341 OH2 TIP3 6763 -2.363 -1.193 -4.519 1.00 0.00 WT3 O ATOM 44342 H1 TIP3 6763 -6.646 -5.472 9.688 1.00 0.00 WT3 H ATOM 44343 H2 TIP3 6763 -0.024 20.451 1.207 1.00 0.00 WT3 H ATOM 44344 OH2 TIP3 6764 5.802 -2.701 -2.000 1.00 0.00 WT3 O ATOM 44345 H1 TIP3 6764 8.135 -3.412 -4.130 1.00 0.00 WT3 H ATOM 44346 H2 TIP3 6764 -12.040 21.170 2.436 1.00 0.00 WT3 H ATOM 44347 OH2 TIP3 6765 0.126 -2.812 -4.105 1.00 0.00 WT3 O ATOM 44348 H1 TIP3 6765 -9.601 0.806 13.100 1.00 0.00 WT3 H ATOM 44349 H2 TIP3 6765 11.198 -19.276 -7.168 1.00 0.00 WT3 H ATOM 44350 OH2 TIP3 6766 -3.889 5.318 11.865 1.00 0.00 WT3 O ATOM 44351 H1 TIP3 6766 19.186 22.301 -2.996 1.00 0.00 WT3 H ATOM 44352 H2 TIP3 6766 -5.719 25.509 0.912 1.00 0.00 WT3 H ATOM 44353 OH2 TIP3 6767 -2.769 0.879 -5.287 1.00 0.00 WT3 O ATOM 44354 H1 TIP3 6767 -3.938 -16.707 9.263 1.00 0.00 WT3 H ATOM 44355 H2 TIP3 6767 -14.354 8.958 -16.086 1.00 0.00 WT3 H ATOM 44356 OH2 TIP3 6769 0.473 -0.103 -5.340 1.00 0.00 WT3 O ATOM 44357 H1 TIP3 6769 -0.344 -0.281 -0.591 1.00 0.00 WT3 H ATOM 44358 H2 TIP3 6769 11.319 -4.500 -11.785 1.00 0.00 WT3 H ATOM 44359 OH2 TIP3 6770 -2.371 5.040 0.205 1.00 0.00 WT3 O ATOM 44360 H1 TIP3 6770 5.487 4.869 -6.736 1.00 0.00 WT3 H ATOM 44361 H2 TIP3 6770 -5.358 8.190 1.206 1.00 0.00 WT3 H ATOM 44362 OH2 TIP3 6771 5.897 -7.314 2.727 1.00 0.00 WT3 O ATOM 44363 H1 TIP3 6771 8.636 -2.743 3.990 1.00 0.00 WT3 H ATOM 44364 H2 TIP3 6771 -0.527 -16.138 -0.311 1.00 0.00 WT3 H ATOM 44365 OH2 TIP3 6772 1.489 0.439 -4.032 1.00 0.00 WT3 O ATOM 44366 H1 TIP3 6772 11.500 -10.249 -23.415 1.00 0.00 WT3 H ATOM 44367 H2 TIP3 6772 -0.238 -4.594 -11.400 1.00 0.00 WT3 H ATOM 44368 OH2 TIP3 6773 -1.511 5.903 -9.636 1.00 0.00 WT3 O ATOM 44369 H1 TIP3 6773 -9.250 37.015 23.023 1.00 0.00 WT3 H ATOM 44370 H2 TIP3 6773 1.920 15.186 -6.954 1.00 0.00 WT3 H ATOM 44371 OH2 TIP3 6774 5.639 -0.681 -2.743 1.00 0.00 WT3 O ATOM 44372 H1 TIP3 6774 14.265 -6.503 15.583 1.00 0.00 WT3 H ATOM 44373 H2 TIP3 6774 -8.554 7.361 7.593 1.00 0.00 WT3 H ATOM 44374 OH2 TIP3 6775 1.624 3.611 2.851 1.00 0.00 WT3 O ATOM 44375 H1 TIP3 6775 -23.331 19.037 -4.755 1.00 0.00 WT3 H ATOM 44376 H2 TIP3 6775 -21.506 12.919 0.608 1.00 0.00 WT3 H ATOM 44377 OH2 TIP3 6776 1.739 -5.355 6.473 1.00 0.00 WT3 O ATOM 44378 H1 TIP3 6776 -13.626 -9.743 7.004 1.00 0.00 WT3 H ATOM 44379 H2 TIP3 6776 19.158 14.822 -2.999 1.00 0.00 WT3 H ATOM 44380 OH2 TIP3 6778 -4.844 -3.067 0.514 1.00 0.00 WT3 O ATOM 44381 H1 TIP3 6778 -2.480 -9.382 -0.686 1.00 0.00 WT3 H ATOM 44382 H2 TIP3 6778 -2.774 -11.342 0.581 1.00 0.00 WT3 H ATOM 44383 OH2 TIP3 6779 3.776 -5.589 -2.501 1.00 0.00 WT3 O ATOM 44384 H1 TIP3 6779 24.575 6.717 -9.175 1.00 0.00 WT3 H ATOM 44385 H2 TIP3 6779 -2.735 -12.448 -4.066 1.00 0.00 WT3 H ATOM 44386 OH2 TIP3 6780 -5.202 -6.558 -0.244 1.00 0.00 WT3 O ATOM 44387 H1 TIP3 6780 -13.934 0.040 13.680 1.00 0.00 WT3 H ATOM 44388 H2 TIP3 6780 32.501 5.175 -5.855 1.00 0.00 WT3 H ATOM 44389 OH2 TIP3 6781 6.020 -4.500 4.569 1.00 0.00 WT3 O ATOM 44390 H1 TIP3 6781 3.011 -20.063 5.229 1.00 0.00 WT3 H ATOM 44391 H2 TIP3 6781 2.001 14.187 9.655 1.00 0.00 WT3 H ATOM 44392 OH2 TIP3 6782 3.395 1.290 0.715 1.00 0.00 WT3 O ATOM 44393 H1 TIP3 6782 -14.194 -11.631 -3.371 1.00 0.00 WT3 H ATOM 44394 H2 TIP3 6782 2.852 11.996 8.078 1.00 0.00 WT3 H ATOM 44395 OH2 TIP3 6783 -1.697 0.697 -5.689 1.00 0.00 WT3 O ATOM 44396 H1 TIP3 6783 -16.295 14.605 -21.797 1.00 0.00 WT3 H ATOM 44397 H2 TIP3 6783 -16.192 -5.837 15.863 1.00 0.00 WT3 H ATOM 44398 OH2 TIP3 6785 -2.707 1.868 -2.928 1.00 0.00 WT3 O ATOM 44399 H1 TIP3 6785 -7.539 -15.116 -3.274 1.00 0.00 WT3 H ATOM 44400 H2 TIP3 6785 -18.894 11.018 -0.250 1.00 0.00 WT3 H ATOM 44401 OH2 TIP3 6786 2.880 3.126 -4.766 1.00 0.00 WT3 O ATOM 44402 H1 TIP3 6786 -7.957 8.740 -15.090 1.00 0.00 WT3 H ATOM 44403 H2 TIP3 6786 -1.370 -0.225 -24.260 1.00 0.00 WT3 H ATOM 44404 OH2 TIP3 6787 7.639 -3.831 0.997 1.00 0.00 WT3 O ATOM 44405 H1 TIP3 6787 6.854 -14.711 -7.092 1.00 0.00 WT3 H ATOM 44406 H2 TIP3 6787 8.362 -4.719 3.026 1.00 0.00 WT3 H ATOM 44407 OH2 TIP3 6788 -2.404 6.720 4.620 1.00 0.00 WT3 O ATOM 44408 H1 TIP3 6788 -2.868 -5.274 -3.603 1.00 0.00 WT3 H ATOM 44409 H2 TIP3 6788 -1.913 22.260 1.280 1.00 0.00 WT3 H ATOM 44410 OH2 TIP3 6789 3.054 -5.265 4.315 1.00 0.00 WT3 O ATOM 44411 H1 TIP3 6789 -6.202 2.276 -23.858 1.00 0.00 WT3 H ATOM 44412 H2 TIP3 6789 -21.974 -2.979 21.616 1.00 0.00 WT3 H ATOM 44413 OH2 TIP3 6791 4.255 1.161 -6.400 1.00 0.00 WT3 O ATOM 44414 H1 TIP3 6791 -5.316 5.091 23.750 1.00 0.00 WT3 H ATOM 44415 H2 TIP3 6791 12.220 -13.223 -10.805 1.00 0.00 WT3 H ATOM 44416 OH2 TIP3 6792 -0.903 -2.561 -0.711 1.00 0.00 WT3 O ATOM 44417 H1 TIP3 6792 -9.900 -1.035 12.645 1.00 0.00 WT3 H ATOM 44418 H2 TIP3 6792 10.902 3.514 19.028 1.00 0.00 WT3 H ATOM 44419 OH2 TIP3 6794 0.151 -8.267 1.229 1.00 0.00 WT3 O ATOM 44420 H1 TIP3 6794 -6.326 -15.572 3.113 1.00 0.00 WT3 H ATOM 44421 H2 TIP3 6794 -1.409 26.424 -7.746 1.00 0.00 WT3 H ATOM 44422 OH2 TIP3 6795 1.138 5.210 2.925 1.00 0.00 WT3 O ATOM 44423 H1 TIP3 6795 2.667 9.226 -3.770 1.00 0.00 WT3 H ATOM 44424 H2 TIP3 6795 -14.116 -3.884 12.860 1.00 0.00 WT3 H ATOM 44425 OH2 TIP3 6799 -0.293 3.226 3.366 1.00 0.00 WT3 O ATOM 44426 H1 TIP3 6799 10.496 -4.751 -2.585 1.00 0.00 WT3 H ATOM 44427 H2 TIP3 6799 2.032 0.988 1.691 1.00 0.00 WT3 H ATOM 44428 OH2 TIP3 6800 -1.472 -6.107 -2.879 1.00 0.00 WT3 O ATOM 44429 H1 TIP3 6800 -1.755 8.076 24.677 1.00 0.00 WT3 H ATOM 44430 H2 TIP3 6800 -5.348 5.365 3.281 1.00 0.00 WT3 H ATOM 44431 OH2 TIP3 6802 -2.346 -6.327 -4.963 1.00 0.00 WT3 O ATOM 44432 H1 TIP3 6802 -3.982 -3.671 0.148 1.00 0.00 WT3 H ATOM 44433 H2 TIP3 6802 1.668 -11.075 -16.134 1.00 0.00 WT3 H ATOM 44434 OH2 TIP3 6803 -3.121 4.168 5.274 1.00 0.00 WT3 O ATOM 44435 H1 TIP3 6803 -10.833 3.203 3.484 1.00 0.00 WT3 H ATOM 44436 H2 TIP3 6803 -17.675 -13.443 8.018 1.00 0.00 WT3 H ATOM 44437 OH2 TIP3 6804 -0.076 -1.572 -2.500 1.00 0.00 WT3 O ATOM 44438 H1 TIP3 6804 -3.573 18.262 -7.655 1.00 0.00 WT3 H ATOM 44439 H2 TIP3 6804 5.100 1.223 -0.570 1.00 0.00 WT3 H ATOM 44440 OH2 TIP3 6806 -4.127 0.344 1.294 1.00 0.00 WT3 O ATOM 44441 H1 TIP3 6806 14.436 -3.552 -10.698 1.00 0.00 WT3 H ATOM 44442 H2 TIP3 6806 -10.796 3.965 -11.169 1.00 0.00 WT3 H ATOM 44443 OH2 TIP3 6808 7.451 -1.607 -3.738 1.00 0.00 WT3 O ATOM 44444 H1 TIP3 6808 -10.189 -25.898 -20.238 1.00 0.00 WT3 H ATOM 44445 H2 TIP3 6808 4.490 -10.680 -6.036 1.00 0.00 WT3 H ATOM 44446 OH2 TIP3 6813 1.756 -0.360 3.174 1.00 0.00 WT3 O ATOM 44447 H1 TIP3 6813 6.070 -4.969 -2.920 1.00 0.00 WT3 H ATOM 44448 H2 TIP3 6813 -0.927 -8.220 7.531 1.00 0.00 WT3 H ATOM 44449 OH2 TIP3 6814 -2.345 -0.478 5.287 1.00 0.00 WT3 O ATOM 44450 H1 TIP3 6814 16.974 -10.149 0.752 1.00 0.00 WT3 H ATOM 44451 H2 TIP3 6814 -3.001 -10.003 21.789 1.00 0.00 WT3 H ATOM 44452 OH2 TIP3 6817 -0.793 -0.955 2.996 1.00 0.00 WT3 O ATOM 44453 H1 TIP3 6817 -2.986 9.743 -7.998 1.00 0.00 WT3 H ATOM 44454 H2 TIP3 6817 -12.915 -6.982 2.703 1.00 0.00 WT3 H ATOM 44455 OH2 TIP3 6818 2.856 -5.673 -4.010 1.00 0.00 WT3 O ATOM 44456 H1 TIP3 6818 -1.272 -7.554 -2.520 1.00 0.00 WT3 H ATOM 44457 H2 TIP3 6818 4.738 -14.224 -12.691 1.00 0.00 WT3 H ATOM 44458 OH2 TIP3 6819 0.337 3.165 -0.293 1.00 0.00 WT3 O ATOM 44459 H1 TIP3 6819 13.452 -10.314 5.806 1.00 0.00 WT3 H ATOM 44460 H2 TIP3 6819 -5.015 11.024 18.361 1.00 0.00 WT3 H ATOM 44461 OH2 TIP3 6820 3.337 2.322 -1.558 1.00 0.00 WT3 O ATOM 44462 H1 TIP3 6820 0.023 -7.018 7.477 1.00 0.00 WT3 H ATOM 44463 H2 TIP3 6820 5.629 -5.065 -4.036 1.00 0.00 WT3 H ATOM 44464 OH2 TIP3 6823 6.072 -0.991 -1.469 1.00 0.00 WT3 O ATOM 44465 H1 TIP3 6823 7.147 19.034 -21.198 1.00 0.00 WT3 H ATOM 44466 H2 TIP3 6823 24.390 7.522 6.346 1.00 0.00 WT3 H ATOM 44467 OH2 TIP3 6824 -5.561 4.367 -3.741 1.00 0.00 WT3 O ATOM 44468 H1 TIP3 6824 21.061 13.127 -6.735 1.00 0.00 WT3 H ATOM 44469 H2 TIP3 6824 14.494 29.741 -17.226 1.00 0.00 WT3 H ATOM 44470 OH2 TIP3 6825 0.943 -1.807 -2.850 1.00 0.00 WT3 O ATOM 44471 H1 TIP3 6825 -2.840 14.761 0.170 1.00 0.00 WT3 H ATOM 44472 H2 TIP3 6825 -2.413 19.836 9.226 1.00 0.00 WT3 H ATOM 44473 OH2 TIP3 6826 -10.627 -0.185 -2.132 1.00 0.00 WT3 O ATOM 44474 H1 TIP3 6826 -16.506 1.121 4.969 1.00 0.00 WT3 H ATOM 44475 H2 TIP3 6826 2.718 -0.934 -15.304 1.00 0.00 WT3 H ATOM 44476 OH2 TIP3 6827 -8.926 -0.759 -0.164 1.00 0.00 WT3 O ATOM 44477 H1 TIP3 6827 1.044 10.999 0.727 1.00 0.00 WT3 H ATOM 44478 H2 TIP3 6827 -1.011 4.096 -5.669 1.00 0.00 WT3 H ATOM 44479 OH2 TIP3 6837 5.186 -5.260 2.733 1.00 0.00 WT3 O ATOM 44480 H1 TIP3 6837 -2.482 -16.406 14.869 1.00 0.00 WT3 H ATOM 44481 H2 TIP3 6837 5.273 10.814 12.213 1.00 0.00 WT3 H ATOM 44482 OH2 TIP3 6838 0.783 2.532 -3.521 1.00 0.00 WT3 O ATOM 44483 H1 TIP3 6838 -3.985 -24.168 11.132 1.00 0.00 WT3 H ATOM 44484 H2 TIP3 6838 8.067 20.426 -5.996 1.00 0.00 WT3 H ATOM 44485 OH2 TIP3 6841 -0.225 -4.460 1.049 1.00 0.00 WT3 O ATOM 44486 H1 TIP3 6841 -13.264 4.445 12.928 1.00 0.00 WT3 H ATOM 44487 H2 TIP3 6841 -3.745 -29.072 13.120 1.00 0.00 WT3 H ATOM 44488 OH2 TIP3 6842 -8.636 -4.145 2.200 1.00 0.00 WT3 O ATOM 44489 H1 TIP3 6842 -12.954 14.195 -0.123 1.00 0.00 WT3 H ATOM 44490 H2 TIP3 6842 1.731 -14.503 18.541 1.00 0.00 WT3 H ATOM 44491 OH2 TIP3 6843 2.477 4.509 3.126 1.00 0.00 WT3 O ATOM 44492 H1 TIP3 6843 -1.583 -10.448 -9.316 1.00 0.00 WT3 H ATOM 44493 H2 TIP3 6843 10.721 6.531 7.197 1.00 0.00 WT3 H ATOM 44494 OH2 TIP3 6845 4.262 0.408 3.140 1.00 0.00 WT3 O ATOM 44495 H1 TIP3 6845 18.729 12.392 -7.862 1.00 0.00 WT3 H ATOM 44496 H2 TIP3 6845 -1.772 -13.939 5.769 1.00 0.00 WT3 H ATOM 44497 OH2 TIP3 6853 10.988 -5.181 -1.399 1.00 0.00 WT3 O ATOM 44498 H1 TIP3 6853 -1.774 -12.747 14.836 1.00 0.00 WT3 H ATOM 44499 H2 TIP3 6853 2.119 -2.682 -15.978 1.00 0.00 WT3 H ATOM 44500 OH2 TIP3 6855 -5.169 -1.118 -6.888 1.00 0.00 WT3 O ATOM 44501 H1 TIP3 6855 -14.157 -7.323 -28.885 1.00 0.00 WT3 H ATOM 44502 H2 TIP3 6855 1.363 -17.346 -0.002 1.00 0.00 WT3 H ATOM 44503 OH2 TIP3 6857 -1.270 -2.992 2.245 1.00 0.00 WT3 O ATOM 44504 H1 TIP3 6857 -15.454 0.030 -2.279 1.00 0.00 WT3 H ATOM 44505 H2 TIP3 6857 7.620 -3.258 -5.943 1.00 0.00 WT3 H ATOM 44506 OH2 TIP3 6860 -1.245 -2.508 -3.608 1.00 0.00 WT3 O ATOM 44507 H1 TIP3 6860 -7.398 16.802 2.427 1.00 0.00 WT3 H ATOM 44508 H2 TIP3 6860 -1.576 4.116 -3.087 1.00 0.00 WT3 H ATOM 44509 OH2 TIP3 6863 1.363 1.702 -2.456 1.00 0.00 WT3 O ATOM 44510 H1 TIP3 6863 8.622 21.145 11.868 1.00 0.00 WT3 H ATOM 44511 H2 TIP3 6863 10.453 9.384 -3.775 1.00 0.00 WT3 H ATOM 44512 OH2 TIP3 6864 1.798 0.810 2.585 1.00 0.00 WT3 O ATOM 44513 H1 TIP3 6864 -11.796 0.970 5.440 1.00 0.00 WT3 H ATOM 44514 H2 TIP3 6864 2.102 3.641 -11.085 1.00 0.00 WT3 H ATOM 44515 OH2 TIP3 6865 3.930 2.821 0.398 1.00 0.00 WT3 O ATOM 44516 H1 TIP3 6865 -13.507 -0.627 6.850 1.00 0.00 WT3 H ATOM 44517 H2 TIP3 6865 -33.419 -6.171 4.820 1.00 0.00 WT3 H ATOM 44518 OH2 TIP3 6872 -2.369 1.078 -2.599 1.00 0.00 WT3 O ATOM 44519 H1 TIP3 6872 -6.402 12.510 1.406 1.00 0.00 WT3 H ATOM 44520 H2 TIP3 6872 -12.687 0.390 1.034 1.00 0.00 WT3 H ATOM 44521 OH2 TIP3 6877 -1.727 3.709 -2.026 1.00 0.00 WT3 O ATOM 44522 H1 TIP3 6877 1.809 0.063 -4.749 1.00 0.00 WT3 H ATOM 44523 H2 TIP3 6877 6.902 -6.559 -9.635 1.00 0.00 WT3 H ATOM 44524 OH2 TIP3 6878 1.997 -2.494 -2.351 1.00 0.00 WT3 O ATOM 44525 H1 TIP3 6878 -21.826 -1.557 2.190 1.00 0.00 WT3 H ATOM 44526 H2 TIP3 6878 -3.946 -3.356 -0.815 1.00 0.00 WT3 H ATOM 44527 OH2 TIP3 6881 11.463 0.922 -0.105 1.00 0.00 WT3 O ATOM 44528 H1 TIP3 6881 0.215 -5.626 -0.403 1.00 0.00 WT3 H ATOM 44529 H2 TIP3 6881 -4.370 -6.040 3.738 1.00 0.00 WT3 H ATOM 44530 OH2 TIP3 6892 4.016 -5.382 2.352 1.00 0.00 WT3 O ATOM 44531 H1 TIP3 6892 4.474 -5.337 26.521 1.00 0.00 WT3 H ATOM 44532 H2 TIP3 6892 9.050 5.706 -18.852 1.00 0.00 WT3 H ATOM 44533 OH2 TIP3 6895 0.245 -2.591 3.658 1.00 0.00 WT3 O ATOM 44534 H1 TIP3 6895 5.149 -5.021 7.844 1.00 0.00 WT3 H ATOM 44535 H2 TIP3 6895 -0.619 6.596 -2.915 1.00 0.00 WT3 H ATOM 44536 OH2 TIP3 6896 6.071 -6.717 1.483 1.00 0.00 WT3 O ATOM 44537 H1 TIP3 6896 -1.136 7.556 -0.666 1.00 0.00 WT3 H ATOM 44538 H2 TIP3 6896 5.761 13.533 7.435 1.00 0.00 WT3 H ATOM 44539 OH2 TIP3 6909 3.426 2.011 -4.324 1.00 0.00 WT3 O ATOM 44540 H1 TIP3 6909 -2.416 -5.226 -25.949 1.00 0.00 WT3 H ATOM 44541 H2 TIP3 6909 -6.062 -16.473 0.778 1.00 0.00 WT3 H ATOM 44542 OH2 TIP3 6916 -0.938 -1.939 4.285 1.00 0.00 WT3 O ATOM 44543 H1 TIP3 6916 10.026 22.388 -13.233 1.00 0.00 WT3 H ATOM 44544 H2 TIP3 6916 6.192 9.063 -2.800 1.00 0.00 WT3 H ATOM 44545 OH2 TIP3 6921 2.760 -3.271 4.869 1.00 0.00 WT3 O ATOM 44546 H1 TIP3 6921 15.028 -5.671 0.055 1.00 0.00 WT3 H ATOM 44547 H2 TIP3 6921 2.659 5.122 -8.711 1.00 0.00 WT3 H ATOM 44548 OH2 TIP3 6952 0.192 3.125 -0.157 1.00 0.00 WT3 O ATOM 44549 H1 TIP3 6952 4.933 15.500 -2.844 1.00 0.00 WT3 H ATOM 44550 H2 TIP3 6952 -10.988 1.841 -8.039 1.00 0.00 WT3 H ATOM 44551 OH2 TIP3 6953 0.138 1.556 -6.807 1.00 0.00 WT3 O ATOM 44552 H1 TIP3 6953 5.498 5.400 -17.519 1.00 0.00 WT3 H ATOM 44553 H2 TIP3 6953 6.066 -5.683 3.470 1.00 0.00 WT3 H ATOM 44554 OH2 TIP3 6955 2.245 0.404 -0.642 1.00 0.00 WT3 O ATOM 44555 H1 TIP3 6955 -3.689 -5.501 -3.124 1.00 0.00 WT3 H ATOM 44556 H2 TIP3 6955 26.112 2.158 1.415 1.00 0.00 WT3 H ATOM 44557 OH2 TIP3 6967 0.235 -3.611 -6.832 1.00 0.00 WT3 O ATOM 44558 H1 TIP3 6967 -1.771 0.884 -8.089 1.00 0.00 WT3 H ATOM 44559 H2 TIP3 6967 0.157 -4.293 -5.309 1.00 0.00 WT3 H ATOM 44560 OH2 TIP3 6976 -1.237 -1.230 -0.187 1.00 0.00 WT3 O ATOM 44561 H1 TIP3 6976 -4.131 -15.699 -13.102 1.00 0.00 WT3 H ATOM 44562 H2 TIP3 6976 -3.551 -14.421 7.078 1.00 0.00 WT3 H ATOM 44563 OH2 TIP3 6979 -5.343 -2.746 -6.219 1.00 0.00 WT3 O ATOM 44564 H1 TIP3 6979 -5.785 -16.810 4.664 1.00 0.00 WT3 H ATOM 44565 H2 TIP3 6979 -7.348 15.917 -11.556 1.00 0.00 WT3 H ATOM 44566 OH2 TIP3 6988 -4.037 3.827 -4.876 1.00 0.00 WT3 O ATOM 44567 H1 TIP3 6988 -5.274 0.416 12.004 1.00 0.00 WT3 H ATOM 44568 H2 TIP3 6988 -13.737 -20.615 -17.064 1.00 0.00 WT3 H ATOM 44569 OH2 TIP3 6994 -4.301 2.280 -2.471 1.00 0.00 WT3 O ATOM 44570 H1 TIP3 6994 17.668 -9.625 -14.941 1.00 0.00 WT3 H ATOM 44571 H2 TIP3 6994 14.873 32.216 28.779 1.00 0.00 WT3 H ATOM 44572 OH2 TIP3 7003 -0.468 -0.377 3.641 1.00 0.00 WT3 O ATOM 44573 H1 TIP3 7003 -15.059 -14.305 -10.526 1.00 0.00 WT3 H ATOM 44574 H2 TIP3 7003 17.869 -14.987 9.731 1.00 0.00 WT3 H ATOM 44575 OH2 TIP3 7012 -1.125 0.342 -0.804 1.00 0.00 WT3 O ATOM 44576 H1 TIP3 7012 29.023 -3.319 -1.687 1.00 0.00 WT3 H ATOM 44577 H2 TIP3 7012 -2.711 6.323 0.106 1.00 0.00 WT3 H ATOM 44578 OH2 TIP3 7016 -7.906 -4.613 0.410 1.00 0.00 WT3 O ATOM 44579 H1 TIP3 7016 -4.930 -9.468 -13.926 1.00 0.00 WT3 H ATOM 44580 H2 TIP3 7016 -18.515 -4.421 -3.365 1.00 0.00 WT3 H ATOM 44581 OH2 TIP3 7017 6.149 2.364 -2.824 1.00 0.00 WT3 O ATOM 44582 H1 TIP3 7017 6.061 2.534 -12.417 1.00 0.00 WT3 H ATOM 44583 H2 TIP3 7017 -6.943 -6.423 8.716 1.00 0.00 WT3 H ATOM 44584 OH2 TIP3 7019 0.015 2.185 8.787 1.00 0.00 WT3 O ATOM 44585 H1 TIP3 7019 -11.775 16.134 1.242 1.00 0.00 WT3 H ATOM 44586 H2 TIP3 7019 -3.732 -10.268 9.712 1.00 0.00 WT3 H ATOM 44587 OH2 TIP3 7020 -3.640 0.159 -2.656 1.00 0.00 WT3 O ATOM 44588 H1 TIP3 7020 23.518 -11.579 30.900 1.00 0.00 WT3 H ATOM 44589 H2 TIP3 7020 -6.330 11.932 -7.477 1.00 0.00 WT3 H ATOM 44590 OH2 TIP3 7021 -5.917 -2.967 -3.765 1.00 0.00 WT3 O ATOM 44591 H1 TIP3 7021 -8.085 -15.060 2.642 1.00 0.00 WT3 H ATOM 44592 H2 TIP3 7021 7.518 0.415 0.740 1.00 0.00 WT3 H ATOM 44593 OH2 TIP3 7023 3.890 -0.755 -0.709 1.00 0.00 WT3 O ATOM 44594 H1 TIP3 7023 -14.255 -26.359 1.600 1.00 0.00 WT3 H ATOM 44595 H2 TIP3 7023 -20.386 -27.819 -0.826 1.00 0.00 WT3 H ATOM 44596 OH2 TIP3 7027 -5.071 0.159 -2.857 1.00 0.00 WT3 O ATOM 44597 H1 TIP3 7027 -7.006 14.764 -12.245 1.00 0.00 WT3 H ATOM 44598 H2 TIP3 7027 2.076 -12.513 -12.899 1.00 0.00 WT3 H ATOM 44599 OH2 TIP3 7029 5.471 6.347 -4.439 1.00 0.00 WT3 O ATOM 44600 H1 TIP3 7029 7.082 7.822 -10.049 1.00 0.00 WT3 H ATOM 44601 H2 TIP3 7029 0.513 9.156 -4.025 1.00 0.00 WT3 H ATOM 44602 OH2 TIP3 7040 0.125 -5.776 -3.607 1.00 0.00 WT3 O ATOM 44603 H1 TIP3 7040 30.004 -3.137 10.453 1.00 0.00 WT3 H ATOM 44604 H2 TIP3 7040 10.792 -8.663 18.617 1.00 0.00 WT3 H ATOM 44605 OH2 TIP3 7041 -3.196 1.822 -2.870 1.00 0.00 WT3 O ATOM 44606 H1 TIP3 7041 -4.942 -4.994 -4.441 1.00 0.00 WT3 H ATOM 44607 H2 TIP3 7041 3.124 1.775 -5.641 1.00 0.00 WT3 H ATOM 44608 OH2 TIP3 7042 -4.737 5.336 5.702 1.00 0.00 WT3 O ATOM 44609 H1 TIP3 7042 3.459 -14.278 5.071 1.00 0.00 WT3 H ATOM 44610 H2 TIP3 7042 16.388 27.771 20.861 1.00 0.00 WT3 H ATOM 44611 OH2 TIP3 7043 -3.451 -2.458 -3.537 1.00 0.00 WT3 O ATOM 44612 H1 TIP3 7043 -5.273 0.067 -14.112 1.00 0.00 WT3 H ATOM 44613 H2 TIP3 7043 1.060 9.805 12.247 1.00 0.00 WT3 H ATOM 44614 OH2 TIP3 7048 -1.097 -2.593 6.761 1.00 0.00 WT3 O ATOM 44615 H1 TIP3 7048 -18.020 -2.283 11.028 1.00 0.00 WT3 H ATOM 44616 H2 TIP3 7048 2.581 -4.238 -11.184 1.00 0.00 WT3 H ATOM 44617 OH2 TIP3 7050 3.414 -2.384 -0.086 1.00 0.00 WT3 O ATOM 44618 H1 TIP3 7050 4.573 -4.497 0.334 1.00 0.00 WT3 H ATOM 44619 H2 TIP3 7050 2.519 -21.202 6.729 1.00 0.00 WT3 H ATOM 44620 OH2 TIP3 7051 0.818 2.647 -9.478 1.00 0.00 WT3 O ATOM 44621 H1 TIP3 7051 7.555 22.801 -9.833 1.00 0.00 WT3 H ATOM 44622 H2 TIP3 7051 0.271 -0.248 -9.646 1.00 0.00 WT3 H ATOM 44623 OH2 TIP3 7052 -1.590 0.600 -6.576 1.00 0.00 WT3 O ATOM 44624 H1 TIP3 7052 -6.238 1.807 -31.592 1.00 0.00 WT3 H ATOM 44625 H2 TIP3 7052 25.235 18.558 -13.471 1.00 0.00 WT3 H ATOM 44626 OH2 TIP3 7053 0.751 -3.530 -0.867 1.00 0.00 WT3 O ATOM 44627 H1 TIP3 7053 -4.567 6.480 -3.574 1.00 0.00 WT3 H ATOM 44628 H2 TIP3 7053 10.897 -4.011 0.205 1.00 0.00 WT3 H ATOM 44629 OH2 TIP3 7054 -2.871 5.121 1.849 1.00 0.00 WT3 O ATOM 44630 H1 TIP3 7054 -5.028 5.131 -1.694 1.00 0.00 WT3 H ATOM 44631 H2 TIP3 7054 -0.809 1.952 2.305 1.00 0.00 WT3 H ATOM 44632 OH2 TIP3 7056 -1.522 0.006 -0.734 1.00 0.00 WT3 O ATOM 44633 H1 TIP3 7056 -2.729 -8.379 2.140 1.00 0.00 WT3 H ATOM 44634 H2 TIP3 7056 -19.826 11.765 -3.243 1.00 0.00 WT3 H ATOM 44635 OH2 TIP3 7058 1.954 -5.341 -2.802 1.00 0.00 WT3 O ATOM 44636 H1 TIP3 7058 3.763 -6.760 -0.477 1.00 0.00 WT3 H ATOM 44637 H2 TIP3 7058 -23.367 7.827 -25.203 1.00 0.00 WT3 H ATOM 44638 OH2 TIP3 7059 3.385 1.397 -2.752 1.00 0.00 WT3 O ATOM 44639 H1 TIP3 7059 6.761 4.772 16.368 1.00 0.00 WT3 H ATOM 44640 H2 TIP3 7059 -1.242 5.065 -1.410 1.00 0.00 WT3 H ATOM 44641 OH2 TIP3 7060 1.497 0.466 2.657 1.00 0.00 WT3 O ATOM 44642 H1 TIP3 7060 12.794 -7.432 -9.549 1.00 0.00 WT3 H ATOM 44643 H2 TIP3 7060 1.388 -3.484 4.460 1.00 0.00 WT3 H ATOM 44644 OH2 TIP3 7062 5.928 -1.693 -1.909 1.00 0.00 WT3 O ATOM 44645 H1 TIP3 7062 9.254 3.172 -11.216 1.00 0.00 WT3 H ATOM 44646 H2 TIP3 7062 16.314 9.844 -13.341 1.00 0.00 WT3 H ATOM 44647 OH2 TIP3 7063 -1.964 5.268 -5.578 1.00 0.00 WT3 O ATOM 44648 H1 TIP3 7063 -27.347 6.816 -7.702 1.00 0.00 WT3 H ATOM 44649 H2 TIP3 7063 11.459 17.516 -0.754 1.00 0.00 WT3 H ATOM 44650 OH2 TIP3 7065 -2.168 1.877 3.391 1.00 0.00 WT3 O ATOM 44651 H1 TIP3 7065 -21.430 -10.175 12.696 1.00 0.00 WT3 H ATOM 44652 H2 TIP3 7065 -14.480 9.921 -0.111 1.00 0.00 WT3 H ATOM 44653 OH2 TIP3 7069 -2.413 -0.501 0.884 1.00 0.00 WT3 O ATOM 44654 H1 TIP3 7069 18.945 -3.250 -3.039 1.00 0.00 WT3 H ATOM 44655 H2 TIP3 7069 -18.102 -7.891 10.611 1.00 0.00 WT3 H ATOM 44656 OH2 TIP3 7071 5.267 3.698 -5.597 1.00 0.00 WT3 O ATOM 44657 H1 TIP3 7071 -16.973 -2.559 -16.634 1.00 0.00 WT3 H ATOM 44658 H2 TIP3 7071 26.649 5.796 -12.005 1.00 0.00 WT3 H ATOM 44659 OH2 TIP3 7073 -9.622 4.907 -1.162 1.00 0.00 WT3 O ATOM 44660 H1 TIP3 7073 -6.808 14.387 12.214 1.00 0.00 WT3 H ATOM 44661 H2 TIP3 7073 -0.929 -0.696 -0.129 1.00 0.00 WT3 H ATOM 44662 OH2 TIP3 7074 2.783 1.191 4.135 1.00 0.00 WT3 O ATOM 44663 H1 TIP3 7074 -10.037 14.476 -10.979 1.00 0.00 WT3 H ATOM 44664 H2 TIP3 7074 23.402 -14.529 -7.916 1.00 0.00 WT3 H ATOM 44665 OH2 TIP3 7075 0.014 4.897 2.614 1.00 0.00 WT3 O ATOM 44666 H1 TIP3 7075 6.119 17.934 -5.587 1.00 0.00 WT3 H ATOM 44667 H2 TIP3 7075 4.972 -3.220 7.759 1.00 0.00 WT3 H ATOM 44668 OH2 TIP3 7076 2.181 -1.532 2.838 1.00 0.00 WT3 O ATOM 44669 H1 TIP3 7076 13.945 9.295 7.361 1.00 0.00 WT3 H ATOM 44670 H2 TIP3 7076 9.146 -11.139 -0.146 1.00 0.00 WT3 H ATOM 44671 OH2 TIP3 7077 1.172 -5.601 -5.187 1.00 0.00 WT3 O ATOM 44672 H1 TIP3 7077 12.397 -12.115 7.813 1.00 0.00 WT3 H ATOM 44673 H2 TIP3 7077 23.071 -14.674 17.954 1.00 0.00 WT3 H ATOM 44674 OH2 TIP3 7078 -2.770 -5.074 9.935 1.00 0.00 WT3 O ATOM 44675 H1 TIP3 7078 -10.280 -2.582 -9.125 1.00 0.00 WT3 H ATOM 44676 H2 TIP3 7078 27.003 7.758 1.738 1.00 0.00 WT3 H ATOM 44677 OH2 TIP3 7079 -0.892 5.425 5.538 1.00 0.00 WT3 O ATOM 44678 H1 TIP3 7079 -7.806 2.062 6.460 1.00 0.00 WT3 H ATOM 44679 H2 TIP3 7079 4.845 2.899 8.071 1.00 0.00 WT3 H ATOM 44680 OH2 TIP3 7081 -3.974 -2.226 -3.438 1.00 0.00 WT3 O ATOM 44681 H1 TIP3 7081 -7.203 -4.865 -14.371 1.00 0.00 WT3 H ATOM 44682 H2 TIP3 7081 5.865 -1.992 -1.358 1.00 0.00 WT3 H ATOM 44683 OH2 TIP3 7082 -2.965 -1.866 6.943 1.00 0.00 WT3 O ATOM 44684 H1 TIP3 7082 9.748 3.566 9.897 1.00 0.00 WT3 H ATOM 44685 H2 TIP3 7082 -8.475 8.005 13.639 1.00 0.00 WT3 H ATOM 44686 OH2 TIP3 7086 4.646 -4.358 1.437 1.00 0.00 WT3 O ATOM 44687 H1 TIP3 7086 -7.263 -3.811 -4.692 1.00 0.00 WT3 H ATOM 44688 H2 TIP3 7086 -6.717 -7.079 -24.394 1.00 0.00 WT3 H ATOM 44689 OH2 TIP3 7088 -1.345 2.006 -2.597 1.00 0.00 WT3 O ATOM 44690 H1 TIP3 7088 -11.808 -1.797 15.855 1.00 0.00 WT3 H ATOM 44691 H2 TIP3 7088 1.080 5.596 -13.365 1.00 0.00 WT3 H ATOM 44692 OH2 TIP3 7089 -3.676 1.357 3.346 1.00 0.00 WT3 O ATOM 44693 H1 TIP3 7089 5.318 -2.765 -12.598 1.00 0.00 WT3 H ATOM 44694 H2 TIP3 7089 8.786 11.687 -8.485 1.00 0.00 WT3 H ATOM 44695 OH2 TIP3 7090 2.068 -7.667 -3.224 1.00 0.00 WT3 O ATOM 44696 H1 TIP3 7090 0.886 -12.922 12.953 1.00 0.00 WT3 H ATOM 44697 H2 TIP3 7090 3.127 -0.583 -31.015 1.00 0.00 WT3 H ATOM 44698 OH2 TIP3 7091 -3.540 -7.595 -1.270 1.00 0.00 WT3 O ATOM 44699 H1 TIP3 7091 -2.299 -15.125 -3.995 1.00 0.00 WT3 H ATOM 44700 H2 TIP3 7091 -10.939 -13.158 -5.789 1.00 0.00 WT3 H ATOM 44701 OH2 TIP3 7092 -4.064 0.096 0.490 1.00 0.00 WT3 O ATOM 44702 H1 TIP3 7092 -3.216 -1.590 -22.403 1.00 0.00 WT3 H ATOM 44703 H2 TIP3 7092 -25.221 -1.773 6.042 1.00 0.00 WT3 H ATOM 44704 OH2 TIP3 7095 -3.155 -2.906 0.383 1.00 0.00 WT3 O ATOM 44705 H1 TIP3 7095 -0.446 -3.909 4.770 1.00 0.00 WT3 H ATOM 44706 H2 TIP3 7095 -5.327 17.114 17.518 1.00 0.00 WT3 H ATOM 44707 OH2 TIP3 7096 4.132 7.541 -3.317 1.00 0.00 WT3 O ATOM 44708 H1 TIP3 7096 4.382 1.368 -8.437 1.00 0.00 WT3 H ATOM 44709 H2 TIP3 7096 15.549 -14.246 -4.571 1.00 0.00 WT3 H ATOM 44710 OH2 TIP3 7097 -3.120 5.401 2.164 1.00 0.00 WT3 O ATOM 44711 H1 TIP3 7097 5.773 -5.061 11.116 1.00 0.00 WT3 H ATOM 44712 H2 TIP3 7097 -4.226 -26.389 8.036 1.00 0.00 WT3 H ATOM 44713 OH2 TIP3 7098 2.334 0.583 -3.542 1.00 0.00 WT3 O ATOM 44714 H1 TIP3 7098 2.023 0.234 1.264 1.00 0.00 WT3 H ATOM 44715 H2 TIP3 7098 9.158 8.245 1.983 1.00 0.00 WT3 H ATOM 44716 OH2 TIP3 7099 -0.403 0.876 -1.986 1.00 0.00 WT3 O ATOM 44717 H1 TIP3 7099 -1.497 -8.611 -0.566 1.00 0.00 WT3 H ATOM 44718 H2 TIP3 7099 -3.571 9.343 -2.444 1.00 0.00 WT3 H ATOM 44719 OH2 TIP3 7101 1.686 -0.475 2.513 1.00 0.00 WT3 O ATOM 44720 H1 TIP3 7101 -16.851 -3.304 -7.113 1.00 0.00 WT3 H ATOM 44721 H2 TIP3 7101 5.087 -17.674 18.477 1.00 0.00 WT3 H ATOM 44722 OH2 TIP3 7102 -1.193 -0.424 1.329 1.00 0.00 WT3 O ATOM 44723 H1 TIP3 7102 -11.327 1.748 5.201 1.00 0.00 WT3 H ATOM 44724 H2 TIP3 7102 -3.726 -11.322 11.902 1.00 0.00 WT3 H ATOM 44725 OH2 TIP3 7103 1.245 -4.770 -5.662 1.00 0.00 WT3 O ATOM 44726 H1 TIP3 7103 16.718 -3.569 5.141 1.00 0.00 WT3 H ATOM 44727 H2 TIP3 7103 -11.179 -4.666 6.048 1.00 0.00 WT3 H ATOM 44728 OH2 TIP3 7104 -0.422 4.306 -0.098 1.00 0.00 WT3 O ATOM 44729 H1 TIP3 7104 2.856 -4.201 -1.520 1.00 0.00 WT3 H ATOM 44730 H2 TIP3 7104 2.621 22.074 0.163 1.00 0.00 WT3 H ATOM 44731 OH2 TIP3 7106 -2.272 2.279 3.952 1.00 0.00 WT3 O ATOM 44732 H1 TIP3 7106 3.617 -2.853 -6.151 1.00 0.00 WT3 H ATOM 44733 H2 TIP3 7106 -17.957 -20.141 3.053 1.00 0.00 WT3 H ATOM 44734 OH2 TIP3 7111 -1.609 -4.905 -4.987 1.00 0.00 WT3 O ATOM 44735 H1 TIP3 7111 -13.906 -13.792 3.340 1.00 0.00 WT3 H ATOM 44736 H2 TIP3 7111 -4.625 -34.091 -0.300 1.00 0.00 WT3 H ATOM 44737 OH2 TIP3 7113 -4.785 -5.432 -1.353 1.00 0.00 WT3 O ATOM 44738 H1 TIP3 7113 -3.956 2.460 -8.777 1.00 0.00 WT3 H ATOM 44739 H2 TIP3 7113 -18.697 -5.896 5.414 1.00 0.00 WT3 H ATOM 44740 OH2 TIP3 7114 2.711 -3.007 2.443 1.00 0.00 WT3 O ATOM 44741 H1 TIP3 7114 5.252 -11.063 -10.678 1.00 0.00 WT3 H ATOM 44742 H2 TIP3 7114 1.522 18.460 -16.299 1.00 0.00 WT3 H ATOM 44743 OH2 TIP3 7115 5.621 0.990 -4.940 1.00 0.00 WT3 O ATOM 44744 H1 TIP3 7115 2.549 -27.966 -7.518 1.00 0.00 WT3 H ATOM 44745 H2 TIP3 7115 -17.834 4.294 9.826 1.00 0.00 WT3 H ATOM 44746 OH2 TIP3 7117 -3.992 -2.871 4.396 1.00 0.00 WT3 O ATOM 44747 H1 TIP3 7117 -6.602 -4.162 11.458 1.00 0.00 WT3 H ATOM 44748 H2 TIP3 7117 -0.351 -14.161 8.378 1.00 0.00 WT3 H ATOM 44749 OH2 TIP3 7118 0.100 0.945 -5.933 1.00 0.00 WT3 O ATOM 44750 H1 TIP3 7118 1.600 0.268 -3.645 1.00 0.00 WT3 H ATOM 44751 H2 TIP3 7118 -3.872 4.157 -2.096 1.00 0.00 WT3 H ATOM 44752 OH2 TIP3 7119 1.230 -7.526 -0.293 1.00 0.00 WT3 O ATOM 44753 H1 TIP3 7119 4.132 -12.047 -1.129 1.00 0.00 WT3 H ATOM 44754 H2 TIP3 7119 5.617 -8.469 -8.533 1.00 0.00 WT3 H ATOM 44755 OH2 TIP3 7120 -5.357 3.726 2.093 1.00 0.00 WT3 O ATOM 44756 H1 TIP3 7120 -6.991 2.181 -0.887 1.00 0.00 WT3 H ATOM 44757 H2 TIP3 7120 8.608 -4.328 -24.695 1.00 0.00 WT3 H ATOM 44758 OH2 TIP3 7121 1.152 -2.447 1.768 1.00 0.00 WT3 O ATOM 44759 H1 TIP3 7121 3.880 6.761 13.471 1.00 0.00 WT3 H ATOM 44760 H2 TIP3 7121 4.258 11.173 14.410 1.00 0.00 WT3 H ATOM 44761 OH2 TIP3 7122 6.935 -4.362 0.662 1.00 0.00 WT3 O ATOM 44762 H1 TIP3 7122 9.003 -8.662 5.157 1.00 0.00 WT3 H ATOM 44763 H2 TIP3 7122 12.025 -1.723 5.902 1.00 0.00 WT3 H ATOM 44764 OH2 TIP3 7123 6.500 -0.840 1.158 1.00 0.00 WT3 O ATOM 44765 H1 TIP3 7123 9.623 -10.219 -12.784 1.00 0.00 WT3 H ATOM 44766 H2 TIP3 7123 4.501 15.325 21.701 1.00 0.00 WT3 H ATOM 44767 OH2 TIP3 7126 6.602 -4.882 1.363 1.00 0.00 WT3 O ATOM 44768 H1 TIP3 7126 14.978 3.836 -1.806 1.00 0.00 WT3 H ATOM 44769 H2 TIP3 7126 8.051 -18.378 13.718 1.00 0.00 WT3 H ATOM 44770 OH2 TIP3 7127 2.434 -1.843 -2.087 1.00 0.00 WT3 O ATOM 44771 H1 TIP3 7127 -4.187 -19.951 19.607 1.00 0.00 WT3 H ATOM 44772 H2 TIP3 7127 13.813 23.742 3.560 1.00 0.00 WT3 H ATOM 44773 OH2 TIP3 7128 1.270 -1.924 1.414 1.00 0.00 WT3 O ATOM 44774 H1 TIP3 7128 -3.543 6.035 -7.777 1.00 0.00 WT3 H ATOM 44775 H2 TIP3 7128 7.341 5.821 -4.470 1.00 0.00 WT3 H ATOM 44776 OH2 TIP3 7129 0.186 -1.064 0.518 1.00 0.00 WT3 O ATOM 44777 H1 TIP3 7129 -15.929 -0.867 5.292 1.00 0.00 WT3 H ATOM 44778 H2 TIP3 7129 4.595 2.221 -6.905 1.00 0.00 WT3 H ATOM 44779 OH2 TIP3 7131 2.316 6.405 -1.843 1.00 0.00 WT3 O ATOM 44780 H1 TIP3 7131 -0.571 -3.088 -1.624 1.00 0.00 WT3 H ATOM 44781 H2 TIP3 7131 -4.670 -18.956 -1.125 1.00 0.00 WT3 H ATOM 44782 OH2 TIP3 7133 10.784 -0.173 0.513 1.00 0.00 WT3 O ATOM 44783 H1 TIP3 7133 -7.251 1.964 -4.586 1.00 0.00 WT3 H ATOM 44784 H2 TIP3 7133 14.517 -3.025 1.126 1.00 0.00 WT3 H ATOM 44785 OH2 TIP3 7134 2.727 0.223 0.106 1.00 0.00 WT3 O ATOM 44786 H1 TIP3 7134 -18.569 -13.443 -5.973 1.00 0.00 WT3 H ATOM 44787 H2 TIP3 7134 -0.677 1.315 -10.125 1.00 0.00 WT3 H ATOM 44788 OH2 TIP3 7135 -5.061 6.853 2.629 1.00 0.00 WT3 O ATOM 44789 H1 TIP3 7135 -7.505 2.732 -9.053 1.00 0.00 WT3 H ATOM 44790 H2 TIP3 7135 -4.192 3.110 3.016 1.00 0.00 WT3 H ATOM 44791 OH2 TIP3 7136 -5.269 0.152 -2.142 1.00 0.00 WT3 O ATOM 44792 H1 TIP3 7136 -3.693 -1.451 -2.935 1.00 0.00 WT3 H ATOM 44793 H2 TIP3 7136 -3.036 -3.512 -3.833 1.00 0.00 WT3 H ATOM 44794 OH2 TIP3 7137 1.798 -0.554 -1.864 1.00 0.00 WT3 O ATOM 44795 H1 TIP3 7137 -18.497 12.271 -12.034 1.00 0.00 WT3 H ATOM 44796 H2 TIP3 7137 -4.112 5.236 22.060 1.00 0.00 WT3 H ATOM 44797 OH2 TIP3 7139 1.915 3.227 1.022 1.00 0.00 WT3 O ATOM 44798 H1 TIP3 7139 14.613 -2.768 -4.788 1.00 0.00 WT3 H ATOM 44799 H2 TIP3 7139 20.425 -12.417 -11.254 1.00 0.00 WT3 H ATOM 44800 OH2 TIP3 7140 -0.759 1.332 0.784 1.00 0.00 WT3 O ATOM 44801 H1 TIP3 7140 0.710 4.440 -4.885 1.00 0.00 WT3 H ATOM 44802 H2 TIP3 7140 14.379 -2.792 8.362 1.00 0.00 WT3 H ATOM 44803 OH2 TIP3 7141 0.302 -4.990 -3.603 1.00 0.00 WT3 O ATOM 44804 H1 TIP3 7141 9.322 4.993 -11.690 1.00 0.00 WT3 H ATOM 44805 H2 TIP3 7141 -1.063 4.038 -3.611 1.00 0.00 WT3 H ATOM 44806 OH2 TIP3 7142 -5.389 -0.209 -0.713 1.00 0.00 WT3 O ATOM 44807 H1 TIP3 7142 -17.594 8.001 -0.052 1.00 0.00 WT3 H ATOM 44808 H2 TIP3 7142 -7.841 -10.833 4.521 1.00 0.00 WT3 H ATOM 44809 OH2 TIP3 7143 0.377 1.140 1.013 1.00 0.00 WT3 O ATOM 44810 H1 TIP3 7143 5.625 29.172 -12.309 1.00 0.00 WT3 H ATOM 44811 H2 TIP3 7143 15.636 13.456 -13.821 1.00 0.00 WT3 H ATOM 44812 OH2 TIP3 7144 -0.451 -6.390 2.409 1.00 0.00 WT3 O ATOM 44813 H1 TIP3 7144 8.779 -3.922 1.881 1.00 0.00 WT3 H ATOM 44814 H2 TIP3 7144 21.596 10.289 -4.351 1.00 0.00 WT3 H ATOM 44815 OH2 TIP3 7145 6.885 2.432 1.466 1.00 0.00 WT3 O ATOM 44816 H1 TIP3 7145 4.687 0.444 2.947 1.00 0.00 WT3 H ATOM 44817 H2 TIP3 7145 -2.900 12.926 -9.715 1.00 0.00 WT3 H ATOM 44818 OH2 TIP3 7146 -1.632 2.064 -0.145 1.00 0.00 WT3 O ATOM 44819 H1 TIP3 7146 -6.256 27.655 -14.761 1.00 0.00 WT3 H ATOM 44820 H2 TIP3 7146 -7.150 18.963 -2.245 1.00 0.00 WT3 H ATOM 44821 OH2 TIP3 7147 1.102 6.965 -4.023 1.00 0.00 WT3 O ATOM 44822 H1 TIP3 7147 -7.015 10.549 14.213 1.00 0.00 WT3 H ATOM 44823 H2 TIP3 7147 -18.927 -11.177 -18.250 1.00 0.00 WT3 H ATOM 44824 OH2 TIP3 7148 2.300 3.735 -3.111 1.00 0.00 WT3 O ATOM 44825 H1 TIP3 7148 -5.325 -0.580 2.015 1.00 0.00 WT3 H ATOM 44826 H2 TIP3 7148 -4.829 3.182 -10.786 1.00 0.00 WT3 H ATOM 44827 OH2 TIP3 7150 -1.473 4.020 1.357 1.00 0.00 WT3 O ATOM 44828 H1 TIP3 7150 -5.192 3.188 -2.283 1.00 0.00 WT3 H ATOM 44829 H2 TIP3 7150 2.656 14.148 10.199 1.00 0.00 WT3 H ATOM 44830 OH2 TIP3 7152 -1.620 -0.485 4.692 1.00 0.00 WT3 O ATOM 44831 H1 TIP3 7152 -3.662 -4.889 9.213 1.00 0.00 WT3 H ATOM 44832 H2 TIP3 7152 -29.734 -22.669 -14.216 1.00 0.00 WT3 H ATOM 44833 OH2 TIP3 7153 -4.092 0.916 4.771 1.00 0.00 WT3 O ATOM 44834 H1 TIP3 7153 -6.766 -4.452 9.868 1.00 0.00 WT3 H ATOM 44835 H2 TIP3 7153 3.185 -2.379 1.250 1.00 0.00 WT3 H ATOM 44836 OH2 TIP3 7154 -1.685 -0.418 -0.636 1.00 0.00 WT3 O ATOM 44837 H1 TIP3 7154 7.560 -10.337 16.660 1.00 0.00 WT3 H ATOM 44838 H2 TIP3 7154 2.631 -11.128 -11.813 1.00 0.00 WT3 H ATOM 44839 OH2 TIP3 7155 4.477 2.239 -0.288 1.00 0.00 WT3 O ATOM 44840 H1 TIP3 7155 -21.382 -15.241 7.464 1.00 0.00 WT3 H ATOM 44841 H2 TIP3 7155 1.421 5.270 -0.147 1.00 0.00 WT3 H ATOM 44842 OH2 TIP3 7156 3.857 -0.187 3.673 1.00 0.00 WT3 O ATOM 44843 H1 TIP3 7156 -21.791 21.997 -6.618 1.00 0.00 WT3 H ATOM 44844 H2 TIP3 7156 19.885 -0.663 6.239 1.00 0.00 WT3 H ATOM 44845 OH2 TIP3 7157 -4.835 -4.109 1.195 1.00 0.00 WT3 O ATOM 44846 H1 TIP3 7157 -2.327 7.972 -6.153 1.00 0.00 WT3 H ATOM 44847 H2 TIP3 7157 2.984 -16.579 -6.824 1.00 0.00 WT3 H ATOM 44848 OH2 TIP3 7158 3.518 -2.202 0.330 1.00 0.00 WT3 O ATOM 44849 H1 TIP3 7158 13.739 -6.453 -0.881 1.00 0.00 WT3 H ATOM 44850 H2 TIP3 7158 -5.451 -5.204 0.743 1.00 0.00 WT3 H ATOM 44851 OH2 TIP3 7159 -1.794 -6.172 -2.669 1.00 0.00 WT3 O ATOM 44852 H1 TIP3 7159 0.337 -15.878 34.041 1.00 0.00 WT3 H ATOM 44853 H2 TIP3 7159 -32.766 12.439 -1.546 1.00 0.00 WT3 H ATOM 44854 OH2 TIP3 7160 1.179 2.413 -4.927 1.00 0.00 WT3 O ATOM 44855 H1 TIP3 7160 -0.722 6.314 -1.497 1.00 0.00 WT3 H ATOM 44856 H2 TIP3 7160 0.322 1.612 -9.414 1.00 0.00 WT3 H ATOM 44857 OH2 TIP3 7161 9.102 4.245 2.214 1.00 0.00 WT3 O ATOM 44858 H1 TIP3 7161 -4.971 10.601 12.291 1.00 0.00 WT3 H ATOM 44859 H2 TIP3 7161 13.966 1.723 -1.848 1.00 0.00 WT3 H ATOM 44860 OH2 TIP3 7162 1.029 -3.307 3.793 1.00 0.00 WT3 O ATOM 44861 H1 TIP3 7162 14.272 12.679 -9.066 1.00 0.00 WT3 H ATOM 44862 H2 TIP3 7162 -0.281 -27.711 2.962 1.00 0.00 WT3 H ATOM 44863 OH2 TIP3 7163 0.919 6.081 -0.715 1.00 0.00 WT3 O ATOM 44864 H1 TIP3 7163 -1.223 1.536 -9.627 1.00 0.00 WT3 H ATOM 44865 H2 TIP3 7163 -10.871 -4.119 11.413 1.00 0.00 WT3 H ATOM 44866 OH2 TIP3 7164 2.802 -3.648 -2.957 1.00 0.00 WT3 O ATOM 44867 H1 TIP3 7164 -4.735 -8.277 11.074 1.00 0.00 WT3 H ATOM 44868 H2 TIP3 7164 10.807 2.979 -19.646 1.00 0.00 WT3 H ATOM 44869 OH2 TIP3 7165 2.312 1.798 -5.634 1.00 0.00 WT3 O ATOM 44870 H1 TIP3 7165 12.317 13.332 -2.741 1.00 0.00 WT3 H ATOM 44871 H2 TIP3 7165 6.202 18.521 -12.689 1.00 0.00 WT3 H ATOM 44872 OH2 TIP3 7166 1.855 1.336 5.981 1.00 0.00 WT3 O ATOM 44873 H1 TIP3 7166 12.680 -0.857 14.700 1.00 0.00 WT3 H ATOM 44874 H2 TIP3 7166 -7.082 8.199 14.568 1.00 0.00 WT3 H ATOM 44875 OH2 TIP3 7167 -2.443 -1.868 -2.728 1.00 0.00 WT3 O ATOM 44876 H1 TIP3 7167 -6.367 -19.782 -18.042 1.00 0.00 WT3 H ATOM 44877 H2 TIP3 7167 -30.421 -5.236 9.691 1.00 0.00 WT3 H ATOM 44878 OH2 TIP3 7168 -5.024 0.642 0.874 1.00 0.00 WT3 O ATOM 44879 H1 TIP3 7168 -5.276 -13.798 -12.756 1.00 0.00 WT3 H ATOM 44880 H2 TIP3 7168 3.803 34.186 -12.861 1.00 0.00 WT3 H ATOM 44881 OH2 TIP3 7169 0.502 1.114 -0.011 1.00 0.00 WT3 O ATOM 44882 H1 TIP3 7169 7.790 -25.045 -1.268 1.00 0.00 WT3 H ATOM 44883 H2 TIP3 7169 4.040 -8.174 -21.907 1.00 0.00 WT3 H ATOM 44884 OH2 TIP3 7170 1.870 0.932 4.656 1.00 0.00 WT3 O ATOM 44885 H1 TIP3 7170 9.414 9.178 16.012 1.00 0.00 WT3 H ATOM 44886 H2 TIP3 7170 13.191 -10.522 -12.223 1.00 0.00 WT3 H ATOM 44887 OH2 TIP3 7172 0.196 -0.398 -0.329 1.00 0.00 WT3 O ATOM 44888 H1 TIP3 7172 -11.114 -6.129 -9.989 1.00 0.00 WT3 H ATOM 44889 H2 TIP3 7172 5.325 -9.236 15.406 1.00 0.00 WT3 H ATOM 44890 OH2 TIP3 7173 2.594 -1.314 2.081 1.00 0.00 WT3 O ATOM 44891 H1 TIP3 7173 7.887 3.164 0.373 1.00 0.00 WT3 H ATOM 44892 H2 TIP3 7173 14.893 4.061 -5.011 1.00 0.00 WT3 H ATOM 44893 OH2 TIP3 7175 -1.116 -4.255 0.074 1.00 0.00 WT3 O ATOM 44894 H1 TIP3 7175 2.751 3.437 12.033 1.00 0.00 WT3 H ATOM 44895 H2 TIP3 7175 12.043 5.445 -25.631 1.00 0.00 WT3 H ATOM 44896 OH2 TIP3 7177 -0.691 1.212 0.467 1.00 0.00 WT3 O ATOM 44897 H1 TIP3 7177 -6.980 8.351 17.356 1.00 0.00 WT3 H ATOM 44898 H2 TIP3 7177 18.507 16.792 19.964 1.00 0.00 WT3 H ATOM 44899 OH2 TIP3 7178 0.114 -4.914 2.125 1.00 0.00 WT3 O ATOM 44900 H1 TIP3 7178 11.673 16.188 -10.657 1.00 0.00 WT3 H ATOM 44901 H2 TIP3 7178 -10.629 -10.797 12.910 1.00 0.00 WT3 H ATOM 44902 OH2 TIP3 7180 7.313 0.233 -1.691 1.00 0.00 WT3 O ATOM 44903 H1 TIP3 7180 5.950 -15.489 -6.515 1.00 0.00 WT3 H ATOM 44904 H2 TIP3 7180 14.643 10.136 3.252 1.00 0.00 WT3 H ATOM 44905 OH2 TIP3 7181 0.728 2.819 -1.703 1.00 0.00 WT3 O ATOM 44906 H1 TIP3 7181 5.666 -8.759 3.074 1.00 0.00 WT3 H ATOM 44907 H2 TIP3 7181 -1.499 -2.730 2.869 1.00 0.00 WT3 H ATOM 44908 OH2 TIP3 7182 3.599 -0.218 1.605 1.00 0.00 WT3 O ATOM 44909 H1 TIP3 7182 -7.054 -12.371 -13.945 1.00 0.00 WT3 H ATOM 44910 H2 TIP3 7182 -5.381 -17.894 21.116 1.00 0.00 WT3 H ATOM 44911 OH2 TIP3 7183 -0.690 -3.650 1.159 1.00 0.00 WT3 O ATOM 44912 H1 TIP3 7183 4.344 6.093 -3.282 1.00 0.00 WT3 H ATOM 44913 H2 TIP3 7183 -4.592 -1.548 -6.390 1.00 0.00 WT3 H ATOM 44914 OH2 TIP3 7184 -3.769 -0.137 3.579 1.00 0.00 WT3 O ATOM 44915 H1 TIP3 7184 -5.200 -5.021 -8.609 1.00 0.00 WT3 H ATOM 44916 H2 TIP3 7184 -7.729 -16.774 10.095 1.00 0.00 WT3 H ATOM 44917 OH2 TIP3 7186 5.243 0.918 -3.834 1.00 0.00 WT3 O ATOM 44918 H1 TIP3 7186 5.715 13.050 -7.954 1.00 0.00 WT3 H ATOM 44919 H2 TIP3 7186 -4.240 4.738 3.473 1.00 0.00 WT3 H ATOM 44920 OH2 TIP3 7187 3.995 6.086 -6.222 1.00 0.00 WT3 O ATOM 44921 H1 TIP3 7187 1.259 5.348 -8.183 1.00 0.00 WT3 H ATOM 44922 H2 TIP3 7187 -4.737 14.084 -11.868 1.00 0.00 WT3 H ATOM 44923 OH2 TIP3 7189 7.626 -1.028 0.305 1.00 0.00 WT3 O ATOM 44924 H1 TIP3 7189 4.672 -12.394 4.669 1.00 0.00 WT3 H ATOM 44925 H2 TIP3 7189 -15.841 -2.210 -4.747 1.00 0.00 WT3 H ATOM 44926 OH2 TIP3 7190 3.537 2.355 -2.700 1.00 0.00 WT3 O ATOM 44927 H1 TIP3 7190 -0.770 -1.931 -0.386 1.00 0.00 WT3 H ATOM 44928 H2 TIP3 7190 11.430 10.691 0.940 1.00 0.00 WT3 H ATOM 44929 OH2 TIP3 7191 2.823 1.965 4.511 1.00 0.00 WT3 O ATOM 44930 H1 TIP3 7191 -11.798 -16.876 -5.233 1.00 0.00 WT3 H ATOM 44931 H2 TIP3 7191 -5.011 0.157 -4.078 1.00 0.00 WT3 H ATOM 44932 OH2 TIP3 7192 9.007 -1.756 3.616 1.00 0.00 WT3 O ATOM 44933 H1 TIP3 7192 13.549 -5.098 0.271 1.00 0.00 WT3 H ATOM 44934 H2 TIP3 7192 8.373 2.341 -1.433 1.00 0.00 WT3 H ATOM 44935 OH2 TIP3 7193 -0.491 -3.704 5.090 1.00 0.00 WT3 O ATOM 44936 H1 TIP3 7193 2.670 -0.388 3.167 1.00 0.00 WT3 H ATOM 44937 H2 TIP3 7193 0.825 -2.264 4.435 1.00 0.00 WT3 H ATOM 44938 OH2 TIP3 7194 0.941 5.154 2.894 1.00 0.00 WT3 O ATOM 44939 H1 TIP3 7194 -6.062 25.730 -18.693 1.00 0.00 WT3 H ATOM 44940 H2 TIP3 7194 0.755 6.798 1.655 1.00 0.00 WT3 H ATOM 44941 OH2 TIP3 7195 -0.041 3.290 -1.844 1.00 0.00 WT3 O ATOM 44942 H1 TIP3 7195 -6.162 -0.108 -5.656 1.00 0.00 WT3 H ATOM 44943 H2 TIP3 7195 19.059 -2.330 -9.486 1.00 0.00 WT3 H ATOM 44944 OH2 TIP3 7196 4.385 0.122 -4.079 1.00 0.00 WT3 O ATOM 44945 H1 TIP3 7196 1.239 0.031 -3.099 1.00 0.00 WT3 H ATOM 44946 H2 TIP3 7196 7.965 2.655 -4.069 1.00 0.00 WT3 H ATOM 44947 OH2 TIP3 7197 4.290 3.247 2.367 1.00 0.00 WT3 O ATOM 44948 H1 TIP3 7197 5.328 7.436 -21.328 1.00 0.00 WT3 H ATOM 44949 H2 TIP3 7197 -9.924 -5.258 -0.265 1.00 0.00 WT3 H ATOM 44950 OH2 TIP3 7198 -2.716 4.693 -0.295 1.00 0.00 WT3 O ATOM 44951 H1 TIP3 7198 -3.560 -7.162 -2.509 1.00 0.00 WT3 H ATOM 44952 H2 TIP3 7198 -11.312 11.105 -12.608 1.00 0.00 WT3 H ATOM 44953 OH2 TIP3 7199 -4.013 4.225 0.067 1.00 0.00 WT3 O ATOM 44954 H1 TIP3 7199 -11.033 6.577 13.193 1.00 0.00 WT3 H ATOM 44955 H2 TIP3 7199 4.823 -11.927 -16.231 1.00 0.00 WT3 H ATOM 44956 OH2 TIP3 7200 -0.336 -2.573 -5.732 1.00 0.00 WT3 O ATOM 44957 H1 TIP3 7200 -0.075 -9.112 -13.649 1.00 0.00 WT3 H ATOM 44958 H2 TIP3 7200 0.104 7.316 -9.657 1.00 0.00 WT3 H ATOM 44959 OH2 TIP3 7201 -1.445 5.808 -1.769 1.00 0.00 WT3 O ATOM 44960 H1 TIP3 7201 8.435 15.804 24.818 1.00 0.00 WT3 H ATOM 44961 H2 TIP3 7201 -16.147 35.182 15.970 1.00 0.00 WT3 H ATOM 44962 OH2 TIP3 7202 -5.844 -0.184 2.399 1.00 0.00 WT3 O ATOM 44963 H1 TIP3 7202 -9.868 4.675 3.233 1.00 0.00 WT3 H ATOM 44964 H2 TIP3 7202 -5.333 -0.961 1.153 1.00 0.00 WT3 H ATOM 44965 OH2 TIP3 7203 4.055 4.070 -0.040 1.00 0.00 WT3 O ATOM 44966 H1 TIP3 7203 9.365 4.287 -0.976 1.00 0.00 WT3 H ATOM 44967 H2 TIP3 7203 29.034 4.074 -2.750 1.00 0.00 WT3 H ATOM 44968 OH2 TIP3 7204 2.285 -0.544 0.061 1.00 0.00 WT3 O ATOM 44969 H1 TIP3 7204 -15.651 -6.121 -11.169 1.00 0.00 WT3 H ATOM 44970 H2 TIP3 7204 1.460 1.135 6.426 1.00 0.00 WT3 H ATOM 44971 OH2 TIP3 7205 3.335 2.278 2.452 1.00 0.00 WT3 O ATOM 44972 H1 TIP3 7205 -11.171 6.259 -18.501 1.00 0.00 WT3 H ATOM 44973 H2 TIP3 7205 17.958 -18.562 -5.122 1.00 0.00 WT3 H ATOM 44974 OH2 TIP3 7206 -0.033 -3.158 0.094 1.00 0.00 WT3 O ATOM 44975 H1 TIP3 7206 -3.453 -16.973 -1.399 1.00 0.00 WT3 H ATOM 44976 H2 TIP3 7206 0.186 -0.431 2.461 1.00 0.00 WT3 H ATOM 44977 OH2 TIP3 7208 -6.073 -1.686 -2.048 1.00 0.00 WT3 O ATOM 44978 H1 TIP3 7208 17.477 -14.900 -14.181 1.00 0.00 WT3 H ATOM 44979 H2 TIP3 7208 -24.177 2.053 11.094 1.00 0.00 WT3 H ATOM 44980 OH2 TIP3 7209 -2.622 3.329 -4.067 1.00 0.00 WT3 O ATOM 44981 H1 TIP3 7209 -12.072 4.092 -5.051 1.00 0.00 WT3 H ATOM 44982 H2 TIP3 7209 6.675 -2.252 13.594 1.00 0.00 WT3 H ATOM 44983 OH2 TIP3 7210 -5.638 3.463 -3.296 1.00 0.00 WT3 O ATOM 44984 H1 TIP3 7210 8.710 -2.928 8.222 1.00 0.00 WT3 H ATOM 44985 H2 TIP3 7210 -0.179 11.646 -4.181 1.00 0.00 WT3 H ATOM 44986 OH2 TIP3 7211 4.154 -2.383 2.846 1.00 0.00 WT3 O ATOM 44987 H1 TIP3 7211 -2.793 -9.226 30.804 1.00 0.00 WT3 H ATOM 44988 H2 TIP3 7211 -18.818 -4.000 6.419 1.00 0.00 WT3 H ATOM 44989 OH2 TIP3 7213 -0.028 -0.259 1.873 1.00 0.00 WT3 O ATOM 44990 H1 TIP3 7213 4.600 12.013 -4.976 1.00 0.00 WT3 H ATOM 44991 H2 TIP3 7213 3.067 4.134 1.701 1.00 0.00 WT3 H ATOM 44992 OH2 TIP3 7215 -1.803 7.466 -4.692 1.00 0.00 WT3 O ATOM 44993 H1 TIP3 7215 -9.242 2.163 -3.586 1.00 0.00 WT3 H ATOM 44994 H2 TIP3 7215 -18.404 4.503 3.269 1.00 0.00 WT3 H ATOM 44995 OH2 TIP3 7216 -0.269 1.226 -8.036 1.00 0.00 WT3 O ATOM 44996 H1 TIP3 7216 -4.129 12.252 -27.088 1.00 0.00 WT3 H ATOM 44997 H2 TIP3 7216 -6.515 3.576 -13.924 1.00 0.00 WT3 H ATOM 44998 OH2 TIP3 7217 -3.218 -9.292 -6.055 1.00 0.00 WT3 O ATOM 44999 H1 TIP3 7217 -3.017 9.834 18.322 1.00 0.00 WT3 H ATOM 45000 H2 TIP3 7217 -7.488 10.542 -9.353 1.00 0.00 WT3 H ATOM 45001 OH2 TIP3 7219 8.974 -4.087 4.557 1.00 0.00 WT3 O ATOM 45002 H1 TIP3 7219 -2.906 4.676 4.634 1.00 0.00 WT3 H ATOM 45003 H2 TIP3 7219 -10.364 1.601 6.109 1.00 0.00 WT3 H ATOM 45004 OH2 TIP3 7222 8.093 1.142 -3.875 1.00 0.00 WT3 O ATOM 45005 H1 TIP3 7222 13.971 -1.606 4.158 1.00 0.00 WT3 H ATOM 45006 H2 TIP3 7222 3.459 -1.302 2.077 1.00 0.00 WT3 H ATOM 45007 OH2 TIP3 7223 -2.425 1.351 5.092 1.00 0.00 WT3 O ATOM 45008 H1 TIP3 7223 14.489 2.286 24.712 1.00 0.00 WT3 H ATOM 45009 H2 TIP3 7223 -4.704 0.967 7.961 1.00 0.00 WT3 H ATOM 45010 OH2 TIP3 7224 4.395 2.173 -2.426 1.00 0.00 WT3 O ATOM 45011 H1 TIP3 7224 -3.709 -0.718 -1.312 1.00 0.00 WT3 H ATOM 45012 H2 TIP3 7224 21.642 -7.790 -9.503 1.00 0.00 WT3 H ATOM 45013 OH2 TIP3 7227 -0.886 -3.394 2.104 1.00 0.00 WT3 O ATOM 45014 H1 TIP3 7227 -7.893 -22.890 52.202 1.00 0.00 WT3 H ATOM 45015 H2 TIP3 7227 12.428 -19.440 -9.411 1.00 0.00 WT3 H ATOM 45016 OH2 TIP3 7228 -6.781 -0.332 3.377 1.00 0.00 WT3 O ATOM 45017 H1 TIP3 7228 7.727 -7.968 -27.219 1.00 0.00 WT3 H ATOM 45018 H2 TIP3 7228 -6.315 0.068 9.823 1.00 0.00 WT3 H ATOM 45019 OH2 TIP3 7229 6.278 -2.153 -3.592 1.00 0.00 WT3 O ATOM 45020 H1 TIP3 7229 -2.002 1.615 -1.328 1.00 0.00 WT3 H ATOM 45021 H2 TIP3 7229 5.618 7.192 -9.142 1.00 0.00 WT3 H ATOM 45022 OH2 TIP3 7230 -0.615 -1.275 -1.727 1.00 0.00 WT3 O ATOM 45023 H1 TIP3 7230 -0.131 -9.041 14.355 1.00 0.00 WT3 H ATOM 45024 H2 TIP3 7230 11.356 -3.791 -4.662 1.00 0.00 WT3 H ATOM 45025 OH2 TIP3 7231 1.188 -3.589 -5.593 1.00 0.00 WT3 O ATOM 45026 H1 TIP3 7231 -1.704 2.309 -13.530 1.00 0.00 WT3 H ATOM 45027 H2 TIP3 7231 0.086 -4.774 -0.163 1.00 0.00 WT3 H ATOM 45028 OH2 TIP3 7232 0.836 -4.445 0.062 1.00 0.00 WT3 O ATOM 45029 H1 TIP3 7232 -18.788 16.293 6.559 1.00 0.00 WT3 H ATOM 45030 H2 TIP3 7232 5.804 -0.577 -14.797 1.00 0.00 WT3 H ATOM 45031 OH2 TIP3 7234 2.259 1.268 -0.789 1.00 0.00 WT3 O ATOM 45032 H1 TIP3 7234 13.463 2.072 -9.705 1.00 0.00 WT3 H ATOM 45033 H2 TIP3 7234 -4.094 -9.533 -5.640 1.00 0.00 WT3 H ATOM 45034 OH2 TIP3 7235 -0.671 5.116 -2.270 1.00 0.00 WT3 O ATOM 45035 H1 TIP3 7235 0.807 -8.705 2.110 1.00 0.00 WT3 H ATOM 45036 H2 TIP3 7235 -6.120 1.451 -7.644 1.00 0.00 WT3 H ATOM 45037 OH2 TIP3 7238 1.642 5.584 -0.922 1.00 0.00 WT3 O ATOM 45038 H1 TIP3 7238 0.202 1.040 -5.485 1.00 0.00 WT3 H ATOM 45039 H2 TIP3 7238 2.965 13.388 5.687 1.00 0.00 WT3 H ATOM 45040 OH2 TIP3 7239 -1.728 0.113 3.741 1.00 0.00 WT3 O ATOM 45041 H1 TIP3 7239 -3.430 31.760 -23.201 1.00 0.00 WT3 H ATOM 45042 H2 TIP3 7239 4.882 14.105 -5.799 1.00 0.00 WT3 H ATOM 45043 OH2 TIP3 7240 -4.114 -3.926 3.655 1.00 0.00 WT3 O ATOM 45044 H1 TIP3 7240 -6.175 -11.284 6.620 1.00 0.00 WT3 H ATOM 45045 H2 TIP3 7240 -5.662 -1.321 9.001 1.00 0.00 WT3 H ATOM 45046 OH2 TIP3 7241 2.599 -1.684 -5.375 1.00 0.00 WT3 O ATOM 45047 H1 TIP3 7241 -3.706 -9.723 17.433 1.00 0.00 WT3 H ATOM 45048 H2 TIP3 7241 10.307 8.832 21.844 1.00 0.00 WT3 H ATOM 45049 OH2 TIP3 7243 0.595 -5.459 4.212 1.00 0.00 WT3 O ATOM 45050 H1 TIP3 7243 26.167 0.975 -1.993 1.00 0.00 WT3 H ATOM 45051 H2 TIP3 7243 -3.863 2.035 -7.787 1.00 0.00 WT3 H ATOM 45052 OH2 TIP3 7244 3.686 -12.449 -6.238 1.00 0.00 WT3 O ATOM 45053 H1 TIP3 7244 8.281 -8.205 -9.079 1.00 0.00 WT3 H ATOM 45054 H2 TIP3 7244 9.795 -18.417 -2.063 1.00 0.00 WT3 H ATOM 45055 OH2 TIP3 7245 -7.167 -1.616 -6.407 1.00 0.00 WT3 O ATOM 45056 H1 TIP3 7245 -20.421 -2.978 2.812 1.00 0.00 WT3 H ATOM 45057 H2 TIP3 7245 3.203 27.360 32.717 1.00 0.00 WT3 H ATOM 45058 OH2 TIP3 7247 7.070 3.034 -6.346 1.00 0.00 WT3 O ATOM 45059 H1 TIP3 7247 -30.244 16.253 6.432 1.00 0.00 WT3 H ATOM 45060 H2 TIP3 7247 -11.975 14.964 -3.502 1.00 0.00 WT3 H ATOM 45061 OH2 TIP3 7248 2.968 1.926 5.839 1.00 0.00 WT3 O ATOM 45062 H1 TIP3 7248 5.337 -0.245 2.552 1.00 0.00 WT3 H ATOM 45063 H2 TIP3 7248 -8.129 4.824 17.737 1.00 0.00 WT3 H ATOM 45064 OH2 TIP3 7249 -0.186 0.526 7.118 1.00 0.00 WT3 O ATOM 45065 H1 TIP3 7249 21.223 -0.899 3.540 1.00 0.00 WT3 H ATOM 45066 H2 TIP3 7249 -9.804 11.191 -4.289 1.00 0.00 WT3 H ATOM 45067 OH2 TIP3 7250 4.331 1.759 0.225 1.00 0.00 WT3 O ATOM 45068 H1 TIP3 7250 6.253 -2.056 3.291 1.00 0.00 WT3 H ATOM 45069 H2 TIP3 7250 7.737 -5.857 5.734 1.00 0.00 WT3 H ATOM 45070 OH2 TIP3 7252 6.454 0.828 0.351 1.00 0.00 WT3 O ATOM 45071 H1 TIP3 7252 -2.229 -3.213 -16.201 1.00 0.00 WT3 H ATOM 45072 H2 TIP3 7252 19.372 18.737 -4.065 1.00 0.00 WT3 H ATOM 45073 OH2 TIP3 7253 8.084 0.923 -0.863 1.00 0.00 WT3 O ATOM 45074 H1 TIP3 7253 -1.032 -0.126 -7.386 1.00 0.00 WT3 H ATOM 45075 H2 TIP3 7253 5.506 4.813 8.697 1.00 0.00 WT3 H ATOM 45076 OH2 TIP3 7254 0.014 0.999 -3.869 1.00 0.00 WT3 O ATOM 45077 H1 TIP3 7254 7.404 9.755 -12.726 1.00 0.00 WT3 H ATOM 45078 H2 TIP3 7254 -16.286 -2.967 10.156 1.00 0.00 WT3 H ATOM 45079 OH2 TIP3 7256 -0.524 -3.802 -2.548 1.00 0.00 WT3 O ATOM 45080 H1 TIP3 7256 13.449 -16.915 9.624 1.00 0.00 WT3 H ATOM 45081 H2 TIP3 7256 12.082 -12.945 1.184 1.00 0.00 WT3 H ATOM 45082 OH2 TIP3 7257 -7.830 -8.418 -1.140 1.00 0.00 WT3 O ATOM 45083 H1 TIP3 7257 -18.743 -8.098 -8.891 1.00 0.00 WT3 H ATOM 45084 H2 TIP3 7257 14.003 -23.442 9.509 1.00 0.00 WT3 H ATOM 45085 OH2 TIP3 7258 -1.956 3.913 5.686 1.00 0.00 WT3 O ATOM 45086 H1 TIP3 7258 27.611 -16.237 9.245 1.00 0.00 WT3 H ATOM 45087 H2 TIP3 7258 -18.226 -7.387 -9.008 1.00 0.00 WT3 H ATOM 45088 OH2 TIP3 7259 -7.998 -3.894 -3.261 1.00 0.00 WT3 O ATOM 45089 H1 TIP3 7259 -5.440 -17.396 -4.146 1.00 0.00 WT3 H ATOM 45090 H2 TIP3 7259 -12.067 7.195 2.990 1.00 0.00 WT3 H ATOM 45091 OH2 TIP3 7260 -1.491 3.234 5.893 1.00 0.00 WT3 O ATOM 45092 H1 TIP3 7260 -9.436 -10.831 -18.048 1.00 0.00 WT3 H ATOM 45093 H2 TIP3 7260 -3.147 32.450 23.182 1.00 0.00 WT3 H ATOM 45094 OH2 TIP3 7262 2.670 -4.163 -3.778 1.00 0.00 WT3 O ATOM 45095 H1 TIP3 7262 -4.365 4.874 -6.912 1.00 0.00 WT3 H ATOM 45096 H2 TIP3 7262 9.964 -2.597 4.596 1.00 0.00 WT3 H ATOM 45097 OH2 TIP3 7264 1.941 6.103 -0.095 1.00 0.00 WT3 O ATOM 45098 H1 TIP3 7264 0.668 4.873 3.611 1.00 0.00 WT3 H ATOM 45099 H2 TIP3 7264 32.331 4.211 12.135 1.00 0.00 WT3 H ATOM 45100 OH2 TIP3 7266 3.318 1.221 3.432 1.00 0.00 WT3 O ATOM 45101 H1 TIP3 7266 11.562 -8.447 8.690 1.00 0.00 WT3 H ATOM 45102 H2 TIP3 7266 9.921 9.921 15.695 1.00 0.00 WT3 H ATOM 45103 OH2 TIP3 7267 -0.543 -5.367 1.801 1.00 0.00 WT3 O ATOM 45104 H1 TIP3 7267 -0.783 -5.105 0.771 1.00 0.00 WT3 H ATOM 45105 H2 TIP3 7267 -0.791 -7.323 12.847 1.00 0.00 WT3 H ATOM 45106 OH2 TIP3 7270 -3.894 5.151 1.116 1.00 0.00 WT3 O ATOM 45107 H1 TIP3 7270 1.015 -1.968 -12.322 1.00 0.00 WT3 H ATOM 45108 H2 TIP3 7270 -0.168 18.904 20.564 1.00 0.00 WT3 H ATOM 45109 OH2 TIP3 7275 0.322 0.401 2.146 1.00 0.00 WT3 O ATOM 45110 H1 TIP3 7275 -2.301 14.024 -12.270 1.00 0.00 WT3 H ATOM 45111 H2 TIP3 7275 -0.110 7.442 7.283 1.00 0.00 WT3 H ATOM 45112 OH2 TIP3 7280 10.232 -2.130 2.101 1.00 0.00 WT3 O ATOM 45113 H1 TIP3 7280 11.628 2.314 -3.656 1.00 0.00 WT3 H ATOM 45114 H2 TIP3 7280 24.410 3.952 -3.102 1.00 0.00 WT3 H ATOM 45115 OH2 TIP3 7281 -2.963 -2.521 -1.045 1.00 0.00 WT3 O ATOM 45116 H1 TIP3 7281 5.960 -7.284 -4.257 1.00 0.00 WT3 H ATOM 45117 H2 TIP3 7281 5.082 5.955 5.033 1.00 0.00 WT3 H ATOM 45118 OH2 TIP3 7282 0.665 -1.053 3.167 1.00 0.00 WT3 O ATOM 45119 H1 TIP3 7282 6.757 13.181 10.147 1.00 0.00 WT3 H ATOM 45120 H2 TIP3 7282 -15.257 -2.993 10.371 1.00 0.00 WT3 H ATOM 45121 OH2 TIP3 7283 -3.416 -3.815 0.505 1.00 0.00 WT3 O ATOM 45122 H1 TIP3 7283 4.290 -23.001 0.413 1.00 0.00 WT3 H ATOM 45123 H2 TIP3 7283 -13.593 -8.290 8.482 1.00 0.00 WT3 H ATOM 45124 OH2 TIP3 7284 2.568 2.595 -0.565 1.00 0.00 WT3 O ATOM 45125 H1 TIP3 7284 22.381 -4.312 1.108 1.00 0.00 WT3 H ATOM 45126 H2 TIP3 7284 -11.153 -8.370 -21.993 1.00 0.00 WT3 H ATOM 45127 OH2 TIP3 7286 -1.308 5.855 1.822 1.00 0.00 WT3 O ATOM 45128 H1 TIP3 7286 -1.770 10.063 -7.878 1.00 0.00 WT3 H ATOM 45129 H2 TIP3 7286 2.047 17.456 7.875 1.00 0.00 WT3 H ATOM 45130 OH2 TIP3 7295 2.314 -2.895 2.352 1.00 0.00 WT3 O ATOM 45131 H1 TIP3 7295 6.903 10.751 7.264 1.00 0.00 WT3 H ATOM 45132 H2 TIP3 7295 7.450 -14.292 -2.357 1.00 0.00 WT3 H ATOM 45133 OH2 TIP3 7299 -1.387 -2.591 -5.385 1.00 0.00 WT3 O ATOM 45134 H1 TIP3 7299 -3.500 4.593 -3.147 1.00 0.00 WT3 H ATOM 45135 H2 TIP3 7299 -4.328 11.943 5.473 1.00 0.00 WT3 H ATOM 45136 OH2 TIP3 7301 2.818 1.444 -3.901 1.00 0.00 WT3 O ATOM 45137 H1 TIP3 7301 -13.236 -14.539 -5.509 1.00 0.00 WT3 H ATOM 45138 H2 TIP3 7301 -2.532 -14.316 -0.794 1.00 0.00 WT3 H ATOM 45139 OH2 TIP3 7302 -6.040 -2.951 -1.238 1.00 0.00 WT3 O ATOM 45140 H1 TIP3 7302 22.356 -7.126 -7.182 1.00 0.00 WT3 H ATOM 45141 H2 TIP3 7302 0.822 -1.796 -4.410 1.00 0.00 WT3 H ATOM 45142 OH2 TIP3 7305 -3.881 2.820 -10.398 1.00 0.00 WT3 O ATOM 45143 H1 TIP3 7305 -9.506 5.887 -17.784 1.00 0.00 WT3 H ATOM 45144 H2 TIP3 7305 0.114 -12.365 -9.274 1.00 0.00 WT3 H ATOM 45145 OH2 TIP3 7311 11.752 7.807 1.694 1.00 0.00 WT3 O ATOM 45146 H1 TIP3 7311 -9.588 -8.820 17.705 1.00 0.00 WT3 H ATOM 45147 H2 TIP3 7311 -2.679 15.791 6.892 1.00 0.00 WT3 H ATOM 45148 OH2 TIP3 7312 -2.718 1.253 -4.675 1.00 0.00 WT3 O ATOM 45149 H1 TIP3 7312 1.889 4.315 1.546 1.00 0.00 WT3 H ATOM 45150 H2 TIP3 7312 -2.040 10.473 -7.943 1.00 0.00 WT3 H ATOM 45151 OH2 TIP3 7322 -3.788 -3.599 0.577 1.00 0.00 WT3 O ATOM 45152 H1 TIP3 7322 -2.762 -6.438 -20.231 1.00 0.00 WT3 H ATOM 45153 H2 TIP3 7322 -3.445 15.055 -4.840 1.00 0.00 WT3 H ATOM 45154 OH2 TIP3 7340 0.415 -1.690 4.532 1.00 0.00 WT3 O ATOM 45155 H1 TIP3 7340 -0.272 0.190 0.239 1.00 0.00 WT3 H ATOM 45156 H2 TIP3 7340 -3.791 6.993 -16.084 1.00 0.00 WT3 H ATOM 45157 OH2 TIP3 7343 1.569 -8.436 -3.225 1.00 0.00 WT3 O ATOM 45158 H1 TIP3 7343 -6.980 -11.697 5.268 1.00 0.00 WT3 H ATOM 45159 H2 TIP3 7343 13.350 -10.277 -1.225 1.00 0.00 WT3 H ATOM 45160 OH2 TIP3 7366 -5.250 -1.479 4.918 1.00 0.00 WT3 O ATOM 45161 H1 TIP3 7366 -8.526 -20.027 -0.243 1.00 0.00 WT3 H ATOM 45162 H2 TIP3 7366 -0.566 -3.215 21.024 1.00 0.00 WT3 H ATOM 45163 OH2 TIP3 7408 4.156 4.972 -4.050 1.00 0.00 WT3 O ATOM 45164 H1 TIP3 7408 1.539 1.252 -12.606 1.00 0.00 WT3 H ATOM 45165 H2 TIP3 7408 -3.742 10.162 -4.389 1.00 0.00 WT3 H ATOM 45166 OH2 TIP3 7412 -4.392 -4.813 -0.287 1.00 0.00 WT3 O ATOM 45167 H1 TIP3 7412 5.017 -7.602 25.363 1.00 0.00 WT3 H ATOM 45168 H2 TIP3 7412 -1.209 4.876 -5.725 1.00 0.00 WT3 H ATOM 45169 OH2 TIP3 7415 5.481 -6.894 -0.508 1.00 0.00 WT3 O ATOM 45170 H1 TIP3 7415 -22.463 -4.007 -7.295 1.00 0.00 WT3 H ATOM 45171 H2 TIP3 7415 1.010 -8.526 8.851 1.00 0.00 WT3 H ATOM 45172 OH2 TIP3 7418 0.932 0.462 -2.219 1.00 0.00 WT3 O ATOM 45173 H1 TIP3 7418 16.483 -0.226 3.059 1.00 0.00 WT3 H ATOM 45174 H2 TIP3 7418 5.978 -21.111 -9.751 1.00 0.00 WT3 H ATOM 45175 OH2 TIP3 7431 -5.987 -2.530 -0.536 1.00 0.00 WT3 O ATOM 45176 H1 TIP3 7431 10.391 -2.182 -5.198 1.00 0.00 WT3 H ATOM 45177 H2 TIP3 7431 -8.101 -6.362 3.350 1.00 0.00 WT3 H ATOM 45178 OH2 TIP3 7435 0.088 5.058 -7.836 1.00 0.00 WT3 O ATOM 45179 H1 TIP3 7435 -4.648 1.611 -29.642 1.00 0.00 WT3 H ATOM 45180 H2 TIP3 7435 2.741 12.752 -5.470 1.00 0.00 WT3 H ATOM 45181 OH2 TIP3 7436 -10.559 1.906 -0.909 1.00 0.00 WT3 O ATOM 45182 H1 TIP3 7436 -2.883 10.903 -4.480 1.00 0.00 WT3 H ATOM 45183 H2 TIP3 7436 -23.443 4.428 -0.395 1.00 0.00 WT3 H ATOM 45184 OH2 TIP3 7437 0.614 -1.296 4.627 1.00 0.00 WT3 O ATOM 45185 H1 TIP3 7437 0.490 5.033 -2.564 1.00 0.00 WT3 H ATOM 45186 H2 TIP3 7437 -1.187 10.328 -6.325 1.00 0.00 WT3 H ATOM 45187 OH2 TIP3 7439 -1.414 0.055 7.249 1.00 0.00 WT3 O ATOM 45188 H1 TIP3 7439 -29.972 8.474 18.674 1.00 0.00 WT3 H ATOM 45189 H2 TIP3 7439 4.794 -3.905 -3.701 1.00 0.00 WT3 H ATOM 45190 OH2 TIP3 7451 1.170 -2.209 2.164 1.00 0.00 WT3 O ATOM 45191 H1 TIP3 7451 11.206 -7.076 -6.357 1.00 0.00 WT3 H ATOM 45192 H2 TIP3 7451 4.355 -8.504 1.923 1.00 0.00 WT3 H ATOM 45193 OH2 TIP3 7456 -0.654 -1.534 4.532 1.00 0.00 WT3 O ATOM 45194 H1 TIP3 7456 0.565 -6.566 13.173 1.00 0.00 WT3 H ATOM 45195 H2 TIP3 7456 2.675 0.030 -4.802 1.00 0.00 WT3 H ATOM 45196 OH2 TIP3 7461 -2.404 3.834 3.429 1.00 0.00 WT3 O ATOM 45197 H1 TIP3 7461 1.875 4.013 11.004 1.00 0.00 WT3 H ATOM 45198 H2 TIP3 7461 -0.836 3.075 4.617 1.00 0.00 WT3 H ATOM 45199 OH2 TIP3 7467 2.973 -4.694 -3.669 1.00 0.00 WT3 O ATOM 45200 H1 TIP3 7467 0.753 -3.944 13.989 1.00 0.00 WT3 H ATOM 45201 H2 TIP3 7467 6.311 -16.790 1.495 1.00 0.00 WT3 H ATOM 45202 OH2 TIP3 7471 1.420 -2.522 0.993 1.00 0.00 WT3 O ATOM 45203 H1 TIP3 7471 15.386 0.419 6.365 1.00 0.00 WT3 H ATOM 45204 H2 TIP3 7471 -20.912 -31.964 -17.474 1.00 0.00 WT3 H ATOM 45205 OH2 TIP3 7472 -0.267 0.953 -3.376 1.00 0.00 WT3 O ATOM 45206 H1 TIP3 7472 5.623 7.824 4.618 1.00 0.00 WT3 H ATOM 45207 H2 TIP3 7472 7.734 12.330 9.487 1.00 0.00 WT3 H ATOM 45208 OH2 TIP3 7473 -4.990 -2.422 -1.357 1.00 0.00 WT3 O ATOM 45209 H1 TIP3 7473 7.676 2.080 5.772 1.00 0.00 WT3 H ATOM 45210 H2 TIP3 7473 -44.453 3.557 1.625 1.00 0.00 WT3 H ATOM 45211 OH2 TIP3 7474 0.334 -4.333 -1.698 1.00 0.00 WT3 O ATOM 45212 H1 TIP3 7474 -22.847 0.501 12.438 1.00 0.00 WT3 H ATOM 45213 H2 TIP3 7474 0.912 -30.653 -4.764 1.00 0.00 WT3 H ATOM 45214 OH2 TIP3 7476 -2.236 -3.292 -7.049 1.00 0.00 WT3 O ATOM 45215 H1 TIP3 7476 22.693 -2.676 13.064 1.00 0.00 WT3 H ATOM 45216 H2 TIP3 7476 -7.413 -3.121 -0.756 1.00 0.00 WT3 H ATOM 45217 OH2 TIP3 7479 -1.274 4.738 0.192 1.00 0.00 WT3 O ATOM 45218 H1 TIP3 7479 -15.095 15.079 9.111 1.00 0.00 WT3 H ATOM 45219 H2 TIP3 7479 0.820 6.254 -11.813 1.00 0.00 WT3 H ATOM 45220 OH2 TIP3 7480 0.948 -1.364 -2.319 1.00 0.00 WT3 O ATOM 45221 H1 TIP3 7480 10.569 1.905 17.587 1.00 0.00 WT3 H ATOM 45222 H2 TIP3 7480 6.529 -12.569 -11.962 1.00 0.00 WT3 H ATOM 45223 OH2 TIP3 7483 5.531 -2.402 0.716 1.00 0.00 WT3 O ATOM 45224 H1 TIP3 7483 -5.074 -8.863 -2.470 1.00 0.00 WT3 H ATOM 45225 H2 TIP3 7483 30.015 -3.916 3.540 1.00 0.00 WT3 H ATOM 45226 OH2 TIP3 7486 2.872 5.417 0.729 1.00 0.00 WT3 O ATOM 45227 H1 TIP3 7486 1.066 8.774 3.087 1.00 0.00 WT3 H ATOM 45228 H2 TIP3 7486 -3.096 -5.327 2.886 1.00 0.00 WT3 H ATOM 45229 OH2 TIP3 7490 1.862 -7.977 -5.546 1.00 0.00 WT3 O ATOM 45230 H1 TIP3 7490 -5.171 11.839 -2.768 1.00 0.00 WT3 H ATOM 45231 H2 TIP3 7490 4.665 9.367 -2.929 1.00 0.00 WT3 H ATOM 45232 OH2 TIP3 7492 6.120 6.031 -0.152 1.00 0.00 WT3 O ATOM 45233 H1 TIP3 7492 11.058 -3.908 -11.288 1.00 0.00 WT3 H ATOM 45234 H2 TIP3 7492 0.721 -0.276 -2.493 1.00 0.00 WT3 H ATOM 45235 OH2 TIP3 7493 -2.268 -6.219 -2.656 1.00 0.00 WT3 O ATOM 45236 H1 TIP3 7493 1.590 -2.658 -5.433 1.00 0.00 WT3 H ATOM 45237 H2 TIP3 7493 -9.336 -15.786 3.994 1.00 0.00 WT3 H ATOM 45238 OH2 TIP3 7494 -6.928 -1.107 -0.175 1.00 0.00 WT3 O ATOM 45239 H1 TIP3 7494 -10.842 12.448 -4.420 1.00 0.00 WT3 H ATOM 45240 H2 TIP3 7494 -5.673 -0.596 1.135 1.00 0.00 WT3 H ATOM 45241 OH2 TIP3 7495 -2.248 -0.079 -1.135 1.00 0.00 WT3 O ATOM 45242 H1 TIP3 7495 17.647 -0.742 -0.066 1.00 0.00 WT3 H ATOM 45243 H2 TIP3 7495 -21.823 8.535 -3.782 1.00 0.00 WT3 H ATOM 45244 OH2 TIP3 7497 -1.648 -1.228 -0.781 1.00 0.00 WT3 O ATOM 45245 H1 TIP3 7497 -5.654 -2.096 3.957 1.00 0.00 WT3 H ATOM 45246 H2 TIP3 7497 -17.085 16.507 -7.429 1.00 0.00 WT3 H ATOM 45247 OH2 TIP3 7498 2.692 1.020 -6.722 1.00 0.00 WT3 O ATOM 45248 H1 TIP3 7498 -18.201 2.640 -2.581 1.00 0.00 WT3 H ATOM 45249 H2 TIP3 7498 2.224 6.985 -2.175 1.00 0.00 WT3 H ATOM 45250 OH2 TIP3 7500 -2.611 1.764 -0.167 1.00 0.00 WT3 O ATOM 45251 H1 TIP3 7500 2.131 8.231 -14.767 1.00 0.00 WT3 H ATOM 45252 H2 TIP3 7500 15.595 8.074 -3.826 1.00 0.00 WT3 H ATOM 45253 OH2 TIP3 7501 0.752 -5.301 2.310 1.00 0.00 WT3 O ATOM 45254 H1 TIP3 7501 7.185 -6.895 -8.482 1.00 0.00 WT3 H ATOM 45255 H2 TIP3 7501 -6.492 -4.733 11.991 1.00 0.00 WT3 H ATOM 45256 OH2 TIP3 7503 6.473 -0.333 -0.771 1.00 0.00 WT3 O ATOM 45257 H1 TIP3 7503 8.010 0.938 -1.737 1.00 0.00 WT3 H ATOM 45258 H2 TIP3 7503 27.381 5.292 -8.087 1.00 0.00 WT3 H ATOM 45259 OH2 TIP3 7504 -3.793 5.458 -5.962 1.00 0.00 WT3 O ATOM 45260 H1 TIP3 7504 5.495 -10.757 -15.961 1.00 0.00 WT3 H ATOM 45261 H2 TIP3 7504 -0.006 -1.523 -7.914 1.00 0.00 WT3 H ATOM 45262 OH2 TIP3 7505 0.423 -9.844 -1.299 1.00 0.00 WT3 O ATOM 45263 H1 TIP3 7505 10.323 -20.517 -8.132 1.00 0.00 WT3 H ATOM 45264 H2 TIP3 7505 2.606 -5.718 3.404 1.00 0.00 WT3 H ATOM 45265 OH2 TIP3 7507 1.058 -0.141 4.614 1.00 0.00 WT3 O ATOM 45266 H1 TIP3 7507 -26.906 4.542 -2.859 1.00 0.00 WT3 H ATOM 45267 H2 TIP3 7507 23.939 1.316 8.945 1.00 0.00 WT3 H ATOM 45268 OH2 TIP3 7508 -0.749 2.223 -0.887 1.00 0.00 WT3 O ATOM 45269 H1 TIP3 7508 -0.410 -5.374 -0.361 1.00 0.00 WT3 H ATOM 45270 H2 TIP3 7508 9.376 4.595 1.910 1.00 0.00 WT3 H ATOM 45271 OH2 TIP3 7509 -3.410 -4.300 -8.186 1.00 0.00 WT3 O ATOM 45272 H1 TIP3 7509 -2.393 7.278 7.333 1.00 0.00 WT3 H ATOM 45273 H2 TIP3 7509 10.701 -4.157 -18.901 1.00 0.00 WT3 H ATOM 45274 OH2 TIP3 7510 -5.303 -1.227 3.657 1.00 0.00 WT3 O ATOM 45275 H1 TIP3 7510 16.681 -10.862 14.233 1.00 0.00 WT3 H ATOM 45276 H2 TIP3 7510 3.185 38.107 -5.588 1.00 0.00 WT3 H ATOM 45277 OH2 TIP3 7511 0.603 7.654 5.421 1.00 0.00 WT3 O ATOM 45278 H1 TIP3 7511 -0.786 4.411 -0.335 1.00 0.00 WT3 H ATOM 45279 H2 TIP3 7511 0.095 12.731 3.355 1.00 0.00 WT3 H ATOM 45280 OH2 TIP3 7513 1.643 2.797 -0.186 1.00 0.00 WT3 O ATOM 45281 H1 TIP3 7513 10.271 3.373 0.924 1.00 0.00 WT3 H ATOM 45282 H2 TIP3 7513 4.129 5.610 3.603 1.00 0.00 WT3 H ATOM 45283 OH2 TIP3 7516 3.523 1.052 -4.990 1.00 0.00 WT3 O ATOM 45284 H1 TIP3 7516 11.531 -1.318 2.492 1.00 0.00 WT3 H ATOM 45285 H2 TIP3 7516 1.187 -0.852 -8.323 1.00 0.00 WT3 H ATOM 45286 OH2 TIP3 7519 -6.170 -1.786 1.637 1.00 0.00 WT3 O ATOM 45287 H1 TIP3 7519 4.777 11.311 13.857 1.00 0.00 WT3 H ATOM 45288 H2 TIP3 7519 -12.695 15.202 -6.809 1.00 0.00 WT3 H ATOM 45289 OH2 TIP3 7520 0.962 1.355 2.307 1.00 0.00 WT3 O ATOM 45290 H1 TIP3 7520 -6.510 6.402 3.909 1.00 0.00 WT3 H ATOM 45291 H2 TIP3 7520 0.598 -16.231 3.051 1.00 0.00 WT3 H ATOM 45292 OH2 TIP3 7522 3.936 0.912 5.460 1.00 0.00 WT3 O ATOM 45293 H1 TIP3 7522 10.605 -0.046 0.196 1.00 0.00 WT3 H ATOM 45294 H2 TIP3 7522 3.777 -0.784 -3.257 1.00 0.00 WT3 H ATOM 45295 OH2 TIP3 7523 5.207 6.389 4.547 1.00 0.00 WT3 O ATOM 45296 H1 TIP3 7523 -6.246 -4.566 -5.158 1.00 0.00 WT3 H ATOM 45297 H2 TIP3 7523 17.090 -3.337 2.029 1.00 0.00 WT3 H ATOM 45298 OH2 TIP3 7524 -2.184 1.323 -3.185 1.00 0.00 WT3 O ATOM 45299 H1 TIP3 7524 2.903 -20.130 -6.067 1.00 0.00 WT3 H ATOM 45300 H2 TIP3 7524 -7.224 -30.828 -6.662 1.00 0.00 WT3 H ATOM 45301 OH2 TIP3 7525 -0.546 -1.150 -1.202 1.00 0.00 WT3 O ATOM 45302 H1 TIP3 7525 0.553 -3.270 2.958 1.00 0.00 WT3 H ATOM 45303 H2 TIP3 7525 2.238 6.161 -3.464 1.00 0.00 WT3 H ATOM 45304 OH2 TIP3 7526 6.267 5.444 5.282 1.00 0.00 WT3 O ATOM 45305 H1 TIP3 7526 -1.096 16.760 3.309 1.00 0.00 WT3 H ATOM 45306 H2 TIP3 7526 -2.205 10.180 -0.145 1.00 0.00 WT3 H ATOM 45307 OH2 TIP3 7527 -3.533 9.104 -2.238 1.00 0.00 WT3 O ATOM 45308 H1 TIP3 7527 -9.294 7.302 14.844 1.00 0.00 WT3 H ATOM 45309 H2 TIP3 7527 0.569 8.486 -7.526 1.00 0.00 WT3 H ATOM 45310 OH2 TIP3 7528 5.779 5.905 3.208 1.00 0.00 WT3 O ATOM 45311 H1 TIP3 7528 -13.038 20.824 -17.052 1.00 0.00 WT3 H ATOM 45312 H2 TIP3 7528 4.249 2.344 6.899 1.00 0.00 WT3 H ATOM 45313 OH2 TIP3 7529 -0.654 6.553 0.600 1.00 0.00 WT3 O ATOM 45314 H1 TIP3 7529 9.709 2.029 27.432 1.00 0.00 WT3 H ATOM 45315 H2 TIP3 7529 10.385 -3.815 -6.130 1.00 0.00 WT3 H ATOM 45316 OH2 TIP3 7530 -5.516 -5.256 2.583 1.00 0.00 WT3 O ATOM 45317 H1 TIP3 7530 -2.379 14.306 -21.052 1.00 0.00 WT3 H ATOM 45318 H2 TIP3 7530 -0.472 1.735 -2.415 1.00 0.00 WT3 H ATOM 45319 OH2 TIP3 7531 -0.429 6.159 4.359 1.00 0.00 WT3 O ATOM 45320 H1 TIP3 7531 -1.051 23.942 3.955 1.00 0.00 WT3 H ATOM 45321 H2 TIP3 7531 -16.810 3.224 1.087 1.00 0.00 WT3 H ATOM 45322 OH2 TIP3 7532 1.677 1.432 8.588 1.00 0.00 WT3 O ATOM 45323 H1 TIP3 7532 0.049 2.175 -10.980 1.00 0.00 WT3 H ATOM 45324 H2 TIP3 7532 -10.211 4.120 6.251 1.00 0.00 WT3 H ATOM 45325 OH2 TIP3 7537 -5.753 -2.170 -1.029 1.00 0.00 WT3 O ATOM 45326 H1 TIP3 7537 3.285 -21.336 20.731 1.00 0.00 WT3 H ATOM 45327 H2 TIP3 7537 15.647 -25.356 7.764 1.00 0.00 WT3 H ATOM 45328 OH2 TIP3 7538 -1.824 -3.350 7.422 1.00 0.00 WT3 O ATOM 45329 H1 TIP3 7538 5.669 8.541 8.452 1.00 0.00 WT3 H ATOM 45330 H2 TIP3 7538 0.901 26.952 4.667 1.00 0.00 WT3 H ATOM 45331 OH2 TIP3 7539 5.439 10.842 -0.025 1.00 0.00 WT3 O ATOM 45332 H1 TIP3 7539 -11.072 -6.675 14.182 1.00 0.00 WT3 H ATOM 45333 H2 TIP3 7539 -0.763 26.259 -25.869 1.00 0.00 WT3 H ATOM 45334 OH2 TIP3 7540 4.526 1.561 -0.573 1.00 0.00 WT3 O ATOM 45335 H1 TIP3 7540 6.128 -13.155 -7.703 1.00 0.00 WT3 H ATOM 45336 H2 TIP3 7540 8.391 12.482 -10.132 1.00 0.00 WT3 H ATOM 45337 OH2 TIP3 7541 3.363 -5.826 1.215 1.00 0.00 WT3 O ATOM 45338 H1 TIP3 7541 8.906 -1.965 -1.945 1.00 0.00 WT3 H ATOM 45339 H2 TIP3 7541 7.429 -4.557 1.583 1.00 0.00 WT3 H ATOM 45340 OH2 TIP3 7542 -0.688 3.573 0.816 1.00 0.00 WT3 O ATOM 45341 H1 TIP3 7542 6.772 -2.461 -0.323 1.00 0.00 WT3 H ATOM 45342 H2 TIP3 7542 8.696 -3.036 -0.131 1.00 0.00 WT3 H ATOM 45343 OH2 TIP3 7544 -1.189 -6.441 -2.356 1.00 0.00 WT3 O ATOM 45344 H1 TIP3 7544 -17.142 -18.846 -15.315 1.00 0.00 WT3 H ATOM 45345 H2 TIP3 7544 7.675 4.810 14.272 1.00 0.00 WT3 H ATOM 45346 OH2 TIP3 7545 2.283 -10.200 -4.630 1.00 0.00 WT3 O ATOM 45347 H1 TIP3 7545 -12.266 18.808 0.689 1.00 0.00 WT3 H ATOM 45348 H2 TIP3 7545 26.078 -21.291 17.430 1.00 0.00 WT3 H ATOM 45349 OH2 TIP3 7547 4.682 1.203 -1.388 1.00 0.00 WT3 O ATOM 45350 H1 TIP3 7547 8.682 -1.144 -2.349 1.00 0.00 WT3 H ATOM 45351 H2 TIP3 7547 0.275 -2.555 -4.820 1.00 0.00 WT3 H ATOM 45352 OH2 TIP3 7550 -1.589 -2.617 -4.387 1.00 0.00 WT3 O ATOM 45353 H1 TIP3 7550 -2.773 3.573 -4.931 1.00 0.00 WT3 H ATOM 45354 H2 TIP3 7550 1.090 -16.706 -8.083 1.00 0.00 WT3 H ATOM 45355 OH2 TIP3 7551 -7.460 1.108 -8.693 1.00 0.00 WT3 O ATOM 45356 H1 TIP3 7551 -9.748 -2.909 -8.739 1.00 0.00 WT3 H ATOM 45357 H2 TIP3 7551 -2.439 8.142 -3.373 1.00 0.00 WT3 H ATOM 45358 OH2 TIP3 7552 0.296 -3.122 -2.449 1.00 0.00 WT3 O ATOM 45359 H1 TIP3 7552 21.109 -7.905 0.204 1.00 0.00 WT3 H ATOM 45360 H2 TIP3 7552 -3.588 12.266 15.773 1.00 0.00 WT3 H ATOM 45361 OH2 TIP3 7553 0.604 -0.468 -2.181 1.00 0.00 WT3 O ATOM 45362 H1 TIP3 7553 0.271 -26.446 22.209 1.00 0.00 WT3 H ATOM 45363 H2 TIP3 7553 6.906 12.810 -5.274 1.00 0.00 WT3 H ATOM 45364 OH2 TIP3 7554 -8.531 2.237 -1.097 1.00 0.00 WT3 O ATOM 45365 H1 TIP3 7554 4.556 -0.348 10.266 1.00 0.00 WT3 H ATOM 45366 H2 TIP3 7554 -4.392 17.863 -11.115 1.00 0.00 WT3 H ATOM 45367 OH2 TIP3 7555 1.369 -2.335 0.247 1.00 0.00 WT3 O ATOM 45368 H1 TIP3 7555 -9.663 6.526 5.923 1.00 0.00 WT3 H ATOM 45369 H2 TIP3 7555 -3.894 -10.283 -13.240 1.00 0.00 WT3 H ATOM 45370 OH2 TIP3 7556 -8.435 0.825 4.775 1.00 0.00 WT3 O ATOM 45371 H1 TIP3 7556 -27.147 -16.805 -17.458 1.00 0.00 WT3 H ATOM 45372 H2 TIP3 7556 11.889 6.613 -9.050 1.00 0.00 WT3 H ATOM 45373 OH2 TIP3 7557 -3.182 -1.386 -1.092 1.00 0.00 WT3 O ATOM 45374 H1 TIP3 7557 -0.772 -3.255 -3.646 1.00 0.00 WT3 H ATOM 45375 H2 TIP3 7557 -13.530 0.753 8.109 1.00 0.00 WT3 H ATOM 45376 OH2 TIP3 7558 5.168 -1.275 0.235 1.00 0.00 WT3 O ATOM 45377 H1 TIP3 7558 7.557 20.942 9.170 1.00 0.00 WT3 H ATOM 45378 H2 TIP3 7558 -3.162 -13.707 10.075 1.00 0.00 WT3 H ATOM 45379 OH2 TIP3 7559 3.222 3.164 4.353 1.00 0.00 WT3 O ATOM 45380 H1 TIP3 7559 -2.967 -3.375 -11.458 1.00 0.00 WT3 H ATOM 45381 H2 TIP3 7559 -0.139 -0.331 -3.886 1.00 0.00 WT3 H ATOM 45382 OH2 TIP3 7560 -10.773 -2.713 -1.920 1.00 0.00 WT3 O ATOM 45383 H1 TIP3 7560 -3.183 -10.384 -17.363 1.00 0.00 WT3 H ATOM 45384 H2 TIP3 7560 -5.998 -15.033 11.509 1.00 0.00 WT3 H ATOM 45385 OH2 TIP3 7561 -1.550 1.485 3.502 1.00 0.00 WT3 O ATOM 45386 H1 TIP3 7561 -4.254 2.336 2.970 1.00 0.00 WT3 H ATOM 45387 H2 TIP3 7561 -0.038 -0.083 4.082 1.00 0.00 WT3 H ATOM 45388 OH2 TIP3 7562 -2.142 0.373 3.636 1.00 0.00 WT3 O ATOM 45389 H1 TIP3 7562 -13.558 -14.706 0.675 1.00 0.00 WT3 H ATOM 45390 H2 TIP3 7562 10.621 -2.228 -3.633 1.00 0.00 WT3 H ATOM 45391 OH2 TIP3 7563 5.828 -6.218 -0.771 1.00 0.00 WT3 O ATOM 45392 H1 TIP3 7563 3.361 -4.794 -2.764 1.00 0.00 WT3 H ATOM 45393 H2 TIP3 7563 2.879 -11.689 -0.137 1.00 0.00 WT3 H ATOM 45394 OH2 TIP3 7564 -1.201 3.610 8.717 1.00 0.00 WT3 O ATOM 45395 H1 TIP3 7564 10.117 -7.230 -0.211 1.00 0.00 WT3 H ATOM 45396 H2 TIP3 7564 -7.874 -11.299 13.816 1.00 0.00 WT3 H ATOM 45397 OH2 TIP3 7567 0.870 5.647 -3.333 1.00 0.00 WT3 O ATOM 45398 H1 TIP3 7567 20.627 -9.020 11.725 1.00 0.00 WT3 H ATOM 45399 H2 TIP3 7567 -11.741 -3.209 6.239 1.00 0.00 WT3 H ATOM 45400 OH2 TIP3 7568 2.922 -2.409 2.954 1.00 0.00 WT3 O ATOM 45401 H1 TIP3 7568 7.100 -9.716 2.647 1.00 0.00 WT3 H ATOM 45402 H2 TIP3 7568 5.929 -9.994 3.395 1.00 0.00 WT3 H ATOM 45403 OH2 TIP3 7570 -10.507 4.594 -5.362 1.00 0.00 WT3 O ATOM 45404 H1 TIP3 7570 9.237 0.062 -16.004 1.00 0.00 WT3 H ATOM 45405 H2 TIP3 7570 -2.581 -11.463 -17.148 1.00 0.00 WT3 H ATOM 45406 OH2 TIP3 7571 -3.673 1.255 3.058 1.00 0.00 WT3 O ATOM 45407 H1 TIP3 7571 -4.844 -9.058 19.091 1.00 0.00 WT3 H ATOM 45408 H2 TIP3 7571 6.088 -10.164 -5.361 1.00 0.00 WT3 H ATOM 45409 OH2 TIP3 7572 6.425 4.205 -0.763 1.00 0.00 WT3 O ATOM 45410 H1 TIP3 7572 2.069 -7.707 -16.092 1.00 0.00 WT3 H ATOM 45411 H2 TIP3 7572 -2.588 -3.669 -1.902 1.00 0.00 WT3 H ATOM 45412 OH2 TIP3 7574 -2.777 -4.675 -2.688 1.00 0.00 WT3 O ATOM 45413 H1 TIP3 7574 -12.826 -7.983 4.418 1.00 0.00 WT3 H ATOM 45414 H2 TIP3 7574 1.995 -3.440 0.837 1.00 0.00 WT3 H ATOM 45415 OH2 TIP3 7575 2.632 0.338 -1.460 1.00 0.00 WT3 O ATOM 45416 H1 TIP3 7575 -18.730 23.776 21.016 1.00 0.00 WT3 H ATOM 45417 H2 TIP3 7575 5.262 4.448 -5.263 1.00 0.00 WT3 H ATOM 45418 OH2 TIP3 7576 3.501 4.168 -6.137 1.00 0.00 WT3 O ATOM 45419 H1 TIP3 7576 -5.909 11.394 -19.973 1.00 0.00 WT3 H ATOM 45420 H2 TIP3 7576 4.071 -4.770 -6.698 1.00 0.00 WT3 H ATOM 45421 OH2 TIP3 7578 0.804 0.623 -3.076 1.00 0.00 WT3 O ATOM 45422 H1 TIP3 7578 -9.687 -12.798 -31.417 1.00 0.00 WT3 H ATOM 45423 H2 TIP3 7578 -15.682 -22.047 16.282 1.00 0.00 WT3 H ATOM 45424 OH2 TIP3 7579 2.652 0.026 0.931 1.00 0.00 WT3 O ATOM 45425 H1 TIP3 7579 8.823 24.774 -5.245 1.00 0.00 WT3 H ATOM 45426 H2 TIP3 7579 0.270 -13.791 -3.220 1.00 0.00 WT3 H ATOM 45427 OH2 TIP3 7580 0.024 1.601 -1.550 1.00 0.00 WT3 O ATOM 45428 H1 TIP3 7580 0.831 3.505 -6.677 1.00 0.00 WT3 H ATOM 45429 H2 TIP3 7580 2.296 14.454 -8.898 1.00 0.00 WT3 H ATOM 45430 OH2 TIP3 7581 -4.778 -2.596 -3.413 1.00 0.00 WT3 O ATOM 45431 H1 TIP3 7581 5.459 -4.181 8.199 1.00 0.00 WT3 H ATOM 45432 H2 TIP3 7581 -23.788 -1.404 -8.243 1.00 0.00 WT3 H ATOM 45433 OH2 TIP3 7582 -3.807 5.012 2.859 1.00 0.00 WT3 O ATOM 45434 H1 TIP3 7582 -17.949 -8.662 7.290 1.00 0.00 WT3 H ATOM 45435 H2 TIP3 7582 -21.870 -17.085 -14.788 1.00 0.00 WT3 H ATOM 45436 OH2 TIP3 7584 0.422 1.198 0.321 1.00 0.00 WT3 O ATOM 45437 H1 TIP3 7584 -17.900 -11.119 -11.322 1.00 0.00 WT3 H ATOM 45438 H2 TIP3 7584 -9.069 14.938 16.288 1.00 0.00 WT3 H ATOM 45439 OH2 TIP3 7585 5.508 1.305 -2.646 1.00 0.00 WT3 O ATOM 45440 H1 TIP3 7585 0.369 0.478 -1.949 1.00 0.00 WT3 H ATOM 45441 H2 TIP3 7585 -16.376 12.711 4.025 1.00 0.00 WT3 H ATOM 45442 OH2 TIP3 7586 -4.929 -6.207 -2.682 1.00 0.00 WT3 O ATOM 45443 H1 TIP3 7586 0.176 -7.619 -9.819 1.00 0.00 WT3 H ATOM 45444 H2 TIP3 7586 0.511 -6.595 -2.688 1.00 0.00 WT3 H ATOM 45445 OH2 TIP3 7587 1.322 -0.372 0.803 1.00 0.00 WT3 O ATOM 45446 H1 TIP3 7587 1.335 0.926 3.693 1.00 0.00 WT3 H ATOM 45447 H2 TIP3 7587 1.230 -25.365 -5.618 1.00 0.00 WT3 H ATOM 45448 OH2 TIP3 7588 0.437 -2.876 1.600 1.00 0.00 WT3 O ATOM 45449 H1 TIP3 7588 -1.954 -3.999 5.063 1.00 0.00 WT3 H ATOM 45450 H2 TIP3 7588 13.489 -4.360 31.179 1.00 0.00 WT3 H ATOM 45451 OH2 TIP3 7589 -3.092 -2.932 2.532 1.00 0.00 WT3 O ATOM 45452 H1 TIP3 7589 -2.333 -13.032 10.387 1.00 0.00 WT3 H ATOM 45453 H2 TIP3 7589 8.180 0.926 -1.613 1.00 0.00 WT3 H ATOM 45454 OH2 TIP3 7590 2.422 0.240 1.399 1.00 0.00 WT3 O ATOM 45455 H1 TIP3 7590 13.480 -3.636 -4.097 1.00 0.00 WT3 H ATOM 45456 H2 TIP3 7590 17.065 -3.217 -3.692 1.00 0.00 WT3 H ATOM 45457 OH2 TIP3 7591 2.288 -1.767 6.001 1.00 0.00 WT3 O ATOM 45458 H1 TIP3 7591 7.199 1.555 7.807 1.00 0.00 WT3 H ATOM 45459 H2 TIP3 7591 14.177 -13.094 -1.394 1.00 0.00 WT3 H ATOM 45460 OH2 TIP3 7592 0.957 0.240 -3.891 1.00 0.00 WT3 O ATOM 45461 H1 TIP3 7592 -20.976 -6.823 0.213 1.00 0.00 WT3 H ATOM 45462 H2 TIP3 7592 -8.082 0.062 -2.524 1.00 0.00 WT3 H ATOM 45463 OH2 TIP3 7593 0.467 -1.165 -1.959 1.00 0.00 WT3 O ATOM 45464 H1 TIP3 7593 9.302 4.278 -0.305 1.00 0.00 WT3 H ATOM 45465 H2 TIP3 7593 -0.189 10.355 -0.921 1.00 0.00 WT3 H ATOM 45466 OH2 TIP3 7594 1.357 2.176 1.301 1.00 0.00 WT3 O ATOM 45467 H1 TIP3 7594 15.732 1.090 1.850 1.00 0.00 WT3 H ATOM 45468 H2 TIP3 7594 -2.975 0.358 4.171 1.00 0.00 WT3 H ATOM 45469 OH2 TIP3 7595 5.903 -0.587 -7.240 1.00 0.00 WT3 O ATOM 45470 H1 TIP3 7595 17.664 1.302 -0.646 1.00 0.00 WT3 H ATOM 45471 H2 TIP3 7595 8.898 -9.960 -16.570 1.00 0.00 WT3 H ATOM 45472 OH2 TIP3 7596 1.305 -3.081 3.030 1.00 0.00 WT3 O ATOM 45473 H1 TIP3 7596 4.847 -5.809 5.432 1.00 0.00 WT3 H ATOM 45474 H2 TIP3 7596 -13.438 -5.208 3.275 1.00 0.00 WT3 H ATOM 45475 OH2 TIP3 7597 0.127 -2.765 4.907 1.00 0.00 WT3 O ATOM 45476 H1 TIP3 7597 3.058 -12.593 8.337 1.00 0.00 WT3 H ATOM 45477 H2 TIP3 7597 -0.958 12.128 -3.339 1.00 0.00 WT3 H ATOM 45478 OH2 TIP3 7598 -6.298 0.738 3.268 1.00 0.00 WT3 O ATOM 45479 H1 TIP3 7598 -5.568 -0.537 -13.623 1.00 0.00 WT3 H ATOM 45480 H2 TIP3 7598 -5.719 -0.360 -4.868 1.00 0.00 WT3 H ATOM 45481 OH2 TIP3 7599 2.945 0.671 -2.780 1.00 0.00 WT3 O ATOM 45482 H1 TIP3 7599 8.675 15.353 13.928 1.00 0.00 WT3 H ATOM 45483 H2 TIP3 7599 -16.467 -9.929 6.713 1.00 0.00 WT3 H ATOM 45484 OH2 TIP3 7600 -0.431 6.370 -1.294 1.00 0.00 WT3 O ATOM 45485 H1 TIP3 7600 18.202 4.553 0.265 1.00 0.00 WT3 H ATOM 45486 H2 TIP3 7600 7.926 11.870 -0.667 1.00 0.00 WT3 H ATOM 45487 OH2 TIP3 7602 -2.449 -1.952 -5.391 1.00 0.00 WT3 O ATOM 45488 H1 TIP3 7602 -15.598 0.871 -0.090 1.00 0.00 WT3 H ATOM 45489 H2 TIP3 7602 5.899 -3.440 -3.093 1.00 0.00 WT3 H ATOM 45490 OH2 TIP3 7604 -1.873 -5.176 3.457 1.00 0.00 WT3 O ATOM 45491 H1 TIP3 7604 2.860 -13.096 -1.086 1.00 0.00 WT3 H ATOM 45492 H2 TIP3 7604 3.507 5.570 0.212 1.00 0.00 WT3 H ATOM 45493 OH2 TIP3 7605 -3.723 0.512 -0.195 1.00 0.00 WT3 O ATOM 45494 H1 TIP3 7605 -10.384 -18.283 2.456 1.00 0.00 WT3 H ATOM 45495 H2 TIP3 7605 -7.522 5.783 -16.093 1.00 0.00 WT3 H ATOM 45496 OH2 TIP3 7606 -2.350 0.681 1.252 1.00 0.00 WT3 O ATOM 45497 H1 TIP3 7606 -24.921 -1.143 -7.538 1.00 0.00 WT3 H ATOM 45498 H2 TIP3 7606 10.396 9.424 -22.543 1.00 0.00 WT3 H ATOM 45499 OH2 TIP3 7608 3.802 -1.874 -6.935 1.00 0.00 WT3 O ATOM 45500 H1 TIP3 7608 10.270 17.904 -8.348 1.00 0.00 WT3 H ATOM 45501 H2 TIP3 7608 -10.361 -10.383 -32.869 1.00 0.00 WT3 H ATOM 45502 OH2 TIP3 7609 -4.023 -3.667 -1.401 1.00 0.00 WT3 O ATOM 45503 H1 TIP3 7609 6.836 26.174 15.553 1.00 0.00 WT3 H ATOM 45504 H2 TIP3 7609 -8.013 0.569 -0.081 1.00 0.00 WT3 H ATOM 45505 OH2 TIP3 7610 -11.802 -2.586 4.393 1.00 0.00 WT3 O ATOM 45506 H1 TIP3 7610 -4.368 15.653 -8.326 1.00 0.00 WT3 H ATOM 45507 H2 TIP3 7610 -0.477 2.805 3.821 1.00 0.00 WT3 H ATOM 45508 OH2 TIP3 7611 -8.159 5.332 -0.855 1.00 0.00 WT3 O ATOM 45509 H1 TIP3 7611 -5.519 -5.310 -6.087 1.00 0.00 WT3 H ATOM 45510 H2 TIP3 7611 -26.281 10.428 8.415 1.00 0.00 WT3 H ATOM 45511 OH2 TIP3 7612 -1.398 0.864 -1.538 1.00 0.00 WT3 O ATOM 45512 H1 TIP3 7612 -6.259 -11.783 7.715 1.00 0.00 WT3 H ATOM 45513 H2 TIP3 7612 -6.468 -13.103 -12.662 1.00 0.00 WT3 H ATOM 45514 OH2 TIP3 7613 -2.447 3.194 1.389 1.00 0.00 WT3 O ATOM 45515 H1 TIP3 7613 3.971 -9.595 -9.688 1.00 0.00 WT3 H ATOM 45516 H2 TIP3 7613 8.567 3.642 7.742 1.00 0.00 WT3 H ATOM 45517 OH2 TIP3 7614 2.272 -3.712 8.731 1.00 0.00 WT3 O ATOM 45518 H1 TIP3 7614 0.222 19.145 17.878 1.00 0.00 WT3 H ATOM 45519 H2 TIP3 7614 2.497 -4.356 26.781 1.00 0.00 WT3 H ATOM 45520 OH2 TIP3 7615 -1.533 -5.515 3.456 1.00 0.00 WT3 O ATOM 45521 H1 TIP3 7615 -5.097 -3.188 18.375 1.00 0.00 WT3 H ATOM 45522 H2 TIP3 7615 -9.542 4.804 -8.660 1.00 0.00 WT3 H ATOM 45523 OH2 TIP3 7616 -4.315 1.051 -1.605 1.00 0.00 WT3 O ATOM 45524 H1 TIP3 7616 -21.722 -6.488 -25.834 1.00 0.00 WT3 H ATOM 45525 H2 TIP3 7616 -11.721 -1.746 -10.246 1.00 0.00 WT3 H ATOM 45526 OH2 TIP3 7617 -2.074 -1.039 8.615 1.00 0.00 WT3 O ATOM 45527 H1 TIP3 7617 -0.350 -0.943 13.856 1.00 0.00 WT3 H ATOM 45528 H2 TIP3 7617 -6.231 -3.716 14.386 1.00 0.00 WT3 H ATOM 45529 OH2 TIP3 7618 1.944 0.775 5.022 1.00 0.00 WT3 O ATOM 45530 H1 TIP3 7618 -6.092 -2.650 9.295 1.00 0.00 WT3 H ATOM 45531 H2 TIP3 7618 1.788 0.634 17.456 1.00 0.00 WT3 H ATOM 45532 OH2 TIP3 7619 0.676 0.138 -2.969 1.00 0.00 WT3 O ATOM 45533 H1 TIP3 7619 -4.172 4.246 13.993 1.00 0.00 WT3 H ATOM 45534 H2 TIP3 7619 -2.233 13.066 -12.785 1.00 0.00 WT3 H ATOM 45535 OH2 TIP3 7620 -1.172 6.187 8.035 1.00 0.00 WT3 O ATOM 45536 H1 TIP3 7620 1.455 35.377 -7.009 1.00 0.00 WT3 H ATOM 45537 H2 TIP3 7620 -9.478 -18.544 -5.934 1.00 0.00 WT3 H ATOM 45538 OH2 TIP3 7621 0.948 -0.456 -4.077 1.00 0.00 WT3 O ATOM 45539 H1 TIP3 7621 -28.764 18.355 -45.099 1.00 0.00 WT3 H ATOM 45540 H2 TIP3 7621 12.355 -16.261 21.630 1.00 0.00 WT3 H ATOM 45541 OH2 TIP3 7623 0.308 -1.638 -4.726 1.00 0.00 WT3 O ATOM 45542 H1 TIP3 7623 6.002 -6.357 -11.810 1.00 0.00 WT3 H ATOM 45543 H2 TIP3 7623 -6.643 39.860 -6.139 1.00 0.00 WT3 H ATOM 45544 OH2 TIP3 7624 0.715 -1.978 2.891 1.00 0.00 WT3 O ATOM 45545 H1 TIP3 7624 -10.628 -6.226 3.477 1.00 0.00 WT3 H ATOM 45546 H2 TIP3 7624 2.070 7.833 10.649 1.00 0.00 WT3 H ATOM 45547 OH2 TIP3 7625 3.445 2.287 8.262 1.00 0.00 WT3 O ATOM 45548 H1 TIP3 7625 16.468 -29.065 -15.706 1.00 0.00 WT3 H ATOM 45549 H2 TIP3 7625 22.542 -16.062 3.597 1.00 0.00 WT3 H ATOM 45550 OH2 TIP3 7626 7.247 -1.892 3.361 1.00 0.00 WT3 O ATOM 45551 H1 TIP3 7626 6.129 -9.365 14.050 1.00 0.00 WT3 H ATOM 45552 H2 TIP3 7626 1.178 -14.233 7.617 1.00 0.00 WT3 H ATOM 45553 OH2 TIP3 7627 5.208 4.891 2.394 1.00 0.00 WT3 O ATOM 45554 H1 TIP3 7627 -8.317 18.877 -1.205 1.00 0.00 WT3 H ATOM 45555 H2 TIP3 7627 3.908 10.379 2.742 1.00 0.00 WT3 H ATOM 45556 OH2 TIP3 7628 2.572 -3.586 -2.531 1.00 0.00 WT3 O ATOM 45557 H1 TIP3 7628 -3.630 -3.493 -2.876 1.00 0.00 WT3 H ATOM 45558 H2 TIP3 7628 1.475 -8.366 16.857 1.00 0.00 WT3 H ATOM 45559 OH2 TIP3 7629 4.663 -4.570 2.651 1.00 0.00 WT3 O ATOM 45560 H1 TIP3 7629 -2.396 -36.698 0.734 1.00 0.00 WT3 H ATOM 45561 H2 TIP3 7629 -20.733 1.553 -10.150 1.00 0.00 WT3 H ATOM 45562 OH2 TIP3 7630 -4.273 0.137 6.502 1.00 0.00 WT3 O ATOM 45563 H1 TIP3 7630 3.605 -2.344 15.943 1.00 0.00 WT3 H ATOM 45564 H2 TIP3 7630 19.961 -11.107 -16.950 1.00 0.00 WT3 H ATOM 45565 OH2 TIP3 7631 -1.413 -0.406 0.345 1.00 0.00 WT3 O ATOM 45566 H1 TIP3 7631 -7.086 16.189 -9.301 1.00 0.00 WT3 H ATOM 45567 H2 TIP3 7631 1.608 -15.446 10.749 1.00 0.00 WT3 H ATOM 45568 OH2 TIP3 7632 -4.346 -1.693 -1.751 1.00 0.00 WT3 O ATOM 45569 H1 TIP3 7632 -5.103 -4.758 -5.084 1.00 0.00 WT3 H ATOM 45570 H2 TIP3 7632 -8.431 0.684 -1.986 1.00 0.00 WT3 H ATOM 45571 OH2 TIP3 7633 0.143 -6.137 0.444 1.00 0.00 WT3 O ATOM 45572 H1 TIP3 7633 27.693 6.089 -11.014 1.00 0.00 WT3 H ATOM 45573 H2 TIP3 7633 -42.141 -0.987 11.781 1.00 0.00 WT3 H ATOM 45574 OH2 TIP3 7634 -9.478 1.011 4.884 1.00 0.00 WT3 O ATOM 45575 H1 TIP3 7634 6.738 30.848 10.312 1.00 0.00 WT3 H ATOM 45576 H2 TIP3 7634 -5.859 -13.051 -17.697 1.00 0.00 WT3 H ATOM 45577 OH2 TIP3 7635 -0.127 6.341 2.282 1.00 0.00 WT3 O ATOM 45578 H1 TIP3 7635 -32.275 7.804 -11.739 1.00 0.00 WT3 H ATOM 45579 H2 TIP3 7635 -21.796 -10.787 15.498 1.00 0.00 WT3 H ATOM 45580 OH2 TIP3 7636 6.012 -4.382 3.116 1.00 0.00 WT3 O ATOM 45581 H1 TIP3 7636 2.871 -13.640 16.129 1.00 0.00 WT3 H ATOM 45582 H2 TIP3 7636 -4.185 -3.614 -4.934 1.00 0.00 WT3 H ATOM 45583 OH2 TIP3 7637 -4.932 2.792 3.704 1.00 0.00 WT3 O ATOM 45584 H1 TIP3 7637 -21.479 1.183 -2.318 1.00 0.00 WT3 H ATOM 45585 H2 TIP3 7637 4.911 1.833 12.932 1.00 0.00 WT3 H ATOM 45586 OH2 TIP3 7638 3.847 -2.154 -7.279 1.00 0.00 WT3 O ATOM 45587 H1 TIP3 7638 -0.648 -11.479 -15.253 1.00 0.00 WT3 H ATOM 45588 H2 TIP3 7638 15.149 -4.619 -2.625 1.00 0.00 WT3 H ATOM 45589 OH2 TIP3 7639 0.518 -2.032 0.288 1.00 0.00 WT3 O ATOM 45590 H1 TIP3 7639 -14.011 -10.255 -4.514 1.00 0.00 WT3 H ATOM 45591 H2 TIP3 7639 -4.752 5.860 11.261 1.00 0.00 WT3 H ATOM 45592 OH2 TIP3 7640 -0.500 -2.386 -2.637 1.00 0.00 WT3 O ATOM 45593 H1 TIP3 7640 0.839 -15.037 10.666 1.00 0.00 WT3 H ATOM 45594 H2 TIP3 7640 7.228 4.615 6.709 1.00 0.00 WT3 H ATOM 45595 OH2 TIP3 7641 -5.028 3.095 -4.398 1.00 0.00 WT3 O ATOM 45596 H1 TIP3 7641 1.544 5.466 5.717 1.00 0.00 WT3 H ATOM 45597 H2 TIP3 7641 16.100 8.129 -15.829 1.00 0.00 WT3 H ATOM 45598 OH2 TIP3 7642 1.626 0.546 -8.144 1.00 0.00 WT3 O ATOM 45599 H1 TIP3 7642 -26.264 -4.063 6.533 1.00 0.00 WT3 H ATOM 45600 H2 TIP3 7642 10.718 28.705 -0.726 1.00 0.00 WT3 H ATOM 45601 OH2 TIP3 7643 -4.437 -1.440 -1.360 1.00 0.00 WT3 O ATOM 45602 H1 TIP3 7643 0.779 1.788 -3.227 1.00 0.00 WT3 H ATOM 45603 H2 TIP3 7643 -3.962 -0.194 -3.751 1.00 0.00 WT3 H ATOM 45604 OH2 TIP3 7644 -2.946 2.318 1.052 1.00 0.00 WT3 O ATOM 45605 H1 TIP3 7644 -18.064 -16.119 4.397 1.00 0.00 WT3 H ATOM 45606 H2 TIP3 7644 10.120 11.574 -5.286 1.00 0.00 WT3 H ATOM 45607 OH2 TIP3 7645 0.289 -0.929 3.873 1.00 0.00 WT3 O ATOM 45608 H1 TIP3 7645 3.947 -11.427 1.742 1.00 0.00 WT3 H ATOM 45609 H2 TIP3 7645 5.556 0.315 1.172 1.00 0.00 WT3 H ATOM 45610 OH2 TIP3 7646 -0.318 4.027 -0.713 1.00 0.00 WT3 O ATOM 45611 H1 TIP3 7646 4.389 5.088 9.189 1.00 0.00 WT3 H ATOM 45612 H2 TIP3 7646 5.586 9.529 -2.400 1.00 0.00 WT3 H ATOM 45613 OH2 TIP3 7647 8.700 -4.663 -5.380 1.00 0.00 WT3 O ATOM 45614 H1 TIP3 7647 -1.014 -0.635 22.589 1.00 0.00 WT3 H ATOM 45615 H2 TIP3 7647 -0.183 0.527 5.417 1.00 0.00 WT3 H ATOM 45616 OH2 TIP3 7649 1.514 0.635 -2.403 1.00 0.00 WT3 O ATOM 45617 H1 TIP3 7649 16.406 13.993 8.773 1.00 0.00 WT3 H ATOM 45618 H2 TIP3 7649 -13.812 -16.724 -9.648 1.00 0.00 WT3 H ATOM 45619 OH2 TIP3 7650 -0.866 -4.195 1.442 1.00 0.00 WT3 O ATOM 45620 H1 TIP3 7650 -4.654 -3.478 -7.678 1.00 0.00 WT3 H ATOM 45621 H2 TIP3 7650 -7.145 -3.125 2.634 1.00 0.00 WT3 H ATOM 45622 OH2 TIP3 7651 -1.310 8.611 1.607 1.00 0.00 WT3 O ATOM 45623 H1 TIP3 7651 3.854 3.288 -0.614 1.00 0.00 WT3 H ATOM 45624 H2 TIP3 7651 14.677 9.585 -7.822 1.00 0.00 WT3 H ATOM 45625 OH2 TIP3 7652 -3.017 1.431 0.701 1.00 0.00 WT3 O ATOM 45626 H1 TIP3 7652 -5.272 1.850 5.953 1.00 0.00 WT3 H ATOM 45627 H2 TIP3 7652 -6.709 2.209 -2.026 1.00 0.00 WT3 H ATOM 45628 OH2 TIP3 7653 0.989 0.877 0.119 1.00 0.00 WT3 O ATOM 45629 H1 TIP3 7653 7.415 -14.960 16.854 1.00 0.00 WT3 H ATOM 45630 H2 TIP3 7653 -3.548 0.558 10.244 1.00 0.00 WT3 H ATOM 45631 OH2 TIP3 7654 1.729 0.987 1.986 1.00 0.00 WT3 O ATOM 45632 H1 TIP3 7654 -17.779 11.224 -4.774 1.00 0.00 WT3 H ATOM 45633 H2 TIP3 7654 4.886 -1.669 2.442 1.00 0.00 WT3 H ATOM 45634 OH2 TIP3 7656 -0.631 5.007 -9.938 1.00 0.00 WT3 O ATOM 45635 H1 TIP3 7656 -0.331 17.695 -7.728 1.00 0.00 WT3 H ATOM 45636 H2 TIP3 7656 9.485 4.937 -11.097 1.00 0.00 WT3 H ATOM 45637 OH2 TIP3 7657 -1.422 4.219 -4.671 1.00 0.00 WT3 O ATOM 45638 H1 TIP3 7657 1.047 -5.827 -29.484 1.00 0.00 WT3 H ATOM 45639 H2 TIP3 7657 6.605 1.819 8.344 1.00 0.00 WT3 H ATOM 45640 OH2 TIP3 7658 -2.472 5.470 -1.638 1.00 0.00 WT3 O ATOM 45641 H1 TIP3 7658 0.034 -2.372 16.607 1.00 0.00 WT3 H ATOM 45642 H2 TIP3 7658 5.082 24.012 -0.796 1.00 0.00 WT3 H ATOM 45643 OH2 TIP3 7659 2.624 2.765 1.686 1.00 0.00 WT3 O ATOM 45644 H1 TIP3 7659 18.196 22.901 -9.129 1.00 0.00 WT3 H ATOM 45645 H2 TIP3 7659 18.690 -6.462 26.865 1.00 0.00 WT3 H ATOM 45646 OH2 TIP3 7661 4.429 0.348 -8.069 1.00 0.00 WT3 O ATOM 45647 H1 TIP3 7661 -2.728 -9.776 4.532 1.00 0.00 WT3 H ATOM 45648 H2 TIP3 7661 11.180 -4.158 -8.912 1.00 0.00 WT3 H ATOM 45649 OH2 TIP3 7663 -0.082 -3.526 0.510 1.00 0.00 WT3 O ATOM 45650 H1 TIP3 7663 5.498 43.285 16.984 1.00 0.00 WT3 H ATOM 45651 H2 TIP3 7663 4.149 35.929 6.159 1.00 0.00 WT3 H ATOM 45652 OH2 TIP3 7664 0.377 -3.276 -1.830 1.00 0.00 WT3 O ATOM 45653 H1 TIP3 7664 1.025 -3.604 -3.931 1.00 0.00 WT3 H ATOM 45654 H2 TIP3 7664 2.089 -4.383 -4.097 1.00 0.00 WT3 H ATOM 45655 OH2 TIP3 7665 -0.466 -3.070 7.504 1.00 0.00 WT3 O ATOM 45656 H1 TIP3 7665 -20.112 -22.138 -6.817 1.00 0.00 WT3 H ATOM 45657 H2 TIP3 7665 -7.959 -15.425 -12.952 1.00 0.00 WT3 H ATOM 45658 OH2 TIP3 7666 2.445 0.455 1.622 1.00 0.00 WT3 O ATOM 45659 H1 TIP3 7666 -13.307 -4.020 -7.161 1.00 0.00 WT3 H ATOM 45660 H2 TIP3 7666 6.497 -19.130 25.545 1.00 0.00 WT3 H ATOM 45661 OH2 TIP3 7668 2.471 4.134 -4.771 1.00 0.00 WT3 O ATOM 45662 H1 TIP3 7668 10.864 11.766 12.992 1.00 0.00 WT3 H ATOM 45663 H2 TIP3 7668 9.449 -5.797 13.012 1.00 0.00 WT3 H ATOM 45664 OH2 TIP3 7669 3.959 8.518 5.848 1.00 0.00 WT3 O ATOM 45665 H1 TIP3 7669 -0.105 12.754 3.855 1.00 0.00 WT3 H ATOM 45666 H2 TIP3 7669 -6.939 -0.176 3.184 1.00 0.00 WT3 H ATOM 45667 OH2 TIP3 7670 -2.538 -2.304 0.697 1.00 0.00 WT3 O ATOM 45668 H1 TIP3 7670 4.361 -2.429 21.774 1.00 0.00 WT3 H ATOM 45669 H2 TIP3 7670 5.893 -11.792 -2.398 1.00 0.00 WT3 H ATOM 45670 OH2 TIP3 7671 0.859 -7.491 2.022 1.00 0.00 WT3 O ATOM 45671 H1 TIP3 7671 -1.224 -4.571 4.407 1.00 0.00 WT3 H ATOM 45672 H2 TIP3 7671 6.366 -2.638 -3.768 1.00 0.00 WT3 H ATOM 45673 OH2 TIP3 7674 -4.949 0.473 -3.939 1.00 0.00 WT3 O ATOM 45674 H1 TIP3 7674 -2.857 -4.364 6.864 1.00 0.00 WT3 H ATOM 45675 H2 TIP3 7674 -8.171 11.967 -15.073 1.00 0.00 WT3 H ATOM 45676 OH2 TIP3 7675 -0.368 -3.058 4.918 1.00 0.00 WT3 O ATOM 45677 H1 TIP3 7675 -23.119 -9.254 23.366 1.00 0.00 WT3 H ATOM 45678 H2 TIP3 7675 22.492 -0.772 19.181 1.00 0.00 WT3 H ATOM 45679 OH2 TIP3 7676 -0.175 -2.187 -4.023 1.00 0.00 WT3 O ATOM 45680 H1 TIP3 7676 -7.766 -12.285 5.114 1.00 0.00 WT3 H ATOM 45681 H2 TIP3 7676 4.629 8.892 6.311 1.00 0.00 WT3 H ATOM 45682 OH2 TIP3 7677 -0.195 6.579 -2.623 1.00 0.00 WT3 O ATOM 45683 H1 TIP3 7677 -1.481 -6.315 -5.833 1.00 0.00 WT3 H ATOM 45684 H2 TIP3 7677 -3.042 -0.900 -1.951 1.00 0.00 WT3 H ATOM 45685 OH2 TIP3 7678 -0.438 -0.378 -4.008 1.00 0.00 WT3 O ATOM 45686 H1 TIP3 7678 -13.331 5.385 -8.302 1.00 0.00 WT3 H ATOM 45687 H2 TIP3 7678 6.604 -7.937 10.214 1.00 0.00 WT3 H ATOM 45688 OH2 TIP3 7679 -3.028 0.741 1.176 1.00 0.00 WT3 O ATOM 45689 H1 TIP3 7679 -0.179 4.357 -4.487 1.00 0.00 WT3 H ATOM 45690 H2 TIP3 7679 -2.628 2.366 3.052 1.00 0.00 WT3 H ATOM 45691 OH2 TIP3 7680 5.536 -4.815 5.796 1.00 0.00 WT3 O ATOM 45692 H1 TIP3 7680 -1.225 -4.308 3.590 1.00 0.00 WT3 H ATOM 45693 H2 TIP3 7680 -1.319 -3.629 3.267 1.00 0.00 WT3 H ATOM 45694 OH2 TIP3 7681 -0.927 -0.918 -0.789 1.00 0.00 WT3 O ATOM 45695 H1 TIP3 7681 16.351 4.485 -14.898 1.00 0.00 WT3 H ATOM 45696 H2 TIP3 7681 19.597 -13.812 -3.019 1.00 0.00 WT3 H ATOM 45697 OH2 TIP3 7682 2.895 -7.392 -5.946 1.00 0.00 WT3 O ATOM 45698 H1 TIP3 7682 -2.412 -8.409 -0.803 1.00 0.00 WT3 H ATOM 45699 H2 TIP3 7682 7.511 -14.683 29.202 1.00 0.00 WT3 H ATOM 45700 OH2 TIP3 7683 3.677 -1.401 -2.848 1.00 0.00 WT3 O ATOM 45701 H1 TIP3 7683 12.265 -1.596 -11.291 1.00 0.00 WT3 H ATOM 45702 H2 TIP3 7683 -5.858 -10.943 -27.609 1.00 0.00 WT3 H ATOM 45703 OH2 TIP3 7684 -1.580 7.029 -2.548 1.00 0.00 WT3 O ATOM 45704 H1 TIP3 7684 -2.335 -6.889 19.518 1.00 0.00 WT3 H ATOM 45705 H2 TIP3 7684 -29.708 -12.691 -21.414 1.00 0.00 WT3 H ATOM 45706 OH2 TIP3 7685 2.780 0.568 -4.598 1.00 0.00 WT3 O ATOM 45707 H1 TIP3 7685 -1.603 -8.226 0.905 1.00 0.00 WT3 H ATOM 45708 H2 TIP3 7685 -18.634 -15.930 6.491 1.00 0.00 WT3 H ATOM 45709 OH2 TIP3 7686 3.906 5.130 -2.898 1.00 0.00 WT3 O ATOM 45710 H1 TIP3 7686 0.531 28.065 -20.762 1.00 0.00 WT3 H ATOM 45711 H2 TIP3 7686 -14.301 5.022 29.160 1.00 0.00 WT3 H ATOM 45712 OH2 TIP3 7690 1.025 2.396 -1.068 1.00 0.00 WT3 O ATOM 45713 H1 TIP3 7690 -4.624 5.549 -2.665 1.00 0.00 WT3 H ATOM 45714 H2 TIP3 7690 -3.763 10.058 -6.505 1.00 0.00 WT3 H ATOM 45715 OH2 TIP3 7691 -2.324 -4.619 -3.400 1.00 0.00 WT3 O ATOM 45716 H1 TIP3 7691 -14.059 -6.125 -4.439 1.00 0.00 WT3 H ATOM 45717 H2 TIP3 7691 -2.191 -4.315 -3.056 1.00 0.00 WT3 H ATOM 45718 OH2 TIP3 7694 -6.978 -0.272 -0.601 1.00 0.00 WT3 O ATOM 45719 H1 TIP3 7694 -5.840 -5.612 1.314 1.00 0.00 WT3 H ATOM 45720 H2 TIP3 7694 0.507 -6.285 -7.191 1.00 0.00 WT3 H ATOM 45721 OH2 TIP3 7695 1.985 -1.450 0.719 1.00 0.00 WT3 O ATOM 45722 H1 TIP3 7695 14.314 4.859 7.050 1.00 0.00 WT3 H ATOM 45723 H2 TIP3 7695 -9.550 10.454 9.955 1.00 0.00 WT3 H ATOM 45724 OH2 TIP3 7696 2.273 -2.753 4.924 1.00 0.00 WT3 O ATOM 45725 H1 TIP3 7696 12.893 -4.697 -0.578 1.00 0.00 WT3 H ATOM 45726 H2 TIP3 7696 17.644 -4.752 4.761 1.00 0.00 WT3 H ATOM 45727 OH2 TIP3 7697 -4.812 -4.266 3.746 1.00 0.00 WT3 O ATOM 45728 H1 TIP3 7697 -4.017 22.347 2.025 1.00 0.00 WT3 H ATOM 45729 H2 TIP3 7697 -4.087 -17.334 4.256 1.00 0.00 WT3 H ATOM 45730 OH2 TIP3 7698 -10.106 -6.085 -3.631 1.00 0.00 WT3 O ATOM 45731 H1 TIP3 7698 -2.175 -13.679 6.021 1.00 0.00 WT3 H ATOM 45732 H2 TIP3 7698 -3.427 -18.185 -8.819 1.00 0.00 WT3 H ATOM 45733 OH2 TIP3 7700 -1.824 6.257 0.468 1.00 0.00 WT3 O ATOM 45734 H1 TIP3 7700 -1.047 5.680 15.414 1.00 0.00 WT3 H ATOM 45735 H2 TIP3 7700 0.693 -10.403 26.148 1.00 0.00 WT3 H ATOM 45736 OH2 TIP3 7701 -4.458 0.143 -5.170 1.00 0.00 WT3 O ATOM 45737 H1 TIP3 7701 -4.640 -14.181 16.878 1.00 0.00 WT3 H ATOM 45738 H2 TIP3 7701 -0.132 -3.427 19.960 1.00 0.00 WT3 H ATOM 45739 OH2 TIP3 7702 -12.986 1.003 -3.001 1.00 0.00 WT3 O ATOM 45740 H1 TIP3 7702 -10.014 0.634 3.237 1.00 0.00 WT3 H ATOM 45741 H2 TIP3 7702 -14.252 0.989 -6.732 1.00 0.00 WT3 H ATOM 45742 OH2 TIP3 7704 4.935 3.678 -4.858 1.00 0.00 WT3 O ATOM 45743 H1 TIP3 7704 5.768 3.938 -5.113 1.00 0.00 WT3 H ATOM 45744 H2 TIP3 7704 2.511 8.072 1.867 1.00 0.00 WT3 H ATOM 45745 OH2 TIP3 7705 -7.289 -2.422 -0.433 1.00 0.00 WT3 O ATOM 45746 H1 TIP3 7705 -18.455 -7.319 -10.911 1.00 0.00 WT3 H ATOM 45747 H2 TIP3 7705 -0.474 -8.873 -4.917 1.00 0.00 WT3 H ATOM 45748 OH2 TIP3 7706 2.961 1.316 3.417 1.00 0.00 WT3 O ATOM 45749 H1 TIP3 7706 0.007 -12.665 -13.967 1.00 0.00 WT3 H ATOM 45750 H2 TIP3 7706 7.255 13.540 15.302 1.00 0.00 WT3 H ATOM 45751 OH2 TIP3 7707 -2.096 3.591 3.701 1.00 0.00 WT3 O ATOM 45752 H1 TIP3 7707 5.659 28.663 -6.624 1.00 0.00 WT3 H ATOM 45753 H2 TIP3 7707 -11.820 -32.479 21.793 1.00 0.00 WT3 H ATOM 45754 OH2 TIP3 7708 2.290 0.322 0.669 1.00 0.00 WT3 O ATOM 45755 H1 TIP3 7708 -1.840 -17.945 9.675 1.00 0.00 WT3 H ATOM 45756 H2 TIP3 7708 -13.103 -16.314 -9.282 1.00 0.00 WT3 H ATOM 45757 OH2 TIP3 7709 1.515 6.600 4.678 1.00 0.00 WT3 O ATOM 45758 H1 TIP3 7709 2.881 1.931 -1.584 1.00 0.00 WT3 H ATOM 45759 H2 TIP3 7709 17.845 11.422 0.260 1.00 0.00 WT3 H ATOM 45760 OH2 TIP3 7710 -2.598 -0.299 -1.937 1.00 0.00 WT3 O ATOM 45761 H1 TIP3 7710 -14.215 9.021 13.192 1.00 0.00 WT3 H ATOM 45762 H2 TIP3 7710 -1.645 -16.979 3.003 1.00 0.00 WT3 H ATOM 45763 OH2 TIP3 7712 4.117 4.605 -3.173 1.00 0.00 WT3 O ATOM 45764 H1 TIP3 7712 2.730 27.515 19.731 1.00 0.00 WT3 H ATOM 45765 H2 TIP3 7712 4.684 -19.836 4.877 1.00 0.00 WT3 H ATOM 45766 OH2 TIP3 7713 -2.973 -4.643 1.229 1.00 0.00 WT3 O ATOM 45767 H1 TIP3 7713 2.308 5.209 -17.171 1.00 0.00 WT3 H ATOM 45768 H2 TIP3 7713 -10.786 -25.561 17.739 1.00 0.00 WT3 H ATOM 45769 OH2 TIP3 7714 -4.372 3.242 -1.429 1.00 0.00 WT3 O ATOM 45770 H1 TIP3 7714 -11.182 3.476 11.757 1.00 0.00 WT3 H ATOM 45771 H2 TIP3 7714 8.315 -11.742 -0.060 1.00 0.00 WT3 H ATOM 45772 OH2 TIP3 7716 2.557 2.043 0.411 1.00 0.00 WT3 O ATOM 45773 H1 TIP3 7716 -3.374 -2.542 -10.137 1.00 0.00 WT3 H ATOM 45774 H2 TIP3 7716 -0.897 2.153 -0.208 1.00 0.00 WT3 H ATOM 45775 OH2 TIP3 7717 -2.553 -6.280 1.163 1.00 0.00 WT3 O ATOM 45776 H1 TIP3 7717 1.658 3.213 -12.188 1.00 0.00 WT3 H ATOM 45777 H2 TIP3 7717 0.586 13.592 -17.282 1.00 0.00 WT3 H ATOM 45778 OH2 TIP3 7721 -0.012 -1.613 -5.184 1.00 0.00 WT3 O ATOM 45779 H1 TIP3 7721 0.015 -5.428 20.450 1.00 0.00 WT3 H ATOM 45780 H2 TIP3 7721 -9.094 6.604 -7.137 1.00 0.00 WT3 H ATOM 45781 OH2 TIP3 7722 2.184 3.182 -9.144 1.00 0.00 WT3 O ATOM 45782 H1 TIP3 7722 2.922 -2.990 -9.349 1.00 0.00 WT3 H ATOM 45783 H2 TIP3 7722 6.247 -3.531 13.263 1.00 0.00 WT3 H ATOM 45784 OH2 TIP3 7723 3.353 -0.708 -1.483 1.00 0.00 WT3 O ATOM 45785 H1 TIP3 7723 1.776 5.225 -19.637 1.00 0.00 WT3 H ATOM 45786 H2 TIP3 7723 -0.301 0.638 0.842 1.00 0.00 WT3 H ATOM 45787 OH2 TIP3 7724 -0.106 1.827 6.171 1.00 0.00 WT3 O ATOM 45788 H1 TIP3 7724 -16.039 1.761 -6.356 1.00 0.00 WT3 H ATOM 45789 H2 TIP3 7724 21.771 12.205 26.097 1.00 0.00 WT3 H ATOM 45790 OH2 TIP3 7733 -3.355 0.077 3.129 1.00 0.00 WT3 O ATOM 45791 H1 TIP3 7733 -6.118 12.867 4.771 1.00 0.00 WT3 H ATOM 45792 H2 TIP3 7733 -21.428 -5.030 -10.394 1.00 0.00 WT3 H ATOM 45793 OH2 TIP3 7734 4.176 -8.558 1.558 1.00 0.00 WT3 O ATOM 45794 H1 TIP3 7734 -11.730 -17.935 -3.103 1.00 0.00 WT3 H ATOM 45795 H2 TIP3 7734 20.452 9.062 -13.331 1.00 0.00 WT3 H ATOM 45796 OH2 TIP3 7735 1.940 -3.756 -4.411 1.00 0.00 WT3 O ATOM 45797 H1 TIP3 7735 -8.465 -4.821 21.215 1.00 0.00 WT3 H ATOM 45798 H2 TIP3 7735 11.196 6.370 -2.809 1.00 0.00 WT3 H ATOM 45799 OH2 TIP3 7739 -1.594 -1.316 -3.256 1.00 0.00 WT3 O ATOM 45800 H1 TIP3 7739 6.665 -29.932 -2.169 1.00 0.00 WT3 H ATOM 45801 H2 TIP3 7739 21.904 34.895 -26.110 1.00 0.00 WT3 H ATOM 45802 OH2 TIP3 7743 -0.183 -3.857 -2.502 1.00 0.00 WT3 O ATOM 45803 H1 TIP3 7743 -10.243 2.678 3.051 1.00 0.00 WT3 H ATOM 45804 H2 TIP3 7743 -5.347 -14.761 -6.755 1.00 0.00 WT3 H ATOM 45805 OH2 TIP3 7744 0.869 3.538 1.611 1.00 0.00 WT3 O ATOM 45806 H1 TIP3 7744 -17.063 12.970 -1.263 1.00 0.00 WT3 H ATOM 45807 H2 TIP3 7744 2.296 10.256 8.650 1.00 0.00 WT3 H ATOM 45808 OH2 TIP3 7757 -0.745 0.847 -6.401 1.00 0.00 WT3 O ATOM 45809 H1 TIP3 7757 -27.422 -6.043 -0.196 1.00 0.00 WT3 H ATOM 45810 H2 TIP3 7757 3.498 2.890 -4.494 1.00 0.00 WT3 H ATOM 45811 OH2 TIP3 7791 -0.468 -1.587 -5.166 1.00 0.00 WT3 O ATOM 45812 H1 TIP3 7791 -12.574 -10.616 -8.678 1.00 0.00 WT3 H ATOM 45813 H2 TIP3 7791 17.489 -0.710 0.242 1.00 0.00 WT3 H ATOM 45814 OH2 TIP3 7855 3.604 -4.452 -1.707 1.00 0.00 WT3 O ATOM 45815 H1 TIP3 7855 -16.793 -3.837 -3.489 1.00 0.00 WT3 H ATOM 45816 H2 TIP3 7855 0.733 5.650 0.896 1.00 0.00 WT3 H ATOM 45817 OH2 TIP3 7867 -2.960 -2.509 -3.464 1.00 0.00 WT3 O ATOM 45818 H1 TIP3 7867 13.463 -6.528 -15.592 1.00 0.00 WT3 H ATOM 45819 H2 TIP3 7867 -2.469 -8.478 -6.161 1.00 0.00 WT3 H ATOM 45820 OH2 TIP3 7869 6.047 -9.338 -5.894 1.00 0.00 WT3 O ATOM 45821 H1 TIP3 7869 -16.401 12.438 -3.054 1.00 0.00 WT3 H ATOM 45822 H2 TIP3 7869 -11.459 8.785 -3.846 1.00 0.00 WT3 H ATOM 45823 OH2 TIP3 7872 5.207 -5.354 3.750 1.00 0.00 WT3 O ATOM 45824 H1 TIP3 7872 5.337 -20.798 -0.560 1.00 0.00 WT3 H ATOM 45825 H2 TIP3 7872 12.017 -0.777 -7.322 1.00 0.00 WT3 H ATOM 45826 OH2 TIP3 7876 4.149 3.781 -6.706 1.00 0.00 WT3 O ATOM 45827 H1 TIP3 7876 2.164 10.692 -8.010 1.00 0.00 WT3 H ATOM 45828 H2 TIP3 7876 11.975 -2.382 -12.216 1.00 0.00 WT3 H ATOM 45829 OH2 TIP3 7883 1.660 -5.991 -2.873 1.00 0.00 WT3 O ATOM 45830 H1 TIP3 7883 -28.891 -5.510 -7.930 1.00 0.00 WT3 H ATOM 45831 H2 TIP3 7883 1.748 22.875 -20.642 1.00 0.00 WT3 H ATOM 45832 OH2 TIP3 7886 1.511 -0.170 1.687 1.00 0.00 WT3 O ATOM 45833 H1 TIP3 7886 6.124 8.827 -10.928 1.00 0.00 WT3 H ATOM 45834 H2 TIP3 7886 6.796 1.257 12.481 1.00 0.00 WT3 H ATOM 45835 OH2 TIP3 7891 2.195 3.135 2.978 1.00 0.00 WT3 O ATOM 45836 H1 TIP3 7891 13.946 -0.983 -9.061 1.00 0.00 WT3 H ATOM 45837 H2 TIP3 7891 -7.984 3.659 13.094 1.00 0.00 WT3 H ATOM 45838 OH2 TIP3 7894 0.730 5.010 -4.887 1.00 0.00 WT3 O ATOM 45839 H1 TIP3 7894 5.053 17.970 -13.833 1.00 0.00 WT3 H ATOM 45840 H2 TIP3 7894 12.623 12.757 -14.690 1.00 0.00 WT3 H ATOM 45841 OH2 TIP3 7895 0.176 -4.520 -3.433 1.00 0.00 WT3 O ATOM 45842 H1 TIP3 7895 1.191 -2.200 -4.424 1.00 0.00 WT3 H ATOM 45843 H2 TIP3 7895 -0.498 -5.998 -5.689 1.00 0.00 WT3 H ATOM 45844 OH2 TIP3 7896 -0.529 -0.824 -2.649 1.00 0.00 WT3 O ATOM 45845 H1 TIP3 7896 1.077 -8.683 -13.848 1.00 0.00 WT3 H ATOM 45846 H2 TIP3 7896 -3.416 17.945 -0.216 1.00 0.00 WT3 H ATOM 45847 OH2 TIP3 7897 -4.748 -2.969 0.136 1.00 0.00 WT3 O ATOM 45848 H1 TIP3 7897 -3.306 0.739 5.044 1.00 0.00 WT3 H ATOM 45849 H2 TIP3 7897 -1.879 -4.645 21.719 1.00 0.00 WT3 H ATOM 45850 OH2 TIP3 7901 2.755 -3.298 -0.828 1.00 0.00 WT3 O ATOM 45851 H1 TIP3 7901 -11.033 1.109 8.643 1.00 0.00 WT3 H ATOM 45852 H2 TIP3 7901 -13.533 14.493 38.734 1.00 0.00 WT3 H ATOM 45853 OH2 TIP3 7908 0.515 -0.842 0.490 1.00 0.00 WT3 O ATOM 45854 H1 TIP3 7908 8.861 -10.597 -13.782 1.00 0.00 WT3 H ATOM 45855 H2 TIP3 7908 6.738 5.607 -0.494 1.00 0.00 WT3 H ATOM 45856 OH2 TIP3 7915 1.162 -4.315 1.404 1.00 0.00 WT3 O ATOM 45857 H1 TIP3 7915 -9.535 14.912 10.927 1.00 0.00 WT3 H ATOM 45858 H2 TIP3 7915 -10.075 -17.842 -16.491 1.00 0.00 WT3 H ATOM 45859 OH2 TIP3 7922 3.820 -0.245 -1.735 1.00 0.00 WT3 O ATOM 45860 H1 TIP3 7922 -4.594 -15.420 -28.226 1.00 0.00 WT3 H ATOM 45861 H2 TIP3 7922 -15.226 -11.577 1.630 1.00 0.00 WT3 H ATOM 45862 OH2 TIP3 7923 -8.258 -2.216 4.528 1.00 0.00 WT3 O ATOM 45863 H1 TIP3 7923 -4.397 -27.441 16.422 1.00 0.00 WT3 H ATOM 45864 H2 TIP3 7923 -5.209 -16.013 10.378 1.00 0.00 WT3 H ATOM 45865 OH2 TIP3 7924 0.977 0.440 -1.719 1.00 0.00 WT3 O ATOM 45866 H1 TIP3 7924 9.556 -14.281 21.563 1.00 0.00 WT3 H ATOM 45867 H2 TIP3 7924 7.220 14.792 -0.372 1.00 0.00 WT3 H ATOM 45868 OH2 TIP3 7926 -0.090 3.394 -0.342 1.00 0.00 WT3 O ATOM 45869 H1 TIP3 7926 -1.134 3.405 -3.623 1.00 0.00 WT3 H ATOM 45870 H2 TIP3 7926 4.241 6.786 8.717 1.00 0.00 WT3 H ATOM 45871 OH2 TIP3 7927 2.136 -1.419 -2.234 1.00 0.00 WT3 O ATOM 45872 H1 TIP3 7927 7.578 -7.438 -8.807 1.00 0.00 WT3 H ATOM 45873 H2 TIP3 7927 -14.019 5.844 4.886 1.00 0.00 WT3 H ATOM 45874 OH2 TIP3 7929 9.773 0.817 1.827 1.00 0.00 WT3 O ATOM 45875 H1 TIP3 7929 -1.823 0.345 6.851 1.00 0.00 WT3 H ATOM 45876 H2 TIP3 7929 -29.593 -19.019 18.047 1.00 0.00 WT3 H ATOM 45877 OH2 TIP3 7930 -8.604 -0.362 1.219 1.00 0.00 WT3 O ATOM 45878 H1 TIP3 7930 -9.460 -8.550 9.503 1.00 0.00 WT3 H ATOM 45879 H2 TIP3 7930 -1.199 -5.249 7.125 1.00 0.00 WT3 H ATOM 45880 OH2 TIP3 7931 -2.646 2.982 -0.342 1.00 0.00 WT3 O ATOM 45881 H1 TIP3 7931 -18.131 -11.749 -0.531 1.00 0.00 WT3 H ATOM 45882 H2 TIP3 7931 18.500 -8.709 19.802 1.00 0.00 WT3 H ATOM 45883 OH2 TIP3 7932 -4.194 1.336 1.623 1.00 0.00 WT3 O ATOM 45884 H1 TIP3 7932 6.423 25.034 -3.640 1.00 0.00 WT3 H ATOM 45885 H2 TIP3 7932 -2.588 -2.364 -0.953 1.00 0.00 WT3 H ATOM 45886 OH2 TIP3 7933 -6.295 1.993 3.906 1.00 0.00 WT3 O ATOM 45887 H1 TIP3 7933 -25.383 -8.222 -9.544 1.00 0.00 WT3 H ATOM 45888 H2 TIP3 7933 -20.162 -4.058 -23.706 1.00 0.00 WT3 H ATOM 45889 OH2 TIP3 7937 -4.004 -0.656 -3.387 1.00 0.00 WT3 O ATOM 45890 H1 TIP3 7937 7.503 -22.838 8.648 1.00 0.00 WT3 H ATOM 45891 H2 TIP3 7937 -6.109 16.239 0.756 1.00 0.00 WT3 H ATOM 45892 OH2 TIP3 7938 -5.418 6.215 -2.122 1.00 0.00 WT3 O ATOM 45893 H1 TIP3 7938 -16.969 -19.899 7.061 1.00 0.00 WT3 H ATOM 45894 H2 TIP3 7938 1.919 0.769 -12.109 1.00 0.00 WT3 H ATOM 45895 OH2 TIP3 7939 0.226 2.346 0.983 1.00 0.00 WT3 O ATOM 45896 H1 TIP3 7939 0.260 -13.987 -11.992 1.00 0.00 WT3 H ATOM 45897 H2 TIP3 7939 1.999 1.592 -11.139 1.00 0.00 WT3 H ATOM 45898 OH2 TIP3 7941 -2.263 6.456 -1.363 1.00 0.00 WT3 O ATOM 45899 H1 TIP3 7941 -9.993 10.551 -2.386 1.00 0.00 WT3 H ATOM 45900 H2 TIP3 7941 17.295 -2.945 12.886 1.00 0.00 WT3 H ATOM 45901 OH2 TIP3 7942 -4.176 -3.934 3.250 1.00 0.00 WT3 O ATOM 45902 H1 TIP3 7942 3.478 -0.375 4.281 1.00 0.00 WT3 H ATOM 45903 H2 TIP3 7942 2.441 14.837 5.079 1.00 0.00 WT3 H ATOM 45904 OH2 TIP3 7943 -1.494 -6.566 2.982 1.00 0.00 WT3 O ATOM 45905 H1 TIP3 7943 -19.841 18.764 -25.447 1.00 0.00 WT3 H ATOM 45906 H2 TIP3 7943 26.448 -3.398 -26.864 1.00 0.00 WT3 H ATOM 45907 OH2 TIP3 7945 2.168 2.606 2.688 1.00 0.00 WT3 O ATOM 45908 H1 TIP3 7945 33.256 -5.831 -19.868 1.00 0.00 WT3 H ATOM 45909 H2 TIP3 7945 -6.600 16.284 16.783 1.00 0.00 WT3 H ATOM 45910 OH2 TIP3 7947 -3.281 -1.185 -1.870 1.00 0.00 WT3 O ATOM 45911 H1 TIP3 7947 -7.045 2.823 -4.825 1.00 0.00 WT3 H ATOM 45912 H2 TIP3 7947 -8.206 6.173 -6.337 1.00 0.00 WT3 H ATOM 45913 OH2 TIP3 7948 -4.680 -5.378 0.410 1.00 0.00 WT3 O ATOM 45914 H1 TIP3 7948 2.699 -7.180 5.572 1.00 0.00 WT3 H ATOM 45915 H2 TIP3 7948 10.497 -13.682 5.736 1.00 0.00 WT3 H ATOM 45916 OH2 TIP3 7949 -2.320 -5.749 -5.558 1.00 0.00 WT3 O ATOM 45917 H1 TIP3 7949 9.610 12.823 -6.824 1.00 0.00 WT3 H ATOM 45918 H2 TIP3 7949 4.571 -12.299 -4.370 1.00 0.00 WT3 H ATOM 45919 OH2 TIP3 7950 4.399 -5.707 -4.230 1.00 0.00 WT3 O ATOM 45920 H1 TIP3 7950 5.013 25.531 -10.009 1.00 0.00 WT3 H ATOM 45921 H2 TIP3 7950 -3.877 -4.328 -15.535 1.00 0.00 WT3 H ATOM 45922 OH2 TIP3 7951 2.769 6.102 -0.532 1.00 0.00 WT3 O ATOM 45923 H1 TIP3 7951 4.501 5.812 -3.904 1.00 0.00 WT3 H ATOM 45924 H2 TIP3 7951 6.257 5.441 3.199 1.00 0.00 WT3 H ATOM 45925 OH2 TIP3 7952 -3.831 -2.905 -1.200 1.00 0.00 WT3 O ATOM 45926 H1 TIP3 7952 -0.407 1.557 -3.407 1.00 0.00 WT3 H ATOM 45927 H2 TIP3 7952 -5.642 -2.710 -8.733 1.00 0.00 WT3 H ATOM 45928 OH2 TIP3 7953 -1.619 2.744 -0.265 1.00 0.00 WT3 O ATOM 45929 H1 TIP3 7953 6.737 -9.970 16.204 1.00 0.00 WT3 H ATOM 45930 H2 TIP3 7953 -24.957 9.475 -3.633 1.00 0.00 WT3 H ATOM 45931 OH2 TIP3 7955 -5.819 1.366 -1.465 1.00 0.00 WT3 O ATOM 45932 H1 TIP3 7955 17.397 9.900 -13.329 1.00 0.00 WT3 H ATOM 45933 H2 TIP3 7955 26.025 2.219 -2.506 1.00 0.00 WT3 H ATOM 45934 OH2 TIP3 7957 2.023 -0.058 1.655 1.00 0.00 WT3 O ATOM 45935 H1 TIP3 7957 -4.927 -18.824 17.764 1.00 0.00 WT3 H ATOM 45936 H2 TIP3 7957 16.383 4.270 -11.341 1.00 0.00 WT3 H ATOM 45937 OH2 TIP3 7958 6.377 -4.741 -3.707 1.00 0.00 WT3 O ATOM 45938 H1 TIP3 7958 5.582 1.246 1.645 1.00 0.00 WT3 H ATOM 45939 H2 TIP3 7958 -19.900 23.363 -5.528 1.00 0.00 WT3 H ATOM 45940 OH2 TIP3 7960 -5.044 1.854 -0.882 1.00 0.00 WT3 O ATOM 45941 H1 TIP3 7960 -11.118 -5.918 -16.541 1.00 0.00 WT3 H ATOM 45942 H2 TIP3 7960 -7.946 -14.513 20.329 1.00 0.00 WT3 H ATOM 45943 OH2 TIP3 7961 1.057 -0.680 -0.686 1.00 0.00 WT3 O ATOM 45944 H1 TIP3 7961 0.780 12.529 4.003 1.00 0.00 WT3 H ATOM 45945 H2 TIP3 7961 0.098 -9.072 -3.940 1.00 0.00 WT3 H ATOM 45946 OH2 TIP3 7962 -6.306 1.256 6.862 1.00 0.00 WT3 O ATOM 45947 H1 TIP3 7962 2.471 11.330 -0.165 1.00 0.00 WT3 H ATOM 45948 H2 TIP3 7962 -6.355 1.687 5.956 1.00 0.00 WT3 H ATOM 45949 OH2 TIP3 7963 -4.028 -3.975 -3.184 1.00 0.00 WT3 O ATOM 45950 H1 TIP3 7963 4.682 -3.556 -2.031 1.00 0.00 WT3 H ATOM 45951 H2 TIP3 7963 19.886 -23.524 -3.258 1.00 0.00 WT3 H ATOM 45952 OH2 TIP3 7964 3.184 -5.539 10.927 1.00 0.00 WT3 O ATOM 45953 H1 TIP3 7964 2.129 -8.905 13.187 1.00 0.00 WT3 H ATOM 45954 H2 TIP3 7964 24.289 -4.483 0.019 1.00 0.00 WT3 H ATOM 45955 OH2 TIP3 7965 -3.662 -0.852 1.535 1.00 0.00 WT3 O ATOM 45956 H1 TIP3 7965 -1.007 0.874 6.040 1.00 0.00 WT3 H ATOM 45957 H2 TIP3 7965 -5.947 -5.761 -5.715 1.00 0.00 WT3 H ATOM 45958 OH2 TIP3 7966 5.700 5.511 0.419 1.00 0.00 WT3 O ATOM 45959 H1 TIP3 7966 18.822 -4.529 -0.122 1.00 0.00 WT3 H ATOM 45960 H2 TIP3 7966 -6.766 11.613 2.369 1.00 0.00 WT3 H ATOM 45961 OH2 TIP3 7967 -0.224 -0.403 1.183 1.00 0.00 WT3 O ATOM 45962 H1 TIP3 7967 -9.652 -5.833 -6.938 1.00 0.00 WT3 H ATOM 45963 H2 TIP3 7967 -7.801 -3.758 14.915 1.00 0.00 WT3 H ATOM 45964 OH2 TIP3 7969 3.313 3.595 -3.568 1.00 0.00 WT3 O ATOM 45965 H1 TIP3 7969 19.414 11.971 2.901 1.00 0.00 WT3 H ATOM 45966 H2 TIP3 7969 -7.981 16.372 -15.567 1.00 0.00 WT3 H ATOM 45967 OH2 TIP3 7970 3.075 3.189 -1.470 1.00 0.00 WT3 O ATOM 45968 H1 TIP3 7970 -14.057 -15.960 5.698 1.00 0.00 WT3 H ATOM 45969 H2 TIP3 7970 -7.587 -4.199 -27.048 1.00 0.00 WT3 H ATOM 45970 OH2 TIP3 7973 0.165 -0.764 2.600 1.00 0.00 WT3 O ATOM 45971 H1 TIP3 7973 10.481 -11.674 3.305 1.00 0.00 WT3 H ATOM 45972 H2 TIP3 7973 4.296 -0.507 1.058 1.00 0.00 WT3 H ATOM 45973 OH2 TIP3 7974 -5.732 0.102 2.260 1.00 0.00 WT3 O ATOM 45974 H1 TIP3 7974 -0.626 20.019 -12.332 1.00 0.00 WT3 H ATOM 45975 H2 TIP3 7974 -9.613 -11.008 14.641 1.00 0.00 WT3 H ATOM 45976 OH2 TIP3 7976 -0.966 0.115 -5.147 1.00 0.00 WT3 O ATOM 45977 H1 TIP3 7976 5.040 11.667 6.386 1.00 0.00 WT3 H ATOM 45978 H2 TIP3 7976 -15.813 -3.426 -0.292 1.00 0.00 WT3 H ATOM 45979 OH2 TIP3 7978 7.906 -2.832 -0.598 1.00 0.00 WT3 O ATOM 45980 H1 TIP3 7978 8.301 -9.363 -2.571 1.00 0.00 WT3 H ATOM 45981 H2 TIP3 7978 5.016 -4.640 7.124 1.00 0.00 WT3 H ATOM 45982 OH2 TIP3 7980 -2.557 -0.870 1.697 1.00 0.00 WT3 O ATOM 45983 H1 TIP3 7980 19.223 -7.148 -13.582 1.00 0.00 WT3 H ATOM 45984 H2 TIP3 7980 -3.404 1.995 8.398 1.00 0.00 WT3 H ATOM 45985 OH2 TIP3 7981 3.028 -1.799 -3.327 1.00 0.00 WT3 O ATOM 45986 H1 TIP3 7981 -5.465 -7.724 -6.573 1.00 0.00 WT3 H ATOM 45987 H2 TIP3 7981 5.709 -5.395 11.911 1.00 0.00 WT3 H ATOM 45988 OH2 TIP3 7982 1.260 -3.509 -1.549 1.00 0.00 WT3 O ATOM 45989 H1 TIP3 7982 15.348 -11.891 -5.272 1.00 0.00 WT3 H ATOM 45990 H2 TIP3 7982 1.486 -4.514 -0.813 1.00 0.00 WT3 H ATOM 45991 OH2 TIP3 7983 2.106 -5.573 -1.502 1.00 0.00 WT3 O ATOM 45992 H1 TIP3 7983 11.498 -27.824 -8.445 1.00 0.00 WT3 H ATOM 45993 H2 TIP3 7983 -16.754 -7.412 -9.180 1.00 0.00 WT3 H ATOM 45994 OH2 TIP3 7984 3.273 2.486 -1.883 1.00 0.00 WT3 O ATOM 45995 H1 TIP3 7984 -31.013 26.306 -1.901 1.00 0.00 WT3 H ATOM 45996 H2 TIP3 7984 14.470 9.591 -46.476 1.00 0.00 WT3 H ATOM 45997 OH2 TIP3 7985 -1.765 5.136 3.561 1.00 0.00 WT3 O ATOM 45998 H1 TIP3 7985 -2.668 1.350 10.392 1.00 0.00 WT3 H ATOM 45999 H2 TIP3 7985 1.681 2.705 1.886 1.00 0.00 WT3 H ATOM 46000 OH2 TIP3 7986 5.610 4.286 3.818 1.00 0.00 WT3 O ATOM 46001 H1 TIP3 7986 -21.888 -3.260 -8.707 1.00 0.00 WT3 H ATOM 46002 H2 TIP3 7986 2.401 5.294 5.231 1.00 0.00 WT3 H ATOM 46003 OH2 TIP3 7987 -4.884 2.963 4.065 1.00 0.00 WT3 O ATOM 46004 H1 TIP3 7987 9.481 3.836 -8.247 1.00 0.00 WT3 H ATOM 46005 H2 TIP3 7987 15.129 -25.490 3.779 1.00 0.00 WT3 H ATOM 46006 OH2 TIP3 7988 -5.498 3.930 1.705 1.00 0.00 WT3 O ATOM 46007 H1 TIP3 7988 1.135 -11.878 -2.273 1.00 0.00 WT3 H ATOM 46008 H2 TIP3 7988 -1.080 -18.393 3.435 1.00 0.00 WT3 H ATOM 46009 OH2 TIP3 7989 -0.398 0.079 5.264 1.00 0.00 WT3 O ATOM 46010 H1 TIP3 7989 -1.415 17.538 18.632 1.00 0.00 WT3 H ATOM 46011 H2 TIP3 7989 15.167 7.260 -15.140 1.00 0.00 WT3 H ATOM 46012 OH2 TIP3 7990 -2.683 -2.881 5.200 1.00 0.00 WT3 O ATOM 46013 H1 TIP3 7990 -1.072 -9.031 10.663 1.00 0.00 WT3 H ATOM 46014 H2 TIP3 7990 -3.049 2.229 2.314 1.00 0.00 WT3 H ATOM 46015 OH2 TIP3 7991 2.323 -6.312 8.807 1.00 0.00 WT3 O ATOM 46016 H1 TIP3 7991 2.364 -10.124 12.192 1.00 0.00 WT3 H ATOM 46017 H2 TIP3 7991 3.237 5.562 -3.147 1.00 0.00 WT3 H ATOM 46018 OH2 TIP3 7992 -2.544 0.757 1.085 1.00 0.00 WT3 O ATOM 46019 H1 TIP3 7992 -16.076 31.858 3.523 1.00 0.00 WT3 H ATOM 46020 H2 TIP3 7992 6.539 5.185 27.107 1.00 0.00 WT3 H ATOM 46021 OH2 TIP3 7993 1.646 -7.951 4.190 1.00 0.00 WT3 O ATOM 46022 H1 TIP3 7993 0.591 -7.117 6.572 1.00 0.00 WT3 H ATOM 46023 H2 TIP3 7993 3.075 -9.797 2.872 1.00 0.00 WT3 H ATOM 46024 OH2 TIP3 7995 -2.472 2.823 1.869 1.00 0.00 WT3 O ATOM 46025 H1 TIP3 7995 -1.538 13.422 -13.220 1.00 0.00 WT3 H ATOM 46026 H2 TIP3 7995 -5.980 -6.571 13.626 1.00 0.00 WT3 H ATOM 46027 OH2 TIP3 7996 -1.167 -6.470 -8.171 1.00 0.00 WT3 O ATOM 46028 H1 TIP3 7996 6.790 -0.390 8.111 1.00 0.00 WT3 H ATOM 46029 H2 TIP3 7996 -1.125 -5.902 -2.496 1.00 0.00 WT3 H ATOM 46030 OH2 TIP3 7997 -2.738 2.009 5.574 1.00 0.00 WT3 O ATOM 46031 H1 TIP3 7997 -10.604 1.462 -14.927 1.00 0.00 WT3 H ATOM 46032 H2 TIP3 7997 14.182 7.190 18.506 1.00 0.00 WT3 H ATOM 46033 OH2 TIP3 7999 -1.854 -4.834 1.375 1.00 0.00 WT3 O ATOM 46034 H1 TIP3 7999 2.731 -0.848 -10.962 1.00 0.00 WT3 H ATOM 46035 H2 TIP3 7999 -3.252 -5.802 4.665 1.00 0.00 WT3 H ATOM 46036 OH2 TIP3 8001 0.008 -6.580 0.569 1.00 0.00 WT3 O ATOM 46037 H1 TIP3 8001 0.813 -8.475 -20.863 1.00 0.00 WT3 H ATOM 46038 H2 TIP3 8001 5.359 -0.974 -1.732 1.00 0.00 WT3 H ATOM 46039 OH2 TIP3 8002 -4.445 -2.666 2.143 1.00 0.00 WT3 O ATOM 46040 H1 TIP3 8002 -3.350 -4.911 3.168 1.00 0.00 WT3 H ATOM 46041 H2 TIP3 8002 -0.553 -7.012 4.425 1.00 0.00 WT3 H ATOM 46042 OH2 TIP3 8003 -0.179 1.472 1.346 1.00 0.00 WT3 O ATOM 46043 H1 TIP3 8003 6.044 -14.363 -0.280 1.00 0.00 WT3 H ATOM 46044 H2 TIP3 8003 6.346 -13.066 -7.703 1.00 0.00 WT3 H ATOM 46045 OH2 TIP3 8004 1.381 2.691 -1.569 1.00 0.00 WT3 O ATOM 46046 H1 TIP3 8004 -12.048 -10.772 6.982 1.00 0.00 WT3 H ATOM 46047 H2 TIP3 8004 5.345 11.950 8.022 1.00 0.00 WT3 H ATOM 46048 OH2 TIP3 8005 -5.581 0.144 -3.592 1.00 0.00 WT3 O ATOM 46049 H1 TIP3 8005 -21.811 15.299 3.252 1.00 0.00 WT3 H ATOM 46050 H2 TIP3 8005 -8.578 4.597 -1.939 1.00 0.00 WT3 H ATOM 46051 OH2 TIP3 8006 2.535 3.481 9.504 1.00 0.00 WT3 O ATOM 46052 H1 TIP3 8006 11.898 -2.008 -3.881 1.00 0.00 WT3 H ATOM 46053 H2 TIP3 8006 -9.067 -5.881 6.827 1.00 0.00 WT3 H ATOM 46054 OH2 TIP3 8007 0.064 1.492 0.656 1.00 0.00 WT3 O ATOM 46055 H1 TIP3 8007 -13.886 11.999 -6.857 1.00 0.00 WT3 H ATOM 46056 H2 TIP3 8007 4.649 -5.539 -7.194 1.00 0.00 WT3 H ATOM 46057 OH2 TIP3 8008 -0.616 -1.804 -5.688 1.00 0.00 WT3 O ATOM 46058 H1 TIP3 8008 -7.840 6.931 2.769 1.00 0.00 WT3 H ATOM 46059 H2 TIP3 8008 -11.920 1.658 -14.999 1.00 0.00 WT3 H ATOM 46060 OH2 TIP3 8009 -1.178 -1.714 -2.858 1.00 0.00 WT3 O ATOM 46061 H1 TIP3 8009 -3.990 -5.385 5.073 1.00 0.00 WT3 H ATOM 46062 H2 TIP3 8009 0.734 -2.580 -7.834 1.00 0.00 WT3 H ATOM 46063 OH2 TIP3 8011 -1.106 -3.659 1.990 1.00 0.00 WT3 O ATOM 46064 H1 TIP3 8011 14.256 11.442 0.726 1.00 0.00 WT3 H ATOM 46065 H2 TIP3 8011 -12.820 -3.313 20.439 1.00 0.00 WT3 H ATOM 46066 OH2 TIP3 8013 -3.346 2.091 0.839 1.00 0.00 WT3 O ATOM 46067 H1 TIP3 8013 -2.306 -2.204 3.641 1.00 0.00 WT3 H ATOM 46068 H2 TIP3 8013 -14.844 24.019 -19.424 1.00 0.00 WT3 H ATOM 46069 OH2 TIP3 8014 -6.984 -4.316 -3.859 1.00 0.00 WT3 O ATOM 46070 H1 TIP3 8014 -6.979 -3.407 -0.349 1.00 0.00 WT3 H ATOM 46071 H2 TIP3 8014 -7.619 -4.930 -10.565 1.00 0.00 WT3 H ATOM 46072 OH2 TIP3 8016 -2.713 -7.214 -0.135 1.00 0.00 WT3 O ATOM 46073 H1 TIP3 8016 -16.679 -7.278 -2.688 1.00 0.00 WT3 H ATOM 46074 H2 TIP3 8016 0.965 5.392 -4.227 1.00 0.00 WT3 H ATOM 46075 OH2 TIP3 8017 6.962 -3.762 10.788 1.00 0.00 WT3 O ATOM 46076 H1 TIP3 8017 -2.517 -9.066 -0.365 1.00 0.00 WT3 H ATOM 46077 H2 TIP3 8017 18.962 1.755 -2.768 1.00 0.00 WT3 H ATOM 46078 OH2 TIP3 8018 6.874 0.518 -7.047 1.00 0.00 WT3 O ATOM 46079 H1 TIP3 8018 16.287 -13.104 10.439 1.00 0.00 WT3 H ATOM 46080 H2 TIP3 8018 1.495 -8.459 4.458 1.00 0.00 WT3 H ATOM 46081 OH2 TIP3 8019 -0.477 -0.316 4.358 1.00 0.00 WT3 O ATOM 46082 H1 TIP3 8019 -0.869 17.303 15.175 1.00 0.00 WT3 H ATOM 46083 H2 TIP3 8019 -16.377 -0.559 -2.684 1.00 0.00 WT3 H ATOM 46084 OH2 TIP3 8022 -1.970 3.377 -2.015 1.00 0.00 WT3 O ATOM 46085 H1 TIP3 8022 -4.886 11.296 16.898 1.00 0.00 WT3 H ATOM 46086 H2 TIP3 8022 -24.868 4.409 -0.312 1.00 0.00 WT3 H ATOM 46087 OH2 TIP3 8023 -0.595 0.811 -0.546 1.00 0.00 WT3 O ATOM 46088 H1 TIP3 8023 2.115 5.903 12.469 1.00 0.00 WT3 H ATOM 46089 H2 TIP3 8023 -4.394 9.200 5.390 1.00 0.00 WT3 H ATOM 46090 OH2 TIP3 8024 0.473 3.170 -2.711 1.00 0.00 WT3 O ATOM 46091 H1 TIP3 8024 -2.890 -23.270 -6.514 1.00 0.00 WT3 H ATOM 46092 H2 TIP3 8024 2.930 -1.592 -1.533 1.00 0.00 WT3 H ATOM 46093 OH2 TIP3 8025 -2.541 -0.532 1.818 1.00 0.00 WT3 O ATOM 46094 H1 TIP3 8025 -6.462 1.687 4.643 1.00 0.00 WT3 H ATOM 46095 H2 TIP3 8025 -15.633 14.860 -6.312 1.00 0.00 WT3 H ATOM 46096 OH2 TIP3 8026 -3.017 -3.317 -3.238 1.00 0.00 WT3 O ATOM 46097 H1 TIP3 8026 18.156 11.993 4.039 1.00 0.00 WT3 H ATOM 46098 H2 TIP3 8026 10.972 -3.554 -15.658 1.00 0.00 WT3 H ATOM 46099 OH2 TIP3 8027 -0.155 2.427 -1.459 1.00 0.00 WT3 O ATOM 46100 H1 TIP3 8027 11.232 9.483 -24.404 1.00 0.00 WT3 H ATOM 46101 H2 TIP3 8027 4.256 6.338 5.756 1.00 0.00 WT3 H ATOM 46102 OH2 TIP3 8028 1.409 -10.839 -0.887 1.00 0.00 WT3 O ATOM 46103 H1 TIP3 8028 1.516 -8.588 -4.224 1.00 0.00 WT3 H ATOM 46104 H2 TIP3 8028 0.398 -18.400 -5.116 1.00 0.00 WT3 H ATOM 46105 OH2 TIP3 8029 -5.338 -4.050 -1.423 1.00 0.00 WT3 O ATOM 46106 H1 TIP3 8029 -3.507 -4.963 -8.664 1.00 0.00 WT3 H ATOM 46107 H2 TIP3 8029 -10.077 -4.307 2.205 1.00 0.00 WT3 H ATOM 46108 OH2 TIP3 8030 -3.978 1.802 2.629 1.00 0.00 WT3 O ATOM 46109 H1 TIP3 8030 -14.328 -0.386 -1.942 1.00 0.00 WT3 H ATOM 46110 H2 TIP3 8030 -3.185 -29.944 -0.479 1.00 0.00 WT3 H ATOM 46111 OH2 TIP3 8032 -5.391 -4.796 1.759 1.00 0.00 WT3 O ATOM 46112 H1 TIP3 8032 -15.757 -7.458 -9.261 1.00 0.00 WT3 H ATOM 46113 H2 TIP3 8032 -3.264 -5.341 6.245 1.00 0.00 WT3 H ATOM 46114 OH2 TIP3 8034 -0.854 -3.345 -5.107 1.00 0.00 WT3 O ATOM 46115 H1 TIP3 8034 8.260 1.052 -3.407 1.00 0.00 WT3 H ATOM 46116 H2 TIP3 8034 2.268 -2.095 -7.035 1.00 0.00 WT3 H ATOM 46117 OH2 TIP3 8035 -0.546 -1.726 -1.024 1.00 0.00 WT3 O ATOM 46118 H1 TIP3 8035 5.302 6.203 12.143 1.00 0.00 WT3 H ATOM 46119 H2 TIP3 8035 -8.429 -11.062 4.028 1.00 0.00 WT3 H ATOM 46120 OH2 TIP3 8036 -2.408 -2.541 1.763 1.00 0.00 WT3 O ATOM 46121 H1 TIP3 8036 -23.384 -19.669 4.553 1.00 0.00 WT3 H ATOM 46122 H2 TIP3 8036 15.450 3.777 -10.516 1.00 0.00 WT3 H ATOM 46123 OH2 TIP3 8037 -1.005 4.320 8.093 1.00 0.00 WT3 O ATOM 46124 H1 TIP3 8037 -0.822 4.450 6.142 1.00 0.00 WT3 H ATOM 46125 H2 TIP3 8037 -2.400 2.909 8.288 1.00 0.00 WT3 H ATOM 46126 OH2 TIP3 8038 -7.241 1.660 -11.716 1.00 0.00 WT3 O ATOM 46127 H1 TIP3 8038 -4.628 9.631 -19.415 1.00 0.00 WT3 H ATOM 46128 H2 TIP3 8038 -5.150 0.434 -5.110 1.00 0.00 WT3 H ATOM 46129 OH2 TIP3 8039 -1.873 -1.706 -3.081 1.00 0.00 WT3 O ATOM 46130 H1 TIP3 8039 6.257 -3.657 -7.802 1.00 0.00 WT3 H ATOM 46131 H2 TIP3 8039 -4.890 -7.323 6.031 1.00 0.00 WT3 H ATOM 46132 OH2 TIP3 8040 -1.459 -5.205 0.737 1.00 0.00 WT3 O ATOM 46133 H1 TIP3 8040 0.279 -4.476 0.718 1.00 0.00 WT3 H ATOM 46134 H2 TIP3 8040 -10.979 -10.294 -3.230 1.00 0.00 WT3 H ATOM 46135 OH2 TIP3 8041 5.221 -1.504 -5.340 1.00 0.00 WT3 O ATOM 46136 H1 TIP3 8041 7.418 -14.614 -1.709 1.00 0.00 WT3 H ATOM 46137 H2 TIP3 8041 17.705 4.223 6.843 1.00 0.00 WT3 H ATOM 46138 OH2 TIP3 8042 -0.376 -0.417 -6.297 1.00 0.00 WT3 O ATOM 46139 H1 TIP3 8042 11.737 -2.655 15.246 1.00 0.00 WT3 H ATOM 46140 H2 TIP3 8042 7.581 0.739 3.079 1.00 0.00 WT3 H ATOM 46141 OH2 TIP3 8043 -4.471 4.602 5.404 1.00 0.00 WT3 O ATOM 46142 H1 TIP3 8043 -5.154 16.347 -2.415 1.00 0.00 WT3 H ATOM 46143 H2 TIP3 8043 -9.368 8.852 1.716 1.00 0.00 WT3 H ATOM 46144 OH2 TIP3 8045 -3.804 -0.082 1.937 1.00 0.00 WT3 O ATOM 46145 H1 TIP3 8045 15.762 -19.397 -7.467 1.00 0.00 WT3 H ATOM 46146 H2 TIP3 8045 15.529 8.705 -7.503 1.00 0.00 WT3 H ATOM 46147 OH2 TIP3 8046 4.137 -0.675 -3.148 1.00 0.00 WT3 O ATOM 46148 H1 TIP3 8046 -0.986 3.787 -7.677 1.00 0.00 WT3 H ATOM 46149 H2 TIP3 8046 5.080 -6.171 -7.288 1.00 0.00 WT3 H ATOM 46150 OH2 TIP3 8047 -1.860 -1.734 -5.927 1.00 0.00 WT3 O ATOM 46151 H1 TIP3 8047 -4.922 -0.848 -1.446 1.00 0.00 WT3 H ATOM 46152 H2 TIP3 8047 -3.435 -0.066 -11.718 1.00 0.00 WT3 H ATOM 46153 OH2 TIP3 8049 -1.122 2.031 2.492 1.00 0.00 WT3 O ATOM 46154 H1 TIP3 8049 8.904 -3.901 -7.635 1.00 0.00 WT3 H ATOM 46155 H2 TIP3 8049 -4.594 4.059 8.627 1.00 0.00 WT3 H ATOM 46156 OH2 TIP3 8051 -0.538 -3.865 2.635 1.00 0.00 WT3 O ATOM 46157 H1 TIP3 8051 -0.920 17.591 -15.840 1.00 0.00 WT3 H ATOM 46158 H2 TIP3 8051 1.787 4.805 -5.638 1.00 0.00 WT3 H ATOM 46159 OH2 TIP3 8052 -1.428 3.361 -5.344 1.00 0.00 WT3 O ATOM 46160 H1 TIP3 8052 9.986 -8.536 -1.366 1.00 0.00 WT3 H ATOM 46161 H2 TIP3 8052 12.114 -13.373 -2.899 1.00 0.00 WT3 H ATOM 46162 OH2 TIP3 8053 3.318 -0.400 0.166 1.00 0.00 WT3 O ATOM 46163 H1 TIP3 8053 -0.068 22.443 -18.857 1.00 0.00 WT3 H ATOM 46164 H2 TIP3 8053 -13.174 10.180 -5.774 1.00 0.00 WT3 H ATOM 46165 OH2 TIP3 8054 0.706 2.548 7.021 1.00 0.00 WT3 O ATOM 46166 H1 TIP3 8054 0.267 21.426 -2.257 1.00 0.00 WT3 H ATOM 46167 H2 TIP3 8054 9.564 0.716 11.109 1.00 0.00 WT3 H ATOM 46168 OH2 TIP3 8055 -6.761 -2.272 2.790 1.00 0.00 WT3 O ATOM 46169 H1 TIP3 8055 -3.344 -2.969 -5.996 1.00 0.00 WT3 H ATOM 46170 H2 TIP3 8055 -2.821 -4.450 13.905 1.00 0.00 WT3 H ATOM 46171 OH2 TIP3 8056 -9.784 -4.116 -2.179 1.00 0.00 WT3 O ATOM 46172 H1 TIP3 8056 -3.775 2.084 4.046 1.00 0.00 WT3 H ATOM 46173 H2 TIP3 8056 2.845 16.259 9.075 1.00 0.00 WT3 H ATOM 46174 OH2 TIP3 8057 6.459 -4.261 -0.757 1.00 0.00 WT3 O ATOM 46175 H1 TIP3 8057 -5.296 -4.296 6.521 1.00 0.00 WT3 H ATOM 46176 H2 TIP3 8057 2.718 -8.322 12.607 1.00 0.00 WT3 H ATOM 46177 OH2 TIP3 8058 1.560 -2.118 4.403 1.00 0.00 WT3 O ATOM 46178 H1 TIP3 8058 -5.444 -25.993 10.396 1.00 0.00 WT3 H ATOM 46179 H2 TIP3 8058 12.082 14.240 22.388 1.00 0.00 WT3 H ATOM 46180 OH2 TIP3 8059 2.528 -5.524 -8.196 1.00 0.00 WT3 O ATOM 46181 H1 TIP3 8059 7.103 9.454 3.597 1.00 0.00 WT3 H ATOM 46182 H2 TIP3 8059 -22.161 13.819 2.252 1.00 0.00 WT3 H ATOM 46183 OH2 TIP3 8060 -2.730 -5.010 -0.811 1.00 0.00 WT3 O ATOM 46184 H1 TIP3 8060 0.396 -10.191 5.182 1.00 0.00 WT3 H ATOM 46185 H2 TIP3 8060 3.445 -5.228 -7.321 1.00 0.00 WT3 H ATOM 46186 OH2 TIP3 8061 0.283 3.121 -3.512 1.00 0.00 WT3 O ATOM 46187 H1 TIP3 8061 5.946 6.739 -19.732 1.00 0.00 WT3 H ATOM 46188 H2 TIP3 8061 -32.412 5.874 -4.129 1.00 0.00 WT3 H ATOM 46189 OH2 TIP3 8062 1.897 1.317 0.375 1.00 0.00 WT3 O ATOM 46190 H1 TIP3 8062 -1.502 6.012 5.734 1.00 0.00 WT3 H ATOM 46191 H2 TIP3 8062 6.828 -7.822 8.205 1.00 0.00 WT3 H ATOM 46192 OH2 TIP3 8063 11.105 3.838 0.592 1.00 0.00 WT3 O ATOM 46193 H1 TIP3 8063 -1.901 -0.705 -9.181 1.00 0.00 WT3 H ATOM 46194 H2 TIP3 8063 -8.208 -19.820 13.997 1.00 0.00 WT3 H ATOM 46195 OH2 TIP3 8064 10.296 -7.332 2.474 1.00 0.00 WT3 O ATOM 46196 H1 TIP3 8064 16.199 5.530 5.618 1.00 0.00 WT3 H ATOM 46197 H2 TIP3 8064 10.996 -4.831 6.991 1.00 0.00 WT3 H ATOM 46198 OH2 TIP3 8065 -1.814 -4.652 3.871 1.00 0.00 WT3 O ATOM 46199 H1 TIP3 8065 -7.662 9.034 5.003 1.00 0.00 WT3 H ATOM 46200 H2 TIP3 8065 -13.963 -5.029 -11.816 1.00 0.00 WT3 H ATOM 46201 OH2 TIP3 8066 -0.705 5.830 -0.670 1.00 0.00 WT3 O ATOM 46202 H1 TIP3 8066 9.207 -9.588 -13.975 1.00 0.00 WT3 H ATOM 46203 H2 TIP3 8066 7.296 7.162 -8.494 1.00 0.00 WT3 H ATOM 46204 OH2 TIP3 8067 -3.577 -2.879 -7.060 1.00 0.00 WT3 O ATOM 46205 H1 TIP3 8067 -14.550 5.101 -21.024 1.00 0.00 WT3 H ATOM 46206 H2 TIP3 8067 -22.187 -16.150 3.824 1.00 0.00 WT3 H ATOM 46207 OH2 TIP3 8068 -6.872 1.667 -2.014 1.00 0.00 WT3 O ATOM 46208 H1 TIP3 8068 11.283 2.630 1.735 1.00 0.00 WT3 H ATOM 46209 H2 TIP3 8068 -5.002 1.015 -3.256 1.00 0.00 WT3 H ATOM 46210 OH2 TIP3 8069 0.071 6.597 1.995 1.00 0.00 WT3 O ATOM 46211 H1 TIP3 8069 23.548 -14.049 1.872 1.00 0.00 WT3 H ATOM 46212 H2 TIP3 8069 -14.416 -11.629 -2.399 1.00 0.00 WT3 H ATOM 46213 OH2 TIP3 8070 8.852 11.579 3.542 1.00 0.00 WT3 O ATOM 46214 H1 TIP3 8070 7.127 14.847 12.472 1.00 0.00 WT3 H ATOM 46215 H2 TIP3 8070 0.187 4.205 5.705 1.00 0.00 WT3 H ATOM 46216 OH2 TIP3 8071 -0.025 -1.573 0.421 1.00 0.00 WT3 O ATOM 46217 H1 TIP3 8071 1.973 -5.666 -3.501 1.00 0.00 WT3 H ATOM 46218 H2 TIP3 8071 -14.816 4.609 -11.836 1.00 0.00 WT3 H ATOM 46219 OH2 TIP3 8073 0.204 -1.235 -0.695 1.00 0.00 WT3 O ATOM 46220 H1 TIP3 8073 6.888 -12.783 27.121 1.00 0.00 WT3 H ATOM 46221 H2 TIP3 8073 10.366 -7.500 19.259 1.00 0.00 WT3 H ATOM 46222 OH2 TIP3 8074 5.261 -3.857 -3.561 1.00 0.00 WT3 O ATOM 46223 H1 TIP3 8074 8.818 6.236 -5.162 1.00 0.00 WT3 H ATOM 46224 H2 TIP3 8074 -4.575 2.464 0.748 1.00 0.00 WT3 H ATOM 46225 OH2 TIP3 8075 -2.503 -2.675 -2.815 1.00 0.00 WT3 O ATOM 46226 H1 TIP3 8075 -3.621 -4.128 -0.861 1.00 0.00 WT3 H ATOM 46227 H2 TIP3 8075 -11.280 -13.410 -4.569 1.00 0.00 WT3 H ATOM 46228 OH2 TIP3 8076 -5.255 0.938 -2.942 1.00 0.00 WT3 O ATOM 46229 H1 TIP3 8076 -25.552 -22.518 -4.256 1.00 0.00 WT3 H ATOM 46230 H2 TIP3 8076 -10.402 14.218 -7.867 1.00 0.00 WT3 H ATOM 46231 OH2 TIP3 8077 -4.572 0.157 3.701 1.00 0.00 WT3 O ATOM 46232 H1 TIP3 8077 -9.135 -8.360 3.083 1.00 0.00 WT3 H ATOM 46233 H2 TIP3 8077 -0.999 -3.492 -14.618 1.00 0.00 WT3 H ATOM 46234 OH2 TIP3 8079 4.596 -3.445 1.123 1.00 0.00 WT3 O ATOM 46235 H1 TIP3 8079 13.666 -1.350 -4.049 1.00 0.00 WT3 H ATOM 46236 H2 TIP3 8079 17.003 -1.263 -8.330 1.00 0.00 WT3 H ATOM 46237 OH2 TIP3 8080 -7.250 2.650 6.092 1.00 0.00 WT3 O ATOM 46238 H1 TIP3 8080 -13.838 -13.369 -5.102 1.00 0.00 WT3 H ATOM 46239 H2 TIP3 8080 3.201 26.053 22.279 1.00 0.00 WT3 H ATOM 46240 OH2 TIP3 8081 -5.204 -5.131 1.346 1.00 0.00 WT3 O ATOM 46241 H1 TIP3 8081 -12.931 -3.733 5.482 1.00 0.00 WT3 H ATOM 46242 H2 TIP3 8081 3.267 -2.926 7.090 1.00 0.00 WT3 H ATOM 46243 OH2 TIP3 8082 2.942 -3.064 6.799 1.00 0.00 WT3 O ATOM 46244 H1 TIP3 8082 11.821 -6.228 -0.179 1.00 0.00 WT3 H ATOM 46245 H2 TIP3 8082 6.813 -9.982 3.825 1.00 0.00 WT3 H ATOM 46246 OH2 TIP3 8083 -0.207 0.349 0.293 1.00 0.00 WT3 O ATOM 46247 H1 TIP3 8083 6.318 -1.471 4.509 1.00 0.00 WT3 H ATOM 46248 H2 TIP3 8083 -2.281 10.053 -13.832 1.00 0.00 WT3 H ATOM 46249 OH2 TIP3 8084 5.101 -1.573 7.503 1.00 0.00 WT3 O ATOM 46250 H1 TIP3 8084 3.300 8.619 13.681 1.00 0.00 WT3 H ATOM 46251 H2 TIP3 8084 2.305 -9.935 5.584 1.00 0.00 WT3 H ATOM 46252 OH2 TIP3 8085 0.215 4.898 0.753 1.00 0.00 WT3 O ATOM 46253 H1 TIP3 8085 14.160 -13.308 0.240 1.00 0.00 WT3 H ATOM 46254 H2 TIP3 8085 10.366 -10.077 -0.226 1.00 0.00 WT3 H ATOM 46255 OH2 TIP3 8086 -1.787 -3.502 3.073 1.00 0.00 WT3 O ATOM 46256 H1 TIP3 8086 23.456 18.172 -3.110 1.00 0.00 WT3 H ATOM 46257 H2 TIP3 8086 27.981 13.032 -9.130 1.00 0.00 WT3 H ATOM 46258 OH2 TIP3 8087 6.016 4.970 1.552 1.00 0.00 WT3 O ATOM 46259 H1 TIP3 8087 6.608 1.508 -8.530 1.00 0.00 WT3 H ATOM 46260 H2 TIP3 8087 6.422 -1.269 -14.976 1.00 0.00 WT3 H ATOM 46261 OH2 TIP3 8088 -3.007 1.817 0.404 1.00 0.00 WT3 O ATOM 46262 H1 TIP3 8088 -31.448 5.478 -18.923 1.00 0.00 WT3 H ATOM 46263 H2 TIP3 8088 7.117 -9.987 8.391 1.00 0.00 WT3 H ATOM 46264 OH2 TIP3 8089 4.599 -2.148 3.576 1.00 0.00 WT3 O ATOM 46265 H1 TIP3 8089 16.517 8.364 -1.324 1.00 0.00 WT3 H ATOM 46266 H2 TIP3 8089 -5.054 -17.482 -24.342 1.00 0.00 WT3 H ATOM 46267 OH2 TIP3 8090 3.112 3.861 4.171 1.00 0.00 WT3 O ATOM 46268 H1 TIP3 8090 6.498 -12.042 8.343 1.00 0.00 WT3 H ATOM 46269 H2 TIP3 8090 -3.851 15.218 15.206 1.00 0.00 WT3 H ATOM 46270 OH2 TIP3 8091 -2.132 -5.261 -4.300 1.00 0.00 WT3 O ATOM 46271 H1 TIP3 8091 21.950 -13.967 -2.844 1.00 0.00 WT3 H ATOM 46272 H2 TIP3 8091 2.670 -5.995 -3.976 1.00 0.00 WT3 H ATOM 46273 OH2 TIP3 8092 3.836 -4.829 0.356 1.00 0.00 WT3 O ATOM 46274 H1 TIP3 8092 4.076 4.099 -1.899 1.00 0.00 WT3 H ATOM 46275 H2 TIP3 8092 -2.656 -7.616 -1.674 1.00 0.00 WT3 H ATOM 46276 OH2 TIP3 8093 -0.765 3.903 0.564 1.00 0.00 WT3 O ATOM 46277 H1 TIP3 8093 3.945 19.074 2.695 1.00 0.00 WT3 H ATOM 46278 H2 TIP3 8093 -22.329 8.133 20.567 1.00 0.00 WT3 H ATOM 46279 OH2 TIP3 8094 2.497 -4.413 6.655 1.00 0.00 WT3 O ATOM 46280 H1 TIP3 8094 8.829 2.950 22.127 1.00 0.00 WT3 H ATOM 46281 H2 TIP3 8094 1.121 -3.645 6.351 1.00 0.00 WT3 H ATOM 46282 OH2 TIP3 8095 -3.471 3.528 5.349 1.00 0.00 WT3 O ATOM 46283 H1 TIP3 8095 -4.749 6.367 5.706 1.00 0.00 WT3 H ATOM 46284 H2 TIP3 8095 4.869 -17.846 -15.808 1.00 0.00 WT3 H ATOM 46285 OH2 TIP3 8096 -5.287 2.834 -2.872 1.00 0.00 WT3 O ATOM 46286 H1 TIP3 8096 -7.713 -27.307 -6.653 1.00 0.00 WT3 H ATOM 46287 H2 TIP3 8096 5.004 17.632 0.506 1.00 0.00 WT3 H ATOM 46288 OH2 TIP3 8097 6.715 1.055 -2.566 1.00 0.00 WT3 O ATOM 46289 H1 TIP3 8097 11.306 8.911 0.532 1.00 0.00 WT3 H ATOM 46290 H2 TIP3 8097 9.072 -2.353 -16.324 1.00 0.00 WT3 H ATOM 46291 OH2 TIP3 8099 3.645 -2.790 0.135 1.00 0.00 WT3 O ATOM 46292 H1 TIP3 8099 3.679 -12.581 5.590 1.00 0.00 WT3 H ATOM 46293 H2 TIP3 8099 9.061 -9.292 -2.196 1.00 0.00 WT3 H ATOM 46294 OH2 TIP3 8100 -3.719 -2.012 6.244 1.00 0.00 WT3 O ATOM 46295 H1 TIP3 8100 13.505 -14.026 5.107 1.00 0.00 WT3 H ATOM 46296 H2 TIP3 8100 -1.561 -8.483 2.567 1.00 0.00 WT3 H ATOM 46297 OH2 TIP3 8101 -1.519 2.126 1.679 1.00 0.00 WT3 O ATOM 46298 H1 TIP3 8101 17.306 -4.730 -28.295 1.00 0.00 WT3 H ATOM 46299 H2 TIP3 8101 -2.834 10.173 6.573 1.00 0.00 WT3 H ATOM 46300 OH2 TIP3 8102 1.615 4.987 5.057 1.00 0.00 WT3 O ATOM 46301 H1 TIP3 8102 9.992 -4.264 7.902 1.00 0.00 WT3 H ATOM 46302 H2 TIP3 8102 -10.171 -5.597 33.112 1.00 0.00 WT3 H ATOM 46303 OH2 TIP3 8103 2.873 5.170 -7.634 1.00 0.00 WT3 O ATOM 46304 H1 TIP3 8103 17.159 6.285 -7.912 1.00 0.00 WT3 H ATOM 46305 H2 TIP3 8103 12.291 5.450 -8.279 1.00 0.00 WT3 H ATOM 46306 OH2 TIP3 8104 4.968 3.071 2.881 1.00 0.00 WT3 O ATOM 46307 H1 TIP3 8104 9.899 10.746 1.185 1.00 0.00 WT3 H ATOM 46308 H2 TIP3 8104 11.807 0.380 9.917 1.00 0.00 WT3 H ATOM 46309 OH2 TIP3 8105 -0.080 -4.176 2.763 1.00 0.00 WT3 O ATOM 46310 H1 TIP3 8105 -13.901 15.419 3.605 1.00 0.00 WT3 H ATOM 46311 H2 TIP3 8105 12.912 29.895 -23.476 1.00 0.00 WT3 H ATOM 46312 OH2 TIP3 8106 1.177 -1.009 5.349 1.00 0.00 WT3 O ATOM 46313 H1 TIP3 8106 -2.873 -0.787 11.256 1.00 0.00 WT3 H ATOM 46314 H2 TIP3 8106 3.728 -2.436 6.633 1.00 0.00 WT3 H ATOM 46315 OH2 TIP3 8107 3.687 0.466 4.939 1.00 0.00 WT3 O ATOM 46316 H1 TIP3 8107 7.521 14.323 0.860 1.00 0.00 WT3 H ATOM 46317 H2 TIP3 8107 22.521 -18.482 0.768 1.00 0.00 WT3 H ATOM 46318 OH2 TIP3 8108 -3.758 -0.990 -3.941 1.00 0.00 WT3 O ATOM 46319 H1 TIP3 8108 10.117 4.044 7.183 1.00 0.00 WT3 H ATOM 46320 H2 TIP3 8108 10.889 10.173 9.297 1.00 0.00 WT3 H ATOM 46321 OH2 TIP3 8109 -1.201 0.394 0.681 1.00 0.00 WT3 O ATOM 46322 H1 TIP3 8109 -3.259 7.116 -12.995 1.00 0.00 WT3 H ATOM 46323 H2 TIP3 8109 -4.183 -13.621 5.997 1.00 0.00 WT3 H ATOM 46324 OH2 TIP3 8110 -2.385 -0.131 -3.869 1.00 0.00 WT3 O ATOM 46325 H1 TIP3 8110 -6.103 2.655 -4.225 1.00 0.00 WT3 H ATOM 46326 H2 TIP3 8110 -4.902 -6.724 -1.037 1.00 0.00 WT3 H ATOM 46327 OH2 TIP3 8111 3.937 5.274 -0.635 1.00 0.00 WT3 O ATOM 46328 H1 TIP3 8111 -8.627 11.316 -10.381 1.00 0.00 WT3 H ATOM 46329 H2 TIP3 8111 5.921 -7.973 -9.856 1.00 0.00 WT3 H ATOM 46330 OH2 TIP3 8112 -5.199 3.093 8.786 1.00 0.00 WT3 O ATOM 46331 H1 TIP3 8112 11.344 5.604 14.702 1.00 0.00 WT3 H ATOM 46332 H2 TIP3 8112 12.858 10.945 13.354 1.00 0.00 WT3 H ATOM 46333 OH2 TIP3 8113 3.784 0.590 1.225 1.00 0.00 WT3 O ATOM 46334 H1 TIP3 8113 -6.671 3.022 2.291 1.00 0.00 WT3 H ATOM 46335 H2 TIP3 8113 -10.577 -4.328 -0.130 1.00 0.00 WT3 H ATOM 46336 OH2 TIP3 8114 -1.955 1.587 -2.348 1.00 0.00 WT3 O ATOM 46337 H1 TIP3 8114 -3.277 4.287 -0.708 1.00 0.00 WT3 H ATOM 46338 H2 TIP3 8114 14.272 24.663 12.293 1.00 0.00 WT3 H ATOM 46339 OH2 TIP3 8116 -5.853 2.336 5.247 1.00 0.00 WT3 O ATOM 46340 H1 TIP3 8116 -23.677 7.237 12.364 1.00 0.00 WT3 H ATOM 46341 H2 TIP3 8116 -4.971 0.453 1.204 1.00 0.00 WT3 H ATOM 46342 OH2 TIP3 8117 -1.609 3.269 1.320 1.00 0.00 WT3 O ATOM 46343 H1 TIP3 8117 2.699 1.156 -10.314 1.00 0.00 WT3 H ATOM 46344 H2 TIP3 8117 -6.352 -1.635 15.519 1.00 0.00 WT3 H ATOM 46345 OH2 TIP3 8118 -0.613 -2.786 5.892 1.00 0.00 WT3 O ATOM 46346 H1 TIP3 8118 1.879 -9.390 6.393 1.00 0.00 WT3 H ATOM 46347 H2 TIP3 8118 -3.744 -1.787 -1.584 1.00 0.00 WT3 H ATOM 46348 OH2 TIP3 8121 5.150 6.275 -4.770 1.00 0.00 WT3 O ATOM 46349 H1 TIP3 8121 13.774 14.447 -1.476 1.00 0.00 WT3 H ATOM 46350 H2 TIP3 8121 17.095 17.856 4.951 1.00 0.00 WT3 H ATOM 46351 OH2 TIP3 8122 -3.177 -0.898 -3.478 1.00 0.00 WT3 O ATOM 46352 H1 TIP3 8122 21.179 9.197 11.036 1.00 0.00 WT3 H ATOM 46353 H2 TIP3 8122 -5.285 -17.196 -2.873 1.00 0.00 WT3 H ATOM 46354 OH2 TIP3 8123 -2.251 1.938 -8.340 1.00 0.00 WT3 O ATOM 46355 H1 TIP3 8123 -3.095 6.437 -24.375 1.00 0.00 WT3 H ATOM 46356 H2 TIP3 8123 -9.605 0.166 3.116 1.00 0.00 WT3 H ATOM 46357 OH2 TIP3 8128 -2.394 0.290 -2.697 1.00 0.00 WT3 O ATOM 46358 H1 TIP3 8128 12.783 7.204 9.615 1.00 0.00 WT3 H ATOM 46359 H2 TIP3 8128 0.478 17.108 10.479 1.00 0.00 WT3 H ATOM 46360 OH2 TIP3 8129 0.694 -2.612 3.684 1.00 0.00 WT3 O ATOM 46361 H1 TIP3 8129 14.922 14.196 -4.056 1.00 0.00 WT3 H ATOM 46362 H2 TIP3 8129 -12.502 12.733 -1.376 1.00 0.00 WT3 H ATOM 46363 OH2 TIP3 8133 -1.757 0.021 -1.088 1.00 0.00 WT3 O ATOM 46364 H1 TIP3 8133 -12.558 1.610 10.183 1.00 0.00 WT3 H ATOM 46365 H2 TIP3 8133 2.976 -12.755 0.970 1.00 0.00 WT3 H ATOM 46366 OH2 TIP3 8135 6.719 2.747 1.624 1.00 0.00 WT3 O ATOM 46367 H1 TIP3 8135 1.987 -16.514 -32.770 1.00 0.00 WT3 H ATOM 46368 H2 TIP3 8135 4.732 -7.761 -8.592 1.00 0.00 WT3 H ATOM 46369 OH2 TIP3 8137 -5.014 -1.421 -0.179 1.00 0.00 WT3 O ATOM 46370 H1 TIP3 8137 2.902 7.769 7.724 1.00 0.00 WT3 H ATOM 46371 H2 TIP3 8137 3.623 -0.771 -7.413 1.00 0.00 WT3 H ATOM 46372 OH2 TIP3 8138 0.940 -5.532 6.213 1.00 0.00 WT3 O ATOM 46373 H1 TIP3 8138 -7.392 -14.313 16.421 1.00 0.00 WT3 H ATOM 46374 H2 TIP3 8138 -5.925 10.822 10.011 1.00 0.00 WT3 H ATOM 46375 OH2 TIP3 8142 6.527 -4.478 0.184 1.00 0.00 WT3 O ATOM 46376 H1 TIP3 8142 -1.317 -21.658 -5.938 1.00 0.00 WT3 H ATOM 46377 H2 TIP3 8142 -10.883 -12.626 15.777 1.00 0.00 WT3 H ATOM 46378 OH2 TIP3 8143 -1.142 0.315 0.970 1.00 0.00 WT3 O ATOM 46379 H1 TIP3 8143 -0.476 -0.601 0.211 1.00 0.00 WT3 H ATOM 46380 H2 TIP3 8143 8.950 15.023 6.751 1.00 0.00 WT3 H ATOM 46381 OH2 TIP3 8146 8.155 -0.042 -3.193 1.00 0.00 WT3 O ATOM 46382 H1 TIP3 8146 -0.458 -4.065 -4.947 1.00 0.00 WT3 H ATOM 46383 H2 TIP3 8146 -6.706 -7.155 -6.124 1.00 0.00 WT3 H ATOM 46384 OH2 TIP3 8147 -6.742 2.275 -5.437 1.00 0.00 WT3 O ATOM 46385 H1 TIP3 8147 1.284 -4.469 -14.575 1.00 0.00 WT3 H ATOM 46386 H2 TIP3 8147 3.214 7.085 12.196 1.00 0.00 WT3 H ATOM 46387 OH2 TIP3 8150 -1.890 5.293 -3.016 1.00 0.00 WT3 O ATOM 46388 H1 TIP3 8150 -2.684 20.680 -2.442 1.00 0.00 WT3 H ATOM 46389 H2 TIP3 8150 1.014 14.945 2.790 1.00 0.00 WT3 H ATOM 46390 OH2 TIP3 8154 1.792 0.211 2.725 1.00 0.00 WT3 O ATOM 46391 H1 TIP3 8154 17.490 -25.927 -4.482 1.00 0.00 WT3 H ATOM 46392 H2 TIP3 8154 24.573 17.975 1.982 1.00 0.00 WT3 H ATOM 46393 OH2 TIP3 8155 -0.141 -2.074 4.385 1.00 0.00 WT3 O ATOM 46394 H1 TIP3 8155 -0.072 -2.348 -0.789 1.00 0.00 WT3 H ATOM 46395 H2 TIP3 8155 -2.945 -1.780 -2.645 1.00 0.00 WT3 H ATOM 46396 OH2 TIP3 8158 -3.405 -3.566 11.014 1.00 0.00 WT3 O ATOM 46397 H1 TIP3 8158 -6.842 -0.335 12.940 1.00 0.00 WT3 H ATOM 46398 H2 TIP3 8158 -1.630 -6.565 9.976 1.00 0.00 WT3 H ATOM 46399 OH2 TIP3 8159 -0.566 -2.316 -2.381 1.00 0.00 WT3 O ATOM 46400 H1 TIP3 8159 -28.419 7.257 -10.118 1.00 0.00 WT3 H ATOM 46401 H2 TIP3 8159 2.697 -1.085 -2.323 1.00 0.00 WT3 H ATOM 46402 OH2 TIP3 8170 -0.293 6.880 1.806 1.00 0.00 WT3 O ATOM 46403 H1 TIP3 8170 25.055 -1.216 12.230 1.00 0.00 WT3 H ATOM 46404 H2 TIP3 8170 -20.989 -4.252 19.273 1.00 0.00 WT3 H ATOM 46405 OH2 TIP3 8174 -2.778 -0.331 -2.996 1.00 0.00 WT3 O ATOM 46406 H1 TIP3 8174 -18.779 3.318 -3.987 1.00 0.00 WT3 H ATOM 46407 H2 TIP3 8174 -1.359 -27.011 -30.884 1.00 0.00 WT3 H ATOM 46408 OH2 TIP3 8178 2.445 3.169 4.773 1.00 0.00 WT3 O ATOM 46409 H1 TIP3 8178 26.995 4.789 0.053 1.00 0.00 WT3 H ATOM 46410 H2 TIP3 8178 3.975 -30.738 -2.994 1.00 0.00 WT3 H ATOM 46411 OH2 TIP3 8180 2.376 -1.795 -2.243 1.00 0.00 WT3 O ATOM 46412 H1 TIP3 8180 -11.562 1.066 22.560 1.00 0.00 WT3 H ATOM 46413 H2 TIP3 8180 4.840 -1.034 6.938 1.00 0.00 WT3 H ATOM 46414 OH2 TIP3 8183 0.603 3.539 1.246 1.00 0.00 WT3 O ATOM 46415 H1 TIP3 8183 -4.235 2.101 -19.656 1.00 0.00 WT3 H ATOM 46416 H2 TIP3 8183 15.898 10.421 19.012 1.00 0.00 WT3 H ATOM 46417 OH2 TIP3 8185 1.707 -0.183 -4.870 1.00 0.00 WT3 O ATOM 46418 H1 TIP3 8185 -13.477 -0.620 19.582 1.00 0.00 WT3 H ATOM 46419 H2 TIP3 8185 19.741 3.020 -5.893 1.00 0.00 WT3 H ATOM 46420 OH2 TIP3 8201 2.578 5.032 1.267 1.00 0.00 WT3 O ATOM 46421 H1 TIP3 8201 14.175 5.113 10.353 1.00 0.00 WT3 H ATOM 46422 H2 TIP3 8201 7.203 -13.101 3.897 1.00 0.00 WT3 H ATOM 46423 OH2 TIP3 8202 5.640 -3.072 -2.034 1.00 0.00 WT3 O ATOM 46424 H1 TIP3 8202 -0.702 6.344 0.260 1.00 0.00 WT3 H ATOM 46425 H2 TIP3 8202 3.420 3.782 21.832 1.00 0.00 WT3 H ATOM 46426 OH2 TIP3 8206 2.382 -2.140 -1.601 1.00 0.00 WT3 O ATOM 46427 H1 TIP3 8206 20.691 29.616 -21.155 1.00 0.00 WT3 H ATOM 46428 H2 TIP3 8206 4.008 -12.333 -9.755 1.00 0.00 WT3 H ATOM 46429 OH2 TIP3 8219 -0.385 -4.168 -3.514 1.00 0.00 WT3 O ATOM 46430 H1 TIP3 8219 5.406 7.023 0.591 1.00 0.00 WT3 H ATOM 46431 H2 TIP3 8219 -4.467 -11.351 -4.896 1.00 0.00 WT3 H ATOM 46432 OH2 TIP3 8228 -5.077 2.709 -0.097 1.00 0.00 WT3 O ATOM 46433 H1 TIP3 8228 -9.234 17.359 16.652 1.00 0.00 WT3 H ATOM 46434 H2 TIP3 8228 -11.297 13.978 7.454 1.00 0.00 WT3 H ATOM 46435 OH2 TIP3 8267 -1.667 -1.302 -8.961 1.00 0.00 WT3 O ATOM 46436 H1 TIP3 8267 -3.162 -3.004 -5.772 1.00 0.00 WT3 H ATOM 46437 H2 TIP3 8267 -6.941 4.904 1.166 1.00 0.00 WT3 H ATOM 46438 OH2 TIP3 8270 1.614 0.312 6.655 1.00 0.00 WT3 O ATOM 46439 H1 TIP3 8270 4.608 1.142 11.418 1.00 0.00 WT3 H ATOM 46440 H2 TIP3 8270 3.346 2.636 6.049 1.00 0.00 WT3 H ATOM 46441 OH2 TIP3 8290 8.500 -4.975 -5.164 1.00 0.00 WT3 O ATOM 46442 H1 TIP3 8290 -7.544 -0.412 23.745 1.00 0.00 WT3 H ATOM 46443 H2 TIP3 8290 -3.054 12.579 -20.366 1.00 0.00 WT3 H ATOM 46444 OH2 TIP3 8304 -1.943 -1.687 3.269 1.00 0.00 WT3 O ATOM 46445 H1 TIP3 8304 7.604 -4.158 17.045 1.00 0.00 WT3 H ATOM 46446 H2 TIP3 8304 -4.299 3.726 0.375 1.00 0.00 WT3 H ATOM 46447 OH2 TIP3 8309 -3.795 -0.560 5.638 1.00 0.00 WT3 O ATOM 46448 H1 TIP3 8309 14.963 -13.078 7.753 1.00 0.00 WT3 H ATOM 46449 H2 TIP3 8309 -27.517 -10.455 8.128 1.00 0.00 WT3 H ATOM 46450 OH2 TIP3 8319 -3.328 -1.088 0.087 1.00 0.00 WT3 O ATOM 46451 H1 TIP3 8319 2.174 -13.833 9.798 1.00 0.00 WT3 H ATOM 46452 H2 TIP3 8319 4.676 -0.625 19.387 1.00 0.00 WT3 H ATOM 46453 OH2 TIP3 8322 3.123 2.968 -2.107 1.00 0.00 WT3 O ATOM 46454 H1 TIP3 8322 16.477 -6.176 12.653 1.00 0.00 WT3 H ATOM 46455 H2 TIP3 8322 -18.694 13.144 -30.477 1.00 0.00 WT3 H ATOM 46456 OH2 TIP3 8324 0.242 -2.592 -0.506 1.00 0.00 WT3 O ATOM 46457 H1 TIP3 8324 24.139 -12.784 1.310 1.00 0.00 WT3 H ATOM 46458 H2 TIP3 8324 -23.360 8.387 38.300 1.00 0.00 WT3 H ATOM 46459 OH2 TIP3 8327 -0.399 -0.814 -1.683 1.00 0.00 WT3 O ATOM 46460 H1 TIP3 8327 -10.267 -4.711 -2.051 1.00 0.00 WT3 H ATOM 46461 H2 TIP3 8327 -9.201 -12.278 -9.154 1.00 0.00 WT3 H ATOM 46462 OH2 TIP3 8339 3.168 -2.146 -3.175 1.00 0.00 WT3 O ATOM 46463 H1 TIP3 8339 -17.942 -3.804 4.226 1.00 0.00 WT3 H ATOM 46464 H2 TIP3 8339 9.843 -8.684 3.446 1.00 0.00 WT3 H ATOM 46465 OH2 TIP3 8345 -6.589 5.532 1.944 1.00 0.00 WT3 O ATOM 46466 H1 TIP3 8345 -0.434 0.483 -2.839 1.00 0.00 WT3 H ATOM 46467 H2 TIP3 8345 3.311 -2.073 -12.504 1.00 0.00 WT3 H ATOM 46468 OH2 TIP3 8348 0.135 -2.106 -1.739 1.00 0.00 WT3 O ATOM 46469 H1 TIP3 8348 18.469 0.302 -5.303 1.00 0.00 WT3 H ATOM 46470 H2 TIP3 8348 10.476 1.626 -10.670 1.00 0.00 WT3 H ATOM 46471 OH2 TIP3 8349 2.264 -5.388 1.789 1.00 0.00 WT3 O ATOM 46472 H1 TIP3 8349 5.404 -7.062 -4.563 1.00 0.00 WT3 H ATOM 46473 H2 TIP3 8349 1.186 -8.528 1.777 1.00 0.00 WT3 H ATOM 46474 OH2 TIP3 8354 1.232 1.132 4.700 1.00 0.00 WT3 O ATOM 46475 H1 TIP3 8354 -15.292 9.901 12.773 1.00 0.00 WT3 H ATOM 46476 H2 TIP3 8354 -32.137 1.739 3.931 1.00 0.00 WT3 H ATOM 46477 OH2 TIP3 8355 1.918 -3.292 2.980 1.00 0.00 WT3 O ATOM 46478 H1 TIP3 8355 1.295 10.180 -15.589 1.00 0.00 WT3 H ATOM 46479 H2 TIP3 8355 -10.829 3.304 35.761 1.00 0.00 WT3 H ATOM 46480 OH2 TIP3 8359 -12.007 3.784 0.183 1.00 0.00 WT3 O ATOM 46481 H1 TIP3 8359 -10.555 14.319 -1.099 1.00 0.00 WT3 H ATOM 46482 H2 TIP3 8359 -19.171 -20.804 2.951 1.00 0.00 WT3 H ATOM 46483 OH2 TIP3 8360 -3.751 3.470 -3.414 1.00 0.00 WT3 O ATOM 46484 H1 TIP3 8360 5.612 -5.795 -14.970 1.00 0.00 WT3 H ATOM 46485 H2 TIP3 8360 8.230 1.942 9.065 1.00 0.00 WT3 H ATOM 46486 OH2 TIP3 8364 3.002 3.145 -4.115 1.00 0.00 WT3 O ATOM 46487 H1 TIP3 8364 9.000 24.237 -0.415 1.00 0.00 WT3 H ATOM 46488 H2 TIP3 8364 10.478 6.179 19.803 1.00 0.00 WT3 H ATOM 46489 OH2 TIP3 8365 1.812 1.340 0.595 1.00 0.00 WT3 O ATOM 46490 H1 TIP3 8365 -6.022 3.094 6.040 1.00 0.00 WT3 H ATOM 46491 H2 TIP3 8365 -3.204 0.691 -2.693 1.00 0.00 WT3 H ATOM 46492 OH2 TIP3 8369 12.250 0.249 -2.079 1.00 0.00 WT3 O ATOM 46493 H1 TIP3 8369 10.288 -9.001 -17.942 1.00 0.00 WT3 H ATOM 46494 H2 TIP3 8369 12.590 6.142 7.706 1.00 0.00 WT3 H ATOM 46495 OH2 TIP3 8370 -1.601 1.856 -3.246 1.00 0.00 WT3 O ATOM 46496 H1 TIP3 8370 8.732 4.851 12.754 1.00 0.00 WT3 H ATOM 46497 H2 TIP3 8370 10.151 18.824 3.268 1.00 0.00 WT3 H ATOM 46498 OH2 TIP3 8372 3.989 3.531 -0.893 1.00 0.00 WT3 O ATOM 46499 H1 TIP3 8372 -4.254 -29.609 6.899 1.00 0.00 WT3 H ATOM 46500 H2 TIP3 8372 16.604 3.229 -32.332 1.00 0.00 WT3 H ATOM 46501 OH2 TIP3 8375 9.772 -2.972 -8.834 1.00 0.00 WT3 O ATOM 46502 H1 TIP3 8375 21.333 -5.584 6.624 1.00 0.00 WT3 H ATOM 46503 H2 TIP3 8375 2.026 -4.174 15.756 1.00 0.00 WT3 H ATOM 46504 OH2 TIP3 8376 -0.022 0.514 0.023 1.00 0.00 WT3 O ATOM 46505 H1 TIP3 8376 -25.556 -17.560 5.896 1.00 0.00 WT3 H ATOM 46506 H2 TIP3 8376 1.994 7.256 -2.635 1.00 0.00 WT3 H ATOM 46507 OH2 TIP3 8377 -2.421 3.022 5.767 1.00 0.00 WT3 O ATOM 46508 H1 TIP3 8377 -3.913 -4.373 4.146 1.00 0.00 WT3 H ATOM 46509 H2 TIP3 8377 -5.192 -6.467 0.131 1.00 0.00 WT3 H ATOM 46510 OH2 TIP3 8378 2.904 -6.876 7.624 1.00 0.00 WT3 O ATOM 46511 H1 TIP3 8378 -6.955 10.474 13.659 1.00 0.00 WT3 H ATOM 46512 H2 TIP3 8378 4.193 1.471 2.792 1.00 0.00 WT3 H ATOM 46513 OH2 TIP3 8381 -0.333 -2.475 2.689 1.00 0.00 WT3 O ATOM 46514 H1 TIP3 8381 -7.187 -6.371 3.398 1.00 0.00 WT3 H ATOM 46515 H2 TIP3 8381 21.250 3.771 -23.864 1.00 0.00 WT3 H ATOM 46516 OH2 TIP3 8382 1.663 0.159 5.979 1.00 0.00 WT3 O ATOM 46517 H1 TIP3 8382 4.759 12.149 7.004 1.00 0.00 WT3 H ATOM 46518 H2 TIP3 8382 6.939 -7.925 0.463 1.00 0.00 WT3 H ATOM 46519 OH2 TIP3 8384 -0.437 -4.550 -4.911 1.00 0.00 WT3 O ATOM 46520 H1 TIP3 8384 -1.749 -1.304 -12.635 1.00 0.00 WT3 H ATOM 46521 H2 TIP3 8384 1.456 -22.161 0.120 1.00 0.00 WT3 H ATOM 46522 OH2 TIP3 8386 -0.116 2.463 7.533 1.00 0.00 WT3 O ATOM 46523 H1 TIP3 8386 7.333 5.164 7.633 1.00 0.00 WT3 H ATOM 46524 H2 TIP3 8386 -21.077 -3.276 -6.847 1.00 0.00 WT3 H ATOM 46525 OH2 TIP3 8388 2.129 -3.185 -0.190 1.00 0.00 WT3 O ATOM 46526 H1 TIP3 8388 -15.731 -11.270 -24.336 1.00 0.00 WT3 H ATOM 46527 H2 TIP3 8388 10.381 0.356 8.504 1.00 0.00 WT3 H ATOM 46528 OH2 TIP3 8389 -1.653 -5.275 2.210 1.00 0.00 WT3 O ATOM 46529 H1 TIP3 8389 -0.272 -1.830 2.896 1.00 0.00 WT3 H ATOM 46530 H2 TIP3 8389 1.714 -6.401 1.118 1.00 0.00 WT3 H ATOM 46531 OH2 TIP3 8391 -2.452 -2.165 -4.831 1.00 0.00 WT3 O ATOM 46532 H1 TIP3 8391 1.678 -11.514 -7.653 1.00 0.00 WT3 H ATOM 46533 H2 TIP3 8391 -8.031 0.833 2.601 1.00 0.00 WT3 H ATOM 46534 OH2 TIP3 8392 -0.301 1.712 5.068 1.00 0.00 WT3 O ATOM 46535 H1 TIP3 8392 19.326 -12.948 14.060 1.00 0.00 WT3 H ATOM 46536 H2 TIP3 8392 -12.660 10.302 -1.844 1.00 0.00 WT3 H ATOM 46537 OH2 TIP3 8393 -11.773 1.938 -0.662 1.00 0.00 WT3 O ATOM 46538 H1 TIP3 8393 -13.913 -0.494 5.687 1.00 0.00 WT3 H ATOM 46539 H2 TIP3 8393 7.362 3.614 0.761 1.00 0.00 WT3 H ATOM 46540 OH2 TIP3 8394 -8.035 -3.747 4.847 1.00 0.00 WT3 O ATOM 46541 H1 TIP3 8394 4.663 -15.839 -23.446 1.00 0.00 WT3 H ATOM 46542 H2 TIP3 8394 -10.106 3.800 8.408 1.00 0.00 WT3 H ATOM 46543 OH2 TIP3 8396 -3.701 -1.983 -0.202 1.00 0.00 WT3 O ATOM 46544 H1 TIP3 8396 -11.616 8.844 22.767 1.00 0.00 WT3 H ATOM 46545 H2 TIP3 8396 1.135 -8.954 -15.948 1.00 0.00 WT3 H ATOM 46546 OH2 TIP3 8397 2.802 7.765 -5.892 1.00 0.00 WT3 O ATOM 46547 H1 TIP3 8397 -14.228 14.447 -13.532 1.00 0.00 WT3 H ATOM 46548 H2 TIP3 8397 22.697 -8.202 9.598 1.00 0.00 WT3 H ATOM 46549 OH2 TIP3 8399 -0.495 2.439 -3.437 1.00 0.00 WT3 O ATOM 46550 H1 TIP3 8399 24.717 -8.505 -8.141 1.00 0.00 WT3 H ATOM 46551 H2 TIP3 8399 -3.416 0.602 25.549 1.00 0.00 WT3 H ATOM 46552 OH2 TIP3 8401 6.964 3.720 -1.215 1.00 0.00 WT3 O ATOM 46553 H1 TIP3 8401 -1.071 -1.776 13.037 1.00 0.00 WT3 H ATOM 46554 H2 TIP3 8401 2.797 13.554 -5.906 1.00 0.00 WT3 H ATOM 46555 OH2 TIP3 8402 -1.714 9.614 3.956 1.00 0.00 WT3 O ATOM 46556 H1 TIP3 8402 9.285 -0.762 7.590 1.00 0.00 WT3 H ATOM 46557 H2 TIP3 8402 -27.887 13.993 -9.108 1.00 0.00 WT3 H ATOM 46558 OH2 TIP3 8403 -0.973 0.176 2.288 1.00 0.00 WT3 O ATOM 46559 H1 TIP3 8403 -2.729 4.190 -18.507 1.00 0.00 WT3 H ATOM 46560 H2 TIP3 8403 -3.877 -3.739 -20.674 1.00 0.00 WT3 H ATOM 46561 OH2 TIP3 8404 -0.597 4.950 2.571 1.00 0.00 WT3 O ATOM 46562 H1 TIP3 8404 -18.790 -2.320 11.013 1.00 0.00 WT3 H ATOM 46563 H2 TIP3 8404 8.145 -5.900 -0.775 1.00 0.00 WT3 H ATOM 46564 OH2 TIP3 8406 7.671 -2.132 2.704 1.00 0.00 WT3 O ATOM 46565 H1 TIP3 8406 -40.246 -14.611 4.687 1.00 0.00 WT3 H ATOM 46566 H2 TIP3 8406 13.171 -3.710 -5.957 1.00 0.00 WT3 H ATOM 46567 OH2 TIP3 8408 2.243 0.191 -4.207 1.00 0.00 WT3 O ATOM 46568 H1 TIP3 8408 3.493 -19.736 -7.749 1.00 0.00 WT3 H ATOM 46569 H2 TIP3 8408 13.604 6.002 4.452 1.00 0.00 WT3 H ATOM 46570 OH2 TIP3 8409 -1.706 -3.327 0.490 1.00 0.00 WT3 O ATOM 46571 H1 TIP3 8409 -22.142 7.248 -1.587 1.00 0.00 WT3 H ATOM 46572 H2 TIP3 8409 -14.883 -8.677 -10.204 1.00 0.00 WT3 H ATOM 46573 OH2 TIP3 8410 2.580 0.836 -7.271 1.00 0.00 WT3 O ATOM 46574 H1 TIP3 8410 -35.801 -4.565 -2.233 1.00 0.00 WT3 H ATOM 46575 H2 TIP3 8410 -22.744 15.311 40.423 1.00 0.00 WT3 H ATOM 46576 OH2 TIP3 8411 -1.399 5.474 -6.329 1.00 0.00 WT3 O ATOM 46577 H1 TIP3 8411 -7.585 -3.166 -20.355 1.00 0.00 WT3 H ATOM 46578 H2 TIP3 8411 11.418 2.706 -11.243 1.00 0.00 WT3 H ATOM 46579 OH2 TIP3 8412 -1.477 1.497 -0.879 1.00 0.00 WT3 O ATOM 46580 H1 TIP3 8412 -9.822 -20.910 1.458 1.00 0.00 WT3 H ATOM 46581 H2 TIP3 8412 17.173 -2.630 -9.483 1.00 0.00 WT3 H ATOM 46582 OH2 TIP3 8413 3.745 -2.822 -6.444 1.00 0.00 WT3 O ATOM 46583 H1 TIP3 8413 19.609 -3.079 25.382 1.00 0.00 WT3 H ATOM 46584 H2 TIP3 8413 22.853 17.725 -4.196 1.00 0.00 WT3 H ATOM 46585 OH2 TIP3 8414 -4.322 6.107 -1.837 1.00 0.00 WT3 O ATOM 46586 H1 TIP3 8414 1.791 -18.400 -1.499 1.00 0.00 WT3 H ATOM 46587 H2 TIP3 8414 -28.554 6.868 -9.495 1.00 0.00 WT3 H ATOM 46588 OH2 TIP3 8415 1.584 -3.649 -4.603 1.00 0.00 WT3 O ATOM 46589 H1 TIP3 8415 13.271 -14.996 -11.336 1.00 0.00 WT3 H ATOM 46590 H2 TIP3 8415 -5.382 7.855 -18.608 1.00 0.00 WT3 H ATOM 46591 OH2 TIP3 8416 3.009 -4.908 0.667 1.00 0.00 WT3 O ATOM 46592 H1 TIP3 8416 -5.147 -9.708 -6.027 1.00 0.00 WT3 H ATOM 46593 H2 TIP3 8416 6.248 -10.089 -10.360 1.00 0.00 WT3 H ATOM 46594 OH2 TIP3 8419 6.013 -2.007 4.794 1.00 0.00 WT3 O ATOM 46595 H1 TIP3 8419 8.562 -20.061 -5.768 1.00 0.00 WT3 H ATOM 46596 H2 TIP3 8419 -8.007 5.170 3.218 1.00 0.00 WT3 H ATOM 46597 OH2 TIP3 8420 1.535 0.265 0.161 1.00 0.00 WT3 O ATOM 46598 H1 TIP3 8420 17.802 4.600 4.094 1.00 0.00 WT3 H ATOM 46599 H2 TIP3 8420 -7.280 8.686 9.832 1.00 0.00 WT3 H ATOM 46600 OH2 TIP3 8421 -5.787 1.290 -0.297 1.00 0.00 WT3 O ATOM 46601 H1 TIP3 8421 -4.939 2.368 1.118 1.00 0.00 WT3 H ATOM 46602 H2 TIP3 8421 -4.637 -1.571 0.634 1.00 0.00 WT3 H ATOM 46603 OH2 TIP3 8422 -0.775 0.872 -2.566 1.00 0.00 WT3 O ATOM 46604 H1 TIP3 8422 5.178 -8.535 -11.698 1.00 0.00 WT3 H ATOM 46605 H2 TIP3 8422 -14.240 4.400 -3.195 1.00 0.00 WT3 H ATOM 46606 OH2 TIP3 8423 -2.910 -3.736 12.274 1.00 0.00 WT3 O ATOM 46607 H1 TIP3 8423 13.248 2.696 0.386 1.00 0.00 WT3 H ATOM 46608 H2 TIP3 8423 2.919 -1.283 9.947 1.00 0.00 WT3 H ATOM 46609 OH2 TIP3 8424 3.190 -1.692 -5.901 1.00 0.00 WT3 O ATOM 46610 H1 TIP3 8424 -2.790 -11.332 -28.577 1.00 0.00 WT3 H ATOM 46611 H2 TIP3 8424 -3.367 15.025 -31.101 1.00 0.00 WT3 H ATOM 46612 OH2 TIP3 8425 -9.642 8.539 5.015 1.00 0.00 WT3 O ATOM 46613 H1 TIP3 8425 -4.216 11.333 3.455 1.00 0.00 WT3 H ATOM 46614 H2 TIP3 8425 -11.986 -8.403 12.240 1.00 0.00 WT3 H ATOM 46615 OH2 TIP3 8426 -1.975 -7.870 3.766 1.00 0.00 WT3 O ATOM 46616 H1 TIP3 8426 -10.658 -15.997 -13.337 1.00 0.00 WT3 H ATOM 46617 H2 TIP3 8426 -11.733 -2.936 14.891 1.00 0.00 WT3 H ATOM 46618 OH2 TIP3 8427 2.114 5.248 -5.574 1.00 0.00 WT3 O ATOM 46619 H1 TIP3 8427 0.443 14.302 -11.137 1.00 0.00 WT3 H ATOM 46620 H2 TIP3 8427 4.324 9.263 3.933 1.00 0.00 WT3 H ATOM 46621 OH2 TIP3 8428 -2.374 1.002 -2.367 1.00 0.00 WT3 O ATOM 46622 H1 TIP3 8428 -20.284 -45.423 -10.287 1.00 0.00 WT3 H ATOM 46623 H2 TIP3 8428 2.725 10.856 -5.290 1.00 0.00 WT3 H ATOM 46624 OH2 TIP3 8429 7.176 -12.091 -4.694 1.00 0.00 WT3 O ATOM 46625 H1 TIP3 8429 16.345 5.687 -15.288 1.00 0.00 WT3 H ATOM 46626 H2 TIP3 8429 4.546 -7.008 -24.104 1.00 0.00 WT3 H ATOM 46627 OH2 TIP3 8430 -3.532 -4.576 1.571 1.00 0.00 WT3 O ATOM 46628 H1 TIP3 8430 -12.294 -12.752 -14.191 1.00 0.00 WT3 H ATOM 46629 H2 TIP3 8430 16.068 0.514 -2.504 1.00 0.00 WT3 H ATOM 46630 OH2 TIP3 8431 1.374 5.867 4.644 1.00 0.00 WT3 O ATOM 46631 H1 TIP3 8431 1.186 1.658 -3.953 1.00 0.00 WT3 H ATOM 46632 H2 TIP3 8431 -17.686 5.412 2.981 1.00 0.00 WT3 H ATOM 46633 OH2 TIP3 8432 -1.048 -2.889 -1.696 1.00 0.00 WT3 O ATOM 46634 H1 TIP3 8432 2.952 -14.818 -0.739 1.00 0.00 WT3 H ATOM 46635 H2 TIP3 8432 -4.956 -1.800 -12.454 1.00 0.00 WT3 H ATOM 46636 OH2 TIP3 8433 -3.590 3.217 -0.958 1.00 0.00 WT3 O ATOM 46637 H1 TIP3 8433 -3.700 1.556 8.089 1.00 0.00 WT3 H ATOM 46638 H2 TIP3 8433 31.433 -18.532 10.595 1.00 0.00 WT3 H ATOM 46639 OH2 TIP3 8434 3.931 0.270 -2.104 1.00 0.00 WT3 O ATOM 46640 H1 TIP3 8434 4.180 2.893 -11.265 1.00 0.00 WT3 H ATOM 46641 H2 TIP3 8434 -9.391 -8.828 7.370 1.00 0.00 WT3 H ATOM 46642 OH2 TIP3 8435 0.525 -2.430 0.464 1.00 0.00 WT3 O ATOM 46643 H1 TIP3 8435 37.806 -18.513 -15.378 1.00 0.00 WT3 H ATOM 46644 H2 TIP3 8435 -11.807 5.071 -6.843 1.00 0.00 WT3 H ATOM 46645 OH2 TIP3 8437 1.744 0.920 -2.665 1.00 0.00 WT3 O ATOM 46646 H1 TIP3 8437 -4.592 1.225 -6.209 1.00 0.00 WT3 H ATOM 46647 H2 TIP3 8437 -0.170 -2.744 3.009 1.00 0.00 WT3 H ATOM 46648 OH2 TIP3 8438 -4.439 -0.659 -0.956 1.00 0.00 WT3 O ATOM 46649 H1 TIP3 8438 -8.481 18.002 -10.797 1.00 0.00 WT3 H ATOM 46650 H2 TIP3 8438 -2.684 13.448 15.178 1.00 0.00 WT3 H ATOM 46651 OH2 TIP3 8439 6.332 2.827 -7.961 1.00 0.00 WT3 O ATOM 46652 H1 TIP3 8439 -9.812 0.277 12.891 1.00 0.00 WT3 H ATOM 46653 H2 TIP3 8439 5.923 1.009 -18.319 1.00 0.00 WT3 H ATOM 46654 OH2 TIP3 8441 2.829 -5.401 4.414 1.00 0.00 WT3 O ATOM 46655 H1 TIP3 8441 3.146 -3.652 -0.152 1.00 0.00 WT3 H ATOM 46656 H2 TIP3 8441 0.685 -2.661 -4.565 1.00 0.00 WT3 H ATOM 46657 OH2 TIP3 8442 2.018 7.678 -0.920 1.00 0.00 WT3 O ATOM 46658 H1 TIP3 8442 12.992 1.087 5.395 1.00 0.00 WT3 H ATOM 46659 H2 TIP3 8442 8.330 -13.037 4.236 1.00 0.00 WT3 H ATOM 46660 OH2 TIP3 8443 5.481 -0.954 -2.855 1.00 0.00 WT3 O ATOM 46661 H1 TIP3 8443 13.719 -9.099 -17.964 1.00 0.00 WT3 H ATOM 46662 H2 TIP3 8443 2.193 10.510 -16.193 1.00 0.00 WT3 H ATOM 46663 OH2 TIP3 8444 2.584 -3.644 0.419 1.00 0.00 WT3 O ATOM 46664 H1 TIP3 8444 -43.131 -21.025 -13.543 1.00 0.00 WT3 H ATOM 46665 H2 TIP3 8444 7.183 -2.454 1.873 1.00 0.00 WT3 H ATOM 46666 OH2 TIP3 8445 4.699 -1.604 -7.281 1.00 0.00 WT3 O ATOM 46667 H1 TIP3 8445 1.006 -9.447 -2.657 1.00 0.00 WT3 H ATOM 46668 H2 TIP3 8445 -14.043 -6.400 -14.418 1.00 0.00 WT3 H ATOM 46669 OH2 TIP3 8446 0.720 -0.890 -1.090 1.00 0.00 WT3 O ATOM 46670 H1 TIP3 8446 11.716 10.717 -7.687 1.00 0.00 WT3 H ATOM 46671 H2 TIP3 8446 8.429 8.476 -12.937 1.00 0.00 WT3 H ATOM 46672 OH2 TIP3 8447 4.266 1.894 5.079 1.00 0.00 WT3 O ATOM 46673 H1 TIP3 8447 7.485 4.505 7.301 1.00 0.00 WT3 H ATOM 46674 H2 TIP3 8447 7.700 3.446 6.116 1.00 0.00 WT3 H ATOM 46675 OH2 TIP3 8448 1.597 1.186 2.514 1.00 0.00 WT3 O ATOM 46676 H1 TIP3 8448 9.203 -25.619 -31.774 1.00 0.00 WT3 H ATOM 46677 H2 TIP3 8448 6.054 -15.381 -9.736 1.00 0.00 WT3 H ATOM 46678 OH2 TIP3 8450 -2.952 -6.930 1.430 1.00 0.00 WT3 O ATOM 46679 H1 TIP3 8450 -0.454 -20.987 10.342 1.00 0.00 WT3 H ATOM 46680 H2 TIP3 8450 3.512 6.407 11.036 1.00 0.00 WT3 H ATOM 46681 OH2 TIP3 8451 -4.565 5.906 4.022 1.00 0.00 WT3 O ATOM 46682 H1 TIP3 8451 2.773 -3.631 -4.754 1.00 0.00 WT3 H ATOM 46683 H2 TIP3 8451 -0.925 1.176 18.478 1.00 0.00 WT3 H ATOM 46684 OH2 TIP3 8453 4.443 -3.535 -7.688 1.00 0.00 WT3 O ATOM 46685 H1 TIP3 8453 13.664 -1.202 0.755 1.00 0.00 WT3 H ATOM 46686 H2 TIP3 8453 -8.921 -19.368 -10.969 1.00 0.00 WT3 H ATOM 46687 OH2 TIP3 8455 -2.111 1.546 3.577 1.00 0.00 WT3 O ATOM 46688 H1 TIP3 8455 3.425 -15.667 5.134 1.00 0.00 WT3 H ATOM 46689 H2 TIP3 8455 3.409 -20.824 14.002 1.00 0.00 WT3 H ATOM 46690 OH2 TIP3 8456 6.704 4.757 7.266 1.00 0.00 WT3 O ATOM 46691 H1 TIP3 8456 -10.787 -29.911 -9.170 1.00 0.00 WT3 H ATOM 46692 H2 TIP3 8456 2.394 15.369 16.067 1.00 0.00 WT3 H ATOM 46693 OH2 TIP3 8457 0.447 0.841 0.246 1.00 0.00 WT3 O ATOM 46694 H1 TIP3 8457 -5.989 2.609 16.859 1.00 0.00 WT3 H ATOM 46695 H2 TIP3 8457 -6.139 1.434 3.186 1.00 0.00 WT3 H ATOM 46696 OH2 TIP3 8458 3.357 -3.678 -1.352 1.00 0.00 WT3 O ATOM 46697 H1 TIP3 8458 7.614 -13.683 -5.976 1.00 0.00 WT3 H ATOM 46698 H2 TIP3 8458 8.087 10.912 -16.901 1.00 0.00 WT3 H ATOM 46699 OH2 TIP3 8459 6.042 -3.470 1.503 1.00 0.00 WT3 O ATOM 46700 H1 TIP3 8459 6.661 0.839 3.906 1.00 0.00 WT3 H ATOM 46701 H2 TIP3 8459 7.111 -5.900 6.487 1.00 0.00 WT3 H ATOM 46702 OH2 TIP3 8461 -3.812 -0.594 7.045 1.00 0.00 WT3 O ATOM 46703 H1 TIP3 8461 -13.218 1.821 22.842 1.00 0.00 WT3 H ATOM 46704 H2 TIP3 8461 9.830 27.573 14.769 1.00 0.00 WT3 H ATOM 46705 OH2 TIP3 8462 -3.829 0.319 0.865 1.00 0.00 WT3 O ATOM 46706 H1 TIP3 8462 -27.933 -13.406 -19.845 1.00 0.00 WT3 H ATOM 46707 H2 TIP3 8462 3.760 17.017 -19.096 1.00 0.00 WT3 H ATOM 46708 OH2 TIP3 8463 -3.146 3.147 -2.707 1.00 0.00 WT3 O ATOM 46709 H1 TIP3 8463 -19.552 9.432 0.061 1.00 0.00 WT3 H ATOM 46710 H2 TIP3 8463 16.256 -10.644 6.687 1.00 0.00 WT3 H ATOM 46711 OH2 TIP3 8464 4.135 -1.664 -3.655 1.00 0.00 WT3 O ATOM 46712 H1 TIP3 8464 -2.582 33.313 12.106 1.00 0.00 WT3 H ATOM 46713 H2 TIP3 8464 -3.649 38.633 4.984 1.00 0.00 WT3 H ATOM 46714 OH2 TIP3 8465 7.673 -0.608 1.181 1.00 0.00 WT3 O ATOM 46715 H1 TIP3 8465 -2.782 4.078 -2.512 1.00 0.00 WT3 H ATOM 46716 H2 TIP3 8465 2.158 3.147 6.422 1.00 0.00 WT3 H ATOM 46717 OH2 TIP3 8466 -1.112 3.147 3.677 1.00 0.00 WT3 O ATOM 46718 H1 TIP3 8466 1.324 27.136 4.188 1.00 0.00 WT3 H ATOM 46719 H2 TIP3 8466 13.611 -3.151 -8.445 1.00 0.00 WT3 H ATOM 46720 OH2 TIP3 8467 2.319 2.193 -2.043 1.00 0.00 WT3 O ATOM 46721 H1 TIP3 8467 4.652 -0.955 -5.338 1.00 0.00 WT3 H ATOM 46722 H2 TIP3 8467 2.339 -29.941 -8.666 1.00 0.00 WT3 H ATOM 46723 OH2 TIP3 8468 -3.480 2.563 3.164 1.00 0.00 WT3 O ATOM 46724 H1 TIP3 8468 -6.096 -5.834 -1.216 1.00 0.00 WT3 H ATOM 46725 H2 TIP3 8468 2.551 -10.690 -1.614 1.00 0.00 WT3 H ATOM 46726 OH2 TIP3 8469 -1.343 5.346 2.208 1.00 0.00 WT3 O ATOM 46727 H1 TIP3 8469 -0.201 8.483 -3.007 1.00 0.00 WT3 H ATOM 46728 H2 TIP3 8469 -1.278 4.072 3.365 1.00 0.00 WT3 H ATOM 46729 OH2 TIP3 8470 1.414 2.811 2.014 1.00 0.00 WT3 O ATOM 46730 H1 TIP3 8470 9.084 19.298 -8.132 1.00 0.00 WT3 H ATOM 46731 H2 TIP3 8470 9.314 -21.936 -6.559 1.00 0.00 WT3 H ATOM 46732 OH2 TIP3 8472 -2.474 0.037 4.382 1.00 0.00 WT3 O ATOM 46733 H1 TIP3 8472 4.185 10.987 0.280 1.00 0.00 WT3 H ATOM 46734 H2 TIP3 8472 6.053 -8.310 10.473 1.00 0.00 WT3 H ATOM 46735 OH2 TIP3 8473 -4.810 -4.974 -1.336 1.00 0.00 WT3 O ATOM 46736 H1 TIP3 8473 -1.265 -5.322 -0.800 1.00 0.00 WT3 H ATOM 46737 H2 TIP3 8473 -10.323 -13.400 1.471 1.00 0.00 WT3 H ATOM 46738 OH2 TIP3 8474 -1.867 2.870 -1.059 1.00 0.00 WT3 O ATOM 46739 H1 TIP3 8474 4.090 -14.409 11.589 1.00 0.00 WT3 H ATOM 46740 H2 TIP3 8474 -3.858 0.713 -27.876 1.00 0.00 WT3 H ATOM 46741 OH2 TIP3 8475 2.293 -2.008 -2.862 1.00 0.00 WT3 O ATOM 46742 H1 TIP3 8475 4.215 4.265 -19.975 1.00 0.00 WT3 H ATOM 46743 H2 TIP3 8475 0.069 1.552 -9.763 1.00 0.00 WT3 H ATOM 46744 OH2 TIP3 8476 -1.624 1.892 2.727 1.00 0.00 WT3 O ATOM 46745 H1 TIP3 8476 -5.801 6.125 5.659 1.00 0.00 WT3 H ATOM 46746 H2 TIP3 8476 21.444 -22.881 -2.244 1.00 0.00 WT3 H ATOM 46747 OH2 TIP3 8477 2.696 -1.779 2.613 1.00 0.00 WT3 O ATOM 46748 H1 TIP3 8477 -2.336 7.330 -6.721 1.00 0.00 WT3 H ATOM 46749 H2 TIP3 8477 -8.748 -1.650 -5.044 1.00 0.00 WT3 H ATOM 46750 OH2 TIP3 8478 -1.637 -2.341 -0.245 1.00 0.00 WT3 O ATOM 46751 H1 TIP3 8478 0.921 -16.306 -13.460 1.00 0.00 WT3 H ATOM 46752 H2 TIP3 8478 -4.987 -3.167 6.284 1.00 0.00 WT3 H ATOM 46753 OH2 TIP3 8479 -1.080 -5.193 8.465 1.00 0.00 WT3 O ATOM 46754 H1 TIP3 8479 15.044 -14.895 9.083 1.00 0.00 WT3 H ATOM 46755 H2 TIP3 8479 -12.750 2.363 6.782 1.00 0.00 WT3 H ATOM 46756 OH2 TIP3 8480 3.128 5.654 7.958 1.00 0.00 WT3 O ATOM 46757 H1 TIP3 8480 18.849 16.738 -9.097 1.00 0.00 WT3 H ATOM 46758 H2 TIP3 8480 16.079 12.715 1.870 1.00 0.00 WT3 H ATOM 46759 OH2 TIP3 8481 3.157 2.334 -3.864 1.00 0.00 WT3 O ATOM 46760 H1 TIP3 8481 4.830 12.567 -16.146 1.00 0.00 WT3 H ATOM 46761 H2 TIP3 8481 -9.348 -4.321 12.291 1.00 0.00 WT3 H ATOM 46762 OH2 TIP3 8482 2.529 -3.872 -0.749 1.00 0.00 WT3 O ATOM 46763 H1 TIP3 8482 -6.355 -7.940 -12.553 1.00 0.00 WT3 H ATOM 46764 H2 TIP3 8482 0.311 -15.279 10.113 1.00 0.00 WT3 H ATOM 46765 OH2 TIP3 8483 1.914 0.663 -2.435 1.00 0.00 WT3 O ATOM 46766 H1 TIP3 8483 -10.302 -7.114 -6.818 1.00 0.00 WT3 H ATOM 46767 H2 TIP3 8483 34.465 -9.461 18.961 1.00 0.00 WT3 H ATOM 46768 OH2 TIP3 8484 -7.067 2.426 -1.682 1.00 0.00 WT3 O ATOM 46769 H1 TIP3 8484 -21.513 16.045 -12.488 1.00 0.00 WT3 H ATOM 46770 H2 TIP3 8484 -19.850 10.342 1.907 1.00 0.00 WT3 H ATOM 46771 OH2 TIP3 8485 -3.603 0.557 -0.048 1.00 0.00 WT3 O ATOM 46772 H1 TIP3 8485 -0.141 1.873 5.920 1.00 0.00 WT3 H ATOM 46773 H2 TIP3 8485 -4.160 -0.016 -2.419 1.00 0.00 WT3 H ATOM 46774 OH2 TIP3 8486 -0.646 1.544 0.390 1.00 0.00 WT3 O ATOM 46775 H1 TIP3 8486 -3.173 -8.972 -5.999 1.00 0.00 WT3 H ATOM 46776 H2 TIP3 8486 0.889 10.043 -5.954 1.00 0.00 WT3 H ATOM 46777 OH2 TIP3 8487 5.182 9.954 -1.094 1.00 0.00 WT3 O ATOM 46778 H1 TIP3 8487 -21.935 -3.055 -7.163 1.00 0.00 WT3 H ATOM 46779 H2 TIP3 8487 -1.987 6.449 -2.852 1.00 0.00 WT3 H ATOM 46780 OH2 TIP3 8489 -0.642 1.762 -1.424 1.00 0.00 WT3 O ATOM 46781 H1 TIP3 8489 19.763 -26.135 1.275 1.00 0.00 WT3 H ATOM 46782 H2 TIP3 8489 5.046 -3.089 -0.093 1.00 0.00 WT3 H ATOM 46783 OH2 TIP3 8490 2.149 1.013 0.976 1.00 0.00 WT3 O ATOM 46784 H1 TIP3 8490 -12.725 26.716 -5.862 1.00 0.00 WT3 H ATOM 46785 H2 TIP3 8490 -6.353 2.176 14.302 1.00 0.00 WT3 H ATOM 46786 OH2 TIP3 8491 5.254 -3.215 1.908 1.00 0.00 WT3 O ATOM 46787 H1 TIP3 8491 3.826 -12.951 3.867 1.00 0.00 WT3 H ATOM 46788 H2 TIP3 8491 -42.190 -3.209 16.817 1.00 0.00 WT3 H ATOM 46789 OH2 TIP3 8492 -3.953 1.795 -1.878 1.00 0.00 WT3 O ATOM 46790 H1 TIP3 8492 -1.917 23.760 -1.296 1.00 0.00 WT3 H ATOM 46791 H2 TIP3 8492 -11.601 13.334 20.882 1.00 0.00 WT3 H ATOM 46792 OH2 TIP3 8494 1.207 -5.144 -3.906 1.00 0.00 WT3 O ATOM 46793 H1 TIP3 8494 4.435 -8.162 -7.390 1.00 0.00 WT3 H ATOM 46794 H2 TIP3 8494 1.879 -5.664 -5.209 1.00 0.00 WT3 H ATOM 46795 OH2 TIP3 8495 -3.966 3.529 -1.129 1.00 0.00 WT3 O ATOM 46796 H1 TIP3 8495 5.992 16.182 -1.144 1.00 0.00 WT3 H ATOM 46797 H2 TIP3 8495 5.483 15.669 -1.241 1.00 0.00 WT3 H ATOM 46798 OH2 TIP3 8496 -3.696 0.753 -1.151 1.00 0.00 WT3 O ATOM 46799 H1 TIP3 8496 12.936 -3.697 16.922 1.00 0.00 WT3 H ATOM 46800 H2 TIP3 8496 -9.261 0.877 -6.061 1.00 0.00 WT3 H ATOM 46801 OH2 TIP3 8497 -4.265 -7.325 0.809 1.00 0.00 WT3 O ATOM 46802 H1 TIP3 8497 -7.682 -6.946 2.639 1.00 0.00 WT3 H ATOM 46803 H2 TIP3 8497 -3.608 -5.307 8.065 1.00 0.00 WT3 H ATOM 46804 OH2 TIP3 8498 3.906 -0.440 -3.884 1.00 0.00 WT3 O ATOM 46805 H1 TIP3 8498 -15.165 -4.474 -6.863 1.00 0.00 WT3 H ATOM 46806 H2 TIP3 8498 5.919 6.646 0.262 1.00 0.00 WT3 H ATOM 46807 OH2 TIP3 8499 3.902 -6.351 0.556 1.00 0.00 WT3 O ATOM 46808 H1 TIP3 8499 8.468 -13.900 -5.126 1.00 0.00 WT3 H ATOM 46809 H2 TIP3 8499 26.680 -8.677 30.097 1.00 0.00 WT3 H ATOM 46810 OH2 TIP3 8501 8.814 8.527 2.358 1.00 0.00 WT3 O ATOM 46811 H1 TIP3 8501 0.840 18.111 6.082 1.00 0.00 WT3 H ATOM 46812 H2 TIP3 8501 -4.022 16.594 2.153 1.00 0.00 WT3 H ATOM 46813 OH2 TIP3 8502 5.946 6.433 3.791 1.00 0.00 WT3 O ATOM 46814 H1 TIP3 8502 -0.714 -6.440 -1.353 1.00 0.00 WT3 H ATOM 46815 H2 TIP3 8502 0.358 2.335 3.957 1.00 0.00 WT3 H ATOM 46816 OH2 TIP3 8503 -1.661 2.123 0.019 1.00 0.00 WT3 O ATOM 46817 H1 TIP3 8503 -5.311 6.547 2.900 1.00 0.00 WT3 H ATOM 46818 H2 TIP3 8503 6.170 8.918 -5.940 1.00 0.00 WT3 H ATOM 46819 OH2 TIP3 8505 -8.129 -1.944 -4.803 1.00 0.00 WT3 O ATOM 46820 H1 TIP3 8505 3.066 -1.550 -4.389 1.00 0.00 WT3 H ATOM 46821 H2 TIP3 8505 -4.234 -0.634 -2.691 1.00 0.00 WT3 H ATOM 46822 OH2 TIP3 8507 -6.207 -3.580 5.165 1.00 0.00 WT3 O ATOM 46823 H1 TIP3 8507 -2.454 -0.660 2.988 1.00 0.00 WT3 H ATOM 46824 H2 TIP3 8507 0.892 3.546 -2.901 1.00 0.00 WT3 H ATOM 46825 OH2 TIP3 8508 2.381 -8.863 -0.267 1.00 0.00 WT3 O ATOM 46826 H1 TIP3 8508 7.790 -3.532 1.326 1.00 0.00 WT3 H ATOM 46827 H2 TIP3 8508 2.178 -3.027 2.408 1.00 0.00 WT3 H ATOM 46828 OH2 TIP3 8509 -1.132 7.024 5.591 1.00 0.00 WT3 O ATOM 46829 H1 TIP3 8509 0.020 10.824 1.926 1.00 0.00 WT3 H ATOM 46830 H2 TIP3 8509 -5.970 20.243 -26.756 1.00 0.00 WT3 H ATOM 46831 OH2 TIP3 8510 -7.797 -4.066 6.205 1.00 0.00 WT3 O ATOM 46832 H1 TIP3 8510 0.182 17.618 -15.993 1.00 0.00 WT3 H ATOM 46833 H2 TIP3 8510 -10.927 12.218 -9.967 1.00 0.00 WT3 H ATOM 46834 OH2 TIP3 8512 -1.488 0.902 4.901 1.00 0.00 WT3 O ATOM 46835 H1 TIP3 8512 27.022 -9.765 -0.344 1.00 0.00 WT3 H ATOM 46836 H2 TIP3 8512 -1.830 2.143 7.620 1.00 0.00 WT3 H ATOM 46837 OH2 TIP3 8513 -5.581 -4.312 -4.845 1.00 0.00 WT3 O ATOM 46838 H1 TIP3 8513 -5.676 -1.487 -15.646 1.00 0.00 WT3 H ATOM 46839 H2 TIP3 8513 -8.372 -8.110 -3.355 1.00 0.00 WT3 H ATOM 46840 OH2 TIP3 8514 -10.472 -8.096 0.973 1.00 0.00 WT3 O ATOM 46841 H1 TIP3 8514 -39.729 17.022 -8.200 1.00 0.00 WT3 H ATOM 46842 H2 TIP3 8514 27.675 22.102 3.066 1.00 0.00 WT3 H ATOM 46843 OH2 TIP3 8515 -1.166 0.930 4.618 1.00 0.00 WT3 O ATOM 46844 H1 TIP3 8515 4.737 -14.114 -12.084 1.00 0.00 WT3 H ATOM 46845 H2 TIP3 8515 10.480 6.449 13.913 1.00 0.00 WT3 H ATOM 46846 OH2 TIP3 8516 2.363 -5.584 6.389 1.00 0.00 WT3 O ATOM 46847 H1 TIP3 8516 9.316 -16.633 9.610 1.00 0.00 WT3 H ATOM 46848 H2 TIP3 8516 -4.966 -0.884 13.420 1.00 0.00 WT3 H ATOM 46849 OH2 TIP3 8517 -1.133 -0.811 4.485 1.00 0.00 WT3 O ATOM 46850 H1 TIP3 8517 -7.354 -16.522 2.680 1.00 0.00 WT3 H ATOM 46851 H2 TIP3 8517 -3.459 -1.543 -7.822 1.00 0.00 WT3 H ATOM 46852 OH2 TIP3 8518 3.390 -2.752 3.550 1.00 0.00 WT3 O ATOM 46853 H1 TIP3 8518 -3.962 -10.334 8.292 1.00 0.00 WT3 H ATOM 46854 H2 TIP3 8518 -2.192 4.707 13.538 1.00 0.00 WT3 H ATOM 46855 OH2 TIP3 8519 -3.613 -5.655 3.477 1.00 0.00 WT3 O ATOM 46856 H1 TIP3 8519 -11.439 4.029 7.704 1.00 0.00 WT3 H ATOM 46857 H2 TIP3 8519 -8.628 11.060 5.105 1.00 0.00 WT3 H ATOM 46858 OH2 TIP3 8520 6.567 5.089 -1.913 1.00 0.00 WT3 O ATOM 46859 H1 TIP3 8520 -3.240 14.586 3.101 1.00 0.00 WT3 H ATOM 46860 H2 TIP3 8520 -8.997 13.945 0.351 1.00 0.00 WT3 H ATOM 46861 OH2 TIP3 8521 0.493 -2.005 8.328 1.00 0.00 WT3 O ATOM 46862 H1 TIP3 8521 -16.823 -1.383 -11.288 1.00 0.00 WT3 H ATOM 46863 H2 TIP3 8521 -7.388 0.550 31.191 1.00 0.00 WT3 H ATOM 46864 OH2 TIP3 8522 6.609 9.333 -3.145 1.00 0.00 WT3 O ATOM 46865 H1 TIP3 8522 10.736 13.783 -7.010 1.00 0.00 WT3 H ATOM 46866 H2 TIP3 8522 0.738 19.047 -5.712 1.00 0.00 WT3 H ATOM 46867 OH2 TIP3 8523 -0.097 -1.038 -2.038 1.00 0.00 WT3 O ATOM 46868 H1 TIP3 8523 0.068 -5.480 -3.001 1.00 0.00 WT3 H ATOM 46869 H2 TIP3 8523 -7.841 6.266 -4.255 1.00 0.00 WT3 H ATOM 46870 OH2 TIP3 8524 -1.375 3.226 1.753 1.00 0.00 WT3 O ATOM 46871 H1 TIP3 8524 0.698 17.344 33.878 1.00 0.00 WT3 H ATOM 46872 H2 TIP3 8524 -12.695 12.431 7.462 1.00 0.00 WT3 H ATOM 46873 OH2 TIP3 8525 -3.018 -3.957 6.771 1.00 0.00 WT3 O ATOM 46874 H1 TIP3 8525 -13.392 39.713 -7.665 1.00 0.00 WT3 H ATOM 46875 H2 TIP3 8525 -12.287 -16.044 -45.698 1.00 0.00 WT3 H ATOM 46876 OH2 TIP3 8526 2.620 -5.819 -1.064 1.00 0.00 WT3 O ATOM 46877 H1 TIP3 8526 -1.612 2.610 -15.996 1.00 0.00 WT3 H ATOM 46878 H2 TIP3 8526 -0.620 1.570 -13.403 1.00 0.00 WT3 H ATOM 46879 OH2 TIP3 8527 4.551 -3.028 -2.661 1.00 0.00 WT3 O ATOM 46880 H1 TIP3 8527 6.243 -9.188 -28.395 1.00 0.00 WT3 H ATOM 46881 H2 TIP3 8527 -25.613 -2.601 4.418 1.00 0.00 WT3 H ATOM 46882 OH2 TIP3 8528 -1.290 -1.098 0.252 1.00 0.00 WT3 O ATOM 46883 H1 TIP3 8528 -7.533 10.880 18.580 1.00 0.00 WT3 H ATOM 46884 H2 TIP3 8528 20.872 6.028 -3.913 1.00 0.00 WT3 H ATOM 46885 OH2 TIP3 8529 -2.506 3.929 -0.830 1.00 0.00 WT3 O ATOM 46886 H1 TIP3 8529 -4.324 -0.262 -9.326 1.00 0.00 WT3 H ATOM 46887 H2 TIP3 8529 9.917 7.145 17.205 1.00 0.00 WT3 H ATOM 46888 OH2 TIP3 8530 4.987 1.112 5.075 1.00 0.00 WT3 O ATOM 46889 H1 TIP3 8530 -3.248 -6.229 4.199 1.00 0.00 WT3 H ATOM 46890 H2 TIP3 8530 -1.673 29.962 -2.238 1.00 0.00 WT3 H ATOM 46891 OH2 TIP3 8531 1.618 0.578 -1.276 1.00 0.00 WT3 O ATOM 46892 H1 TIP3 8531 -2.161 -0.988 3.341 1.00 0.00 WT3 H ATOM 46893 H2 TIP3 8531 -2.651 -1.190 3.844 1.00 0.00 WT3 H ATOM 46894 OH2 TIP3 8532 0.105 -0.539 9.105 1.00 0.00 WT3 O ATOM 46895 H1 TIP3 8532 -12.169 32.924 20.315 1.00 0.00 WT3 H ATOM 46896 H2 TIP3 8532 -0.785 -27.866 6.224 1.00 0.00 WT3 H ATOM 46897 OH2 TIP3 8534 -9.536 -0.973 0.914 1.00 0.00 WT3 O ATOM 46898 H1 TIP3 8534 3.086 -4.245 -8.891 1.00 0.00 WT3 H ATOM 46899 H2 TIP3 8534 -25.596 9.401 -13.423 1.00 0.00 WT3 H ATOM 46900 OH2 TIP3 8535 -2.558 1.180 0.078 1.00 0.00 WT3 O ATOM 46901 H1 TIP3 8535 6.927 -9.718 -14.989 1.00 0.00 WT3 H ATOM 46902 H2 TIP3 8535 -16.201 0.733 20.330 1.00 0.00 WT3 H ATOM 46903 OH2 TIP3 8536 -0.360 0.908 -9.990 1.00 0.00 WT3 O ATOM 46904 H1 TIP3 8536 16.002 -8.552 1.836 1.00 0.00 WT3 H ATOM 46905 H2 TIP3 8536 -4.030 19.784 0.070 1.00 0.00 WT3 H ATOM 46906 OH2 TIP3 8538 -4.148 3.613 -1.475 1.00 0.00 WT3 O ATOM 46907 H1 TIP3 8538 -0.445 -5.942 4.612 1.00 0.00 WT3 H ATOM 46908 H2 TIP3 8538 21.210 -17.655 6.135 1.00 0.00 WT3 H ATOM 46909 OH2 TIP3 8539 -7.830 0.078 0.525 1.00 0.00 WT3 O ATOM 46910 H1 TIP3 8539 -15.995 1.983 -4.256 1.00 0.00 WT3 H ATOM 46911 H2 TIP3 8539 11.888 -10.157 -14.265 1.00 0.00 WT3 H ATOM 46912 OH2 TIP3 8541 1.732 -1.195 -3.543 1.00 0.00 WT3 O ATOM 46913 H1 TIP3 8541 2.226 -7.137 15.921 1.00 0.00 WT3 H ATOM 46914 H2 TIP3 8541 3.446 7.395 -35.353 1.00 0.00 WT3 H ATOM 46915 OH2 TIP3 8542 -1.842 2.066 -0.950 1.00 0.00 WT3 O ATOM 46916 H1 TIP3 8542 -5.402 -8.104 4.828 1.00 0.00 WT3 H ATOM 46917 H2 TIP3 8542 -10.499 -14.448 -1.830 1.00 0.00 WT3 H ATOM 46918 OH2 TIP3 8543 0.444 0.168 4.441 1.00 0.00 WT3 O ATOM 46919 H1 TIP3 8543 13.885 11.968 0.619 1.00 0.00 WT3 H ATOM 46920 H2 TIP3 8543 0.889 -3.242 8.856 1.00 0.00 WT3 H ATOM 46921 OH2 TIP3 8544 0.326 0.156 9.204 1.00 0.00 WT3 O ATOM 46922 H1 TIP3 8544 2.970 5.849 16.532 1.00 0.00 WT3 H ATOM 46923 H2 TIP3 8544 1.510 14.566 -0.569 1.00 0.00 WT3 H ATOM 46924 OH2 TIP3 8545 1.522 -3.627 4.283 1.00 0.00 WT3 O ATOM 46925 H1 TIP3 8545 10.749 5.910 -5.323 1.00 0.00 WT3 H ATOM 46926 H2 TIP3 8545 19.341 2.359 -15.478 1.00 0.00 WT3 H ATOM 46927 OH2 TIP3 8546 -4.285 4.179 5.504 1.00 0.00 WT3 O ATOM 46928 H1 TIP3 8546 -4.040 1.611 9.136 1.00 0.00 WT3 H ATOM 46929 H2 TIP3 8546 -18.618 -5.720 -16.369 1.00 0.00 WT3 H ATOM 46930 OH2 TIP3 8547 5.112 5.532 -2.032 1.00 0.00 WT3 O ATOM 46931 H1 TIP3 8547 40.788 -2.362 6.846 1.00 0.00 WT3 H ATOM 46932 H2 TIP3 8547 8.289 -7.217 -15.923 1.00 0.00 WT3 H ATOM 46933 OH2 TIP3 8548 -2.006 9.911 -1.932 1.00 0.00 WT3 O ATOM 46934 H1 TIP3 8548 -2.476 25.572 0.646 1.00 0.00 WT3 H ATOM 46935 H2 TIP3 8548 1.174 21.700 14.540 1.00 0.00 WT3 H ATOM 46936 OH2 TIP3 8549 3.855 -1.162 0.729 1.00 0.00 WT3 O ATOM 46937 H1 TIP3 8549 -7.536 -5.537 -4.141 1.00 0.00 WT3 H ATOM 46938 H2 TIP3 8549 -0.653 7.231 -15.748 1.00 0.00 WT3 H ATOM 46939 OH2 TIP3 8550 -3.785 -3.095 -2.136 1.00 0.00 WT3 O ATOM 46940 H1 TIP3 8550 -1.458 1.360 -5.823 1.00 0.00 WT3 H ATOM 46941 H2 TIP3 8550 6.581 -20.094 6.913 1.00 0.00 WT3 H ATOM 46942 OH2 TIP3 8552 0.586 -3.286 7.103 1.00 0.00 WT3 O ATOM 46943 H1 TIP3 8552 4.735 -8.933 2.891 1.00 0.00 WT3 H ATOM 46944 H2 TIP3 8552 8.505 -11.694 10.075 1.00 0.00 WT3 H ATOM 46945 OH2 TIP3 8554 3.491 2.385 -3.652 1.00 0.00 WT3 O ATOM 46946 H1 TIP3 8554 12.827 4.349 -4.108 1.00 0.00 WT3 H ATOM 46947 H2 TIP3 8554 -21.906 5.802 9.452 1.00 0.00 WT3 H ATOM 46948 OH2 TIP3 8555 -0.355 -2.435 -4.093 1.00 0.00 WT3 O ATOM 46949 H1 TIP3 8555 7.630 -20.469 -9.138 1.00 0.00 WT3 H ATOM 46950 H2 TIP3 8555 3.239 0.335 -3.836 1.00 0.00 WT3 H ATOM 46951 OH2 TIP3 8556 6.755 3.144 3.645 1.00 0.00 WT3 O ATOM 46952 H1 TIP3 8556 3.343 11.235 12.264 1.00 0.00 WT3 H ATOM 46953 H2 TIP3 8556 5.111 -1.795 9.519 1.00 0.00 WT3 H ATOM 46954 OH2 TIP3 8557 -1.197 0.241 1.243 1.00 0.00 WT3 O ATOM 46955 H1 TIP3 8557 10.810 13.540 -19.641 1.00 0.00 WT3 H ATOM 46956 H2 TIP3 8557 -5.941 -4.368 25.201 1.00 0.00 WT3 H ATOM 46957 OH2 TIP3 8558 -6.288 -2.225 1.742 1.00 0.00 WT3 O ATOM 46958 H1 TIP3 8558 -33.791 8.981 16.746 1.00 0.00 WT3 H ATOM 46959 H2 TIP3 8558 3.025 2.699 4.614 1.00 0.00 WT3 H ATOM 46960 OH2 TIP3 8560 -5.603 1.667 -6.848 1.00 0.00 WT3 O ATOM 46961 H1 TIP3 8560 -5.133 5.062 13.433 1.00 0.00 WT3 H ATOM 46962 H2 TIP3 8560 2.618 6.850 -19.453 1.00 0.00 WT3 H ATOM 46963 OH2 TIP3 8561 -0.051 -6.176 2.004 1.00 0.00 WT3 O ATOM 46964 H1 TIP3 8561 0.647 -1.205 -14.866 1.00 0.00 WT3 H ATOM 46965 H2 TIP3 8561 -2.200 -4.440 -3.265 1.00 0.00 WT3 H ATOM 46966 OH2 TIP3 8562 1.636 4.655 -1.344 1.00 0.00 WT3 O ATOM 46967 H1 TIP3 8562 -2.862 -2.355 -8.352 1.00 0.00 WT3 H ATOM 46968 H2 TIP3 8562 -2.499 -6.267 -3.996 1.00 0.00 WT3 H ATOM 46969 OH2 TIP3 8564 -5.346 0.163 -2.795 1.00 0.00 WT3 O ATOM 46970 H1 TIP3 8564 6.242 0.459 3.408 1.00 0.00 WT3 H ATOM 46971 H2 TIP3 8564 -8.859 -5.300 2.243 1.00 0.00 WT3 H ATOM 46972 OH2 TIP3 8565 1.918 -2.529 2.470 1.00 0.00 WT3 O ATOM 46973 H1 TIP3 8565 12.547 -16.382 -0.026 1.00 0.00 WT3 H ATOM 46974 H2 TIP3 8565 -12.360 -12.652 4.892 1.00 0.00 WT3 H ATOM 46975 OH2 TIP3 8566 4.534 -1.681 0.264 1.00 0.00 WT3 O ATOM 46976 H1 TIP3 8566 6.974 2.914 0.754 1.00 0.00 WT3 H ATOM 46977 H2 TIP3 8566 -5.498 -18.976 -7.688 1.00 0.00 WT3 H ATOM 46978 OH2 TIP3 8567 1.201 -2.063 -3.118 1.00 0.00 WT3 O ATOM 46979 H1 TIP3 8567 37.222 -6.775 -9.208 1.00 0.00 WT3 H ATOM 46980 H2 TIP3 8567 -4.696 13.791 7.402 1.00 0.00 WT3 H ATOM 46981 OH2 TIP3 8571 -3.564 9.204 2.068 1.00 0.00 WT3 O ATOM 46982 H1 TIP3 8571 -6.717 -7.255 8.555 1.00 0.00 WT3 H ATOM 46983 H2 TIP3 8571 -2.729 10.085 -5.317 1.00 0.00 WT3 H ATOM 46984 OH2 TIP3 8573 -6.032 -0.087 6.241 1.00 0.00 WT3 O ATOM 46985 H1 TIP3 8573 -13.463 -8.900 -4.227 1.00 0.00 WT3 H ATOM 46986 H2 TIP3 8573 -1.658 -3.589 20.551 1.00 0.00 WT3 H ATOM 46987 OH2 TIP3 8574 -1.962 -1.911 -2.481 1.00 0.00 WT3 O ATOM 46988 H1 TIP3 8574 -3.533 -1.003 2.099 1.00 0.00 WT3 H ATOM 46989 H2 TIP3 8574 -0.866 -14.540 10.647 1.00 0.00 WT3 H ATOM 46990 OH2 TIP3 8577 -0.015 1.135 4.338 1.00 0.00 WT3 O ATOM 46991 H1 TIP3 8577 -9.060 -21.209 8.688 1.00 0.00 WT3 H ATOM 46992 H2 TIP3 8577 7.199 0.618 -6.463 1.00 0.00 WT3 H ATOM 46993 OH2 TIP3 8579 3.042 -0.025 1.337 1.00 0.00 WT3 O ATOM 46994 H1 TIP3 8579 23.511 -12.377 0.949 1.00 0.00 WT3 H ATOM 46995 H2 TIP3 8579 0.468 10.316 18.067 1.00 0.00 WT3 H ATOM 46996 OH2 TIP3 8581 -3.088 -3.089 5.789 1.00 0.00 WT3 O ATOM 46997 H1 TIP3 8581 9.407 -6.926 6.289 1.00 0.00 WT3 H ATOM 46998 H2 TIP3 8581 -3.298 -8.848 -28.080 1.00 0.00 WT3 H ATOM 46999 OH2 TIP3 8582 3.750 3.000 -0.769 1.00 0.00 WT3 O ATOM 47000 H1 TIP3 8582 -27.580 -6.155 -20.696 1.00 0.00 WT3 H ATOM 47001 H2 TIP3 8582 7.524 7.856 -0.180 1.00 0.00 WT3 H ATOM 47002 OH2 TIP3 8583 -0.834 0.936 -1.218 1.00 0.00 WT3 O ATOM 47003 H1 TIP3 8583 -40.345 -9.342 -2.430 1.00 0.00 WT3 H ATOM 47004 H2 TIP3 8583 20.767 -33.571 7.468 1.00 0.00 WT3 H ATOM 47005 OH2 TIP3 8584 5.362 -0.267 -0.494 1.00 0.00 WT3 O ATOM 47006 H1 TIP3 8584 2.435 -4.907 10.215 1.00 0.00 WT3 H ATOM 47007 H2 TIP3 8584 -14.907 -14.034 -25.835 1.00 0.00 WT3 H ATOM 47008 OH2 TIP3 8585 4.128 1.949 0.994 1.00 0.00 WT3 O ATOM 47009 H1 TIP3 8585 -6.291 15.692 6.208 1.00 0.00 WT3 H ATOM 47010 H2 TIP3 8585 0.866 -8.464 18.965 1.00 0.00 WT3 H ATOM 47011 OH2 TIP3 8590 1.414 -4.132 2.990 1.00 0.00 WT3 O ATOM 47012 H1 TIP3 8590 -7.542 17.530 5.740 1.00 0.00 WT3 H ATOM 47013 H2 TIP3 8590 -1.465 -4.604 -13.395 1.00 0.00 WT3 H ATOM 47014 OH2 TIP3 8591 -7.606 -2.641 -1.584 1.00 0.00 WT3 O ATOM 47015 H1 TIP3 8591 -0.283 -5.828 -7.924 1.00 0.00 WT3 H ATOM 47016 H2 TIP3 8591 -13.974 24.009 -1.530 1.00 0.00 WT3 H ATOM 47017 OH2 TIP3 8594 -2.154 6.446 5.284 1.00 0.00 WT3 O ATOM 47018 H1 TIP3 8594 0.761 -6.821 -18.028 1.00 0.00 WT3 H ATOM 47019 H2 TIP3 8594 7.803 -7.722 -17.568 1.00 0.00 WT3 H ATOM 47020 OH2 TIP3 8598 -6.979 -10.318 0.393 1.00 0.00 WT3 O ATOM 47021 H1 TIP3 8598 5.542 -26.518 15.548 1.00 0.00 WT3 H ATOM 47022 H2 TIP3 8598 -24.032 3.202 -15.480 1.00 0.00 WT3 H ATOM 47023 OH2 TIP3 8600 1.551 -3.043 -0.066 1.00 0.00 WT3 O ATOM 47024 H1 TIP3 8600 -5.387 -16.588 3.075 1.00 0.00 WT3 H ATOM 47025 H2 TIP3 8600 4.706 -0.911 24.888 1.00 0.00 WT3 H ATOM 47026 OH2 TIP3 8602 -1.173 -1.476 4.649 1.00 0.00 WT3 O ATOM 47027 H1 TIP3 8602 -11.994 17.496 9.902 1.00 0.00 WT3 H ATOM 47028 H2 TIP3 8602 15.547 9.675 16.783 1.00 0.00 WT3 H ATOM 47029 OH2 TIP3 8605 -2.443 -2.356 -1.233 1.00 0.00 WT3 O ATOM 47030 H1 TIP3 8605 2.713 -13.862 -15.838 1.00 0.00 WT3 H ATOM 47031 H2 TIP3 8605 0.127 1.999 18.830 1.00 0.00 WT3 H ATOM 47032 OH2 TIP3 8614 6.801 -0.658 0.209 1.00 0.00 WT3 O ATOM 47033 H1 TIP3 8614 4.225 3.741 -7.657 1.00 0.00 WT3 H ATOM 47034 H2 TIP3 8614 2.997 -6.253 -7.463 1.00 0.00 WT3 H ATOM 47035 OH2 TIP3 8615 0.966 -6.655 -0.549 1.00 0.00 WT3 O ATOM 47036 H1 TIP3 8615 0.748 21.350 -3.587 1.00 0.00 WT3 H ATOM 47037 H2 TIP3 8615 -9.915 -5.670 11.424 1.00 0.00 WT3 H ATOM 47038 OH2 TIP3 8621 -0.622 2.710 2.446 1.00 0.00 WT3 O ATOM 47039 H1 TIP3 8621 -6.004 -13.492 -5.912 1.00 0.00 WT3 H ATOM 47040 H2 TIP3 8621 -16.461 12.782 2.805 1.00 0.00 WT3 H ATOM 47041 OH2 TIP3 8625 2.615 -1.109 -0.751 1.00 0.00 WT3 O ATOM 47042 H1 TIP3 8625 -0.082 9.819 6.886 1.00 0.00 WT3 H ATOM 47043 H2 TIP3 8625 16.085 -5.135 1.562 1.00 0.00 WT3 H ATOM 47044 OH2 TIP3 8627 6.065 0.880 -2.388 1.00 0.00 WT3 O ATOM 47045 H1 TIP3 8627 8.544 9.906 0.348 1.00 0.00 WT3 H ATOM 47046 H2 TIP3 8627 5.576 11.104 1.789 1.00 0.00 WT3 H ATOM 47047 OH2 TIP3 8635 0.924 1.868 2.672 1.00 0.00 WT3 O ATOM 47048 H1 TIP3 8635 -10.565 -2.582 -3.717 1.00 0.00 WT3 H ATOM 47049 H2 TIP3 8635 -3.477 -6.048 -15.437 1.00 0.00 WT3 H ATOM 47050 OH2 TIP3 8637 11.388 1.986 4.336 1.00 0.00 WT3 O ATOM 47051 H1 TIP3 8637 1.362 -4.293 -22.987 1.00 0.00 WT3 H ATOM 47052 H2 TIP3 8637 18.347 -26.274 -2.753 1.00 0.00 WT3 H ATOM 47053 OH2 TIP3 8638 -1.838 5.810 -2.494 1.00 0.00 WT3 O ATOM 47054 H1 TIP3 8638 12.944 -4.263 -1.769 1.00 0.00 WT3 H ATOM 47055 H2 TIP3 8638 20.921 20.700 -17.031 1.00 0.00 WT3 H ATOM 47056 OH2 TIP3 8640 -3.916 7.077 2.659 1.00 0.00 WT3 O ATOM 47057 H1 TIP3 8640 7.783 -21.463 -32.080 1.00 0.00 WT3 H ATOM 47058 H2 TIP3 8640 -5.222 -20.296 -10.152 1.00 0.00 WT3 H ATOM 47059 OH2 TIP3 8645 -3.157 1.732 1.204 1.00 0.00 WT3 O ATOM 47060 H1 TIP3 8645 -8.956 1.430 -0.578 1.00 0.00 WT3 H ATOM 47061 H2 TIP3 8645 -24.993 4.735 -13.791 1.00 0.00 WT3 H ATOM 47062 OH2 TIP3 8647 -7.391 -5.517 -0.322 1.00 0.00 WT3 O ATOM 47063 H1 TIP3 8647 -0.332 -5.707 -0.841 1.00 0.00 WT3 H ATOM 47064 H2 TIP3 8647 -19.752 -4.457 -8.314 1.00 0.00 WT3 H ATOM 47065 OH2 TIP3 8649 -1.083 0.208 0.477 1.00 0.00 WT3 O ATOM 47066 H1 TIP3 8649 3.617 -7.231 2.288 1.00 0.00 WT3 H ATOM 47067 H2 TIP3 8649 15.502 -5.996 15.048 1.00 0.00 WT3 H ATOM 47068 OH2 TIP3 8669 7.430 -0.072 -3.992 1.00 0.00 WT3 O ATOM 47069 H1 TIP3 8669 -16.921 1.840 -15.890 1.00 0.00 WT3 H ATOM 47070 H2 TIP3 8669 9.741 -8.927 0.750 1.00 0.00 WT3 H ATOM 47071 OH2 TIP3 8753 1.625 4.791 6.397 1.00 0.00 WT3 O ATOM 47072 H1 TIP3 8753 4.500 1.337 1.519 1.00 0.00 WT3 H ATOM 47073 H2 TIP3 8753 7.838 2.159 5.945 1.00 0.00 WT3 H ATOM 47074 OH2 TIP3 8760 -2.873 -4.701 -2.178 1.00 0.00 WT3 O ATOM 47075 H1 TIP3 8760 5.546 5.798 7.657 1.00 0.00 WT3 H ATOM 47076 H2 TIP3 8760 6.659 10.622 12.577 1.00 0.00 WT3 H ATOM 47077 OH2 TIP3 8762 0.095 -4.198 3.092 1.00 0.00 WT3 O ATOM 47078 H1 TIP3 8762 9.767 18.827 -28.991 1.00 0.00 WT3 H ATOM 47079 H2 TIP3 8762 -10.183 -10.029 1.201 1.00 0.00 WT3 H ATOM 47080 OH2 TIP3 8777 -3.034 -1.847 -4.454 1.00 0.00 WT3 O ATOM 47081 H1 TIP3 8777 2.265 7.593 8.545 1.00 0.00 WT3 H ATOM 47082 H2 TIP3 8777 4.931 5.387 -8.489 1.00 0.00 WT3 H ATOM 47083 OH2 TIP3 8779 -1.681 0.925 4.232 1.00 0.00 WT3 O ATOM 47084 H1 TIP3 8779 -3.893 16.633 -4.656 1.00 0.00 WT3 H ATOM 47085 H2 TIP3 8779 1.186 10.456 -29.356 1.00 0.00 WT3 H ATOM 47086 OH2 TIP3 8780 0.805 -4.834 0.785 1.00 0.00 WT3 O ATOM 47087 H1 TIP3 8780 8.033 -12.806 -4.615 1.00 0.00 WT3 H ATOM 47088 H2 TIP3 8780 3.023 1.804 -1.974 1.00 0.00 WT3 H ATOM 47089 OH2 TIP3 8782 -2.621 0.269 4.879 1.00 0.00 WT3 O ATOM 47090 H1 TIP3 8782 0.350 10.458 2.267 1.00 0.00 WT3 H ATOM 47091 H2 TIP3 8782 -6.117 -15.646 1.408 1.00 0.00 WT3 H ATOM 47092 OH2 TIP3 8790 -1.388 -9.047 3.615 1.00 0.00 WT3 O ATOM 47093 H1 TIP3 8790 8.749 22.041 22.053 1.00 0.00 WT3 H ATOM 47094 H2 TIP3 8790 -14.585 6.074 -1.139 1.00 0.00 WT3 H ATOM 47095 OH2 TIP3 8792 -2.528 -7.968 3.719 1.00 0.00 WT3 O ATOM 47096 H1 TIP3 8792 4.908 -17.070 5.624 1.00 0.00 WT3 H ATOM 47097 H2 TIP3 8792 -3.767 -5.361 2.494 1.00 0.00 WT3 H ATOM 47098 OH2 TIP3 8794 -3.042 3.466 4.635 1.00 0.00 WT3 O ATOM 47099 H1 TIP3 8794 1.150 2.597 -7.345 1.00 0.00 WT3 H ATOM 47100 H2 TIP3 8794 -8.897 2.760 -4.484 1.00 0.00 WT3 H ATOM 47101 OH2 TIP3 8799 0.418 -4.696 4.446 1.00 0.00 WT3 O ATOM 47102 H1 TIP3 8799 -8.213 -8.125 24.079 1.00 0.00 WT3 H ATOM 47103 H2 TIP3 8799 -8.249 -15.316 3.564 1.00 0.00 WT3 H ATOM 47104 OH2 TIP3 8801 0.869 -3.899 -0.680 1.00 0.00 WT3 O ATOM 47105 H1 TIP3 8801 -5.744 6.474 11.407 1.00 0.00 WT3 H ATOM 47106 H2 TIP3 8801 13.943 -0.846 25.323 1.00 0.00 WT3 H ATOM 47107 OH2 TIP3 8802 -1.044 -0.543 -0.558 1.00 0.00 WT3 O ATOM 47108 H1 TIP3 8802 -15.225 11.262 -2.364 1.00 0.00 WT3 H ATOM 47109 H2 TIP3 8802 -7.681 -17.248 -5.042 1.00 0.00 WT3 H ATOM 47110 OH2 TIP3 8803 3.225 3.450 3.818 1.00 0.00 WT3 O ATOM 47111 H1 TIP3 8803 -12.045 10.363 0.561 1.00 0.00 WT3 H ATOM 47112 H2 TIP3 8803 -20.873 -0.359 18.150 1.00 0.00 WT3 H ATOM 47113 OH2 TIP3 8807 -1.203 1.529 2.307 1.00 0.00 WT3 O ATOM 47114 H1 TIP3 8807 -6.422 2.051 13.114 1.00 0.00 WT3 H ATOM 47115 H2 TIP3 8807 1.374 7.857 5.727 1.00 0.00 WT3 H ATOM 47116 OH2 TIP3 8813 0.059 1.026 9.016 1.00 0.00 WT3 O ATOM 47117 H1 TIP3 8813 7.292 1.669 -1.813 1.00 0.00 WT3 H ATOM 47118 H2 TIP3 8813 -10.145 -12.019 7.711 1.00 0.00 WT3 H ATOM 47119 OH2 TIP3 8816 2.191 4.089 1.747 1.00 0.00 WT3 O ATOM 47120 H1 TIP3 8816 -11.679 4.402 12.041 1.00 0.00 WT3 H ATOM 47121 H2 TIP3 8816 5.181 -1.338 -5.562 1.00 0.00 WT3 H ATOM 47122 OH2 TIP3 8820 -2.170 -0.533 0.511 1.00 0.00 WT3 O ATOM 47123 H1 TIP3 8820 0.730 7.828 1.233 1.00 0.00 WT3 H ATOM 47124 H2 TIP3 8820 -11.889 1.250 0.498 1.00 0.00 WT3 H ATOM 47125 OH2 TIP3 8822 -2.070 0.339 4.320 1.00 0.00 WT3 O ATOM 47126 H1 TIP3 8822 13.422 -1.181 23.846 1.00 0.00 WT3 H ATOM 47127 H2 TIP3 8822 -4.904 23.787 -3.198 1.00 0.00 WT3 H ATOM 47128 OH2 TIP3 8823 -3.884 0.747 -2.457 1.00 0.00 WT3 O ATOM 47129 H1 TIP3 8823 -6.546 8.568 -9.949 1.00 0.00 WT3 H ATOM 47130 H2 TIP3 8823 2.708 -1.658 5.232 1.00 0.00 WT3 H ATOM 47131 OH2 TIP3 8824 -0.403 1.609 -0.442 1.00 0.00 WT3 O ATOM 47132 H1 TIP3 8824 4.974 -6.250 -17.881 1.00 0.00 WT3 H ATOM 47133 H2 TIP3 8824 -18.572 -6.960 -0.477 1.00 0.00 WT3 H ATOM 47134 OH2 TIP3 8829 0.307 -3.893 4.026 1.00 0.00 WT3 O ATOM 47135 H1 TIP3 8829 -19.456 5.937 4.818 1.00 0.00 WT3 H ATOM 47136 H2 TIP3 8829 2.085 -15.229 -3.841 1.00 0.00 WT3 H ATOM 47137 OH2 TIP3 8830 3.146 -1.763 -2.799 1.00 0.00 WT3 O ATOM 47138 H1 TIP3 8830 11.072 -0.165 5.984 1.00 0.00 WT3 H ATOM 47139 H2 TIP3 8830 -6.031 -10.454 -7.346 1.00 0.00 WT3 H ATOM 47140 OH2 TIP3 8831 -0.458 4.743 -2.240 1.00 0.00 WT3 O ATOM 47141 H1 TIP3 8831 -11.292 -10.477 -19.762 1.00 0.00 WT3 H ATOM 47142 H2 TIP3 8831 -27.222 -10.420 1.005 1.00 0.00 WT3 H ATOM 47143 OH2 TIP3 8833 -4.822 -5.885 5.204 1.00 0.00 WT3 O ATOM 47144 H1 TIP3 8833 -15.700 18.896 2.089 1.00 0.00 WT3 H ATOM 47145 H2 TIP3 8833 -19.084 -7.379 4.449 1.00 0.00 WT3 H ATOM 47146 OH2 TIP3 8836 -2.318 5.558 -1.714 1.00 0.00 WT3 O ATOM 47147 H1 TIP3 8836 -3.121 -16.456 6.676 1.00 0.00 WT3 H ATOM 47148 H2 TIP3 8836 8.300 14.110 19.199 1.00 0.00 WT3 H ATOM 47149 OH2 TIP3 8837 1.574 1.831 5.857 1.00 0.00 WT3 O ATOM 47150 H1 TIP3 8837 12.036 8.510 11.489 1.00 0.00 WT3 H ATOM 47151 H2 TIP3 8837 0.548 -4.510 15.828 1.00 0.00 WT3 H ATOM 47152 OH2 TIP3 8838 5.101 0.412 -8.753 1.00 0.00 WT3 O ATOM 47153 H1 TIP3 8838 1.623 -7.114 6.410 1.00 0.00 WT3 H ATOM 47154 H2 TIP3 8838 8.305 -0.184 -21.553 1.00 0.00 WT3 H ATOM 47155 OH2 TIP3 8840 -2.494 -7.337 -1.002 1.00 0.00 WT3 O ATOM 47156 H1 TIP3 8840 -2.945 5.618 5.684 1.00 0.00 WT3 H ATOM 47157 H2 TIP3 8840 -10.027 -5.552 -16.407 1.00 0.00 WT3 H ATOM 47158 OH2 TIP3 8842 4.432 -4.246 -3.854 1.00 0.00 WT3 O ATOM 47159 H1 TIP3 8842 -5.336 5.591 7.992 1.00 0.00 WT3 H ATOM 47160 H2 TIP3 8842 4.254 -2.199 -13.542 1.00 0.00 WT3 H ATOM 47161 OH2 TIP3 8843 2.928 4.517 -2.567 1.00 0.00 WT3 O ATOM 47162 H1 TIP3 8843 -3.655 11.708 -4.202 1.00 0.00 WT3 H ATOM 47163 H2 TIP3 8843 12.863 5.813 -5.722 1.00 0.00 WT3 H ATOM 47164 OH2 TIP3 8844 4.826 -0.646 -1.995 1.00 0.00 WT3 O ATOM 47165 H1 TIP3 8844 8.362 -1.845 -7.518 1.00 0.00 WT3 H ATOM 47166 H2 TIP3 8844 9.008 3.589 -3.079 1.00 0.00 WT3 H ATOM 47167 OH2 TIP3 8845 8.041 -4.265 -2.619 1.00 0.00 WT3 O ATOM 47168 H1 TIP3 8845 -2.511 -2.776 -15.068 1.00 0.00 WT3 H ATOM 47169 H2 TIP3 8845 7.497 8.971 3.822 1.00 0.00 WT3 H ATOM 47170 OH2 TIP3 8846 3.750 -0.315 0.404 1.00 0.00 WT3 O ATOM 47171 H1 TIP3 8846 7.772 -3.948 -2.248 1.00 0.00 WT3 H ATOM 47172 H2 TIP3 8846 -11.079 19.979 10.254 1.00 0.00 WT3 H ATOM 47173 OH2 TIP3 8847 1.043 1.981 -1.818 1.00 0.00 WT3 O ATOM 47174 H1 TIP3 8847 6.416 -7.219 -17.507 1.00 0.00 WT3 H ATOM 47175 H2 TIP3 8847 12.162 6.014 7.903 1.00 0.00 WT3 H ATOM 47176 OH2 TIP3 8848 3.470 0.344 4.347 1.00 0.00 WT3 O ATOM 47177 H1 TIP3 8848 -11.246 -5.461 10.090 1.00 0.00 WT3 H ATOM 47178 H2 TIP3 8848 -4.402 2.591 4.657 1.00 0.00 WT3 H ATOM 47179 OH2 TIP3 8849 -2.796 2.237 2.493 1.00 0.00 WT3 O ATOM 47180 H1 TIP3 8849 -1.862 4.055 -2.744 1.00 0.00 WT3 H ATOM 47181 H2 TIP3 8849 -0.020 -6.114 19.686 1.00 0.00 WT3 H ATOM 47182 OH2 TIP3 8852 -3.384 0.887 -1.848 1.00 0.00 WT3 O ATOM 47183 H1 TIP3 8852 -9.677 0.339 -2.983 1.00 0.00 WT3 H ATOM 47184 H2 TIP3 8852 34.287 13.009 20.328 1.00 0.00 WT3 H ATOM 47185 OH2 TIP3 8855 -5.602 1.572 -2.807 1.00 0.00 WT3 O ATOM 47186 H1 TIP3 8855 11.019 18.828 15.914 1.00 0.00 WT3 H ATOM 47187 H2 TIP3 8855 -14.913 2.754 -8.230 1.00 0.00 WT3 H ATOM 47188 OH2 TIP3 8856 -4.013 -0.900 -2.323 1.00 0.00 WT3 O ATOM 47189 H1 TIP3 8856 -3.082 2.618 -7.073 1.00 0.00 WT3 H ATOM 47190 H2 TIP3 8856 -4.022 0.759 -2.638 1.00 0.00 WT3 H ATOM 47191 OH2 TIP3 8857 2.073 0.354 1.489 1.00 0.00 WT3 O ATOM 47192 H1 TIP3 8857 -1.105 -1.925 2.922 1.00 0.00 WT3 H ATOM 47193 H2 TIP3 8857 16.005 7.124 7.490 1.00 0.00 WT3 H ATOM 47194 OH2 TIP3 8859 0.883 -2.810 -0.208 1.00 0.00 WT3 O ATOM 47195 H1 TIP3 8859 9.604 -2.255 -16.940 1.00 0.00 WT3 H ATOM 47196 H2 TIP3 8859 -9.827 -6.895 -0.228 1.00 0.00 WT3 H ATOM 47197 OH2 TIP3 8861 3.362 -0.537 1.177 1.00 0.00 WT3 O ATOM 47198 H1 TIP3 8861 18.751 -15.236 5.999 1.00 0.00 WT3 H ATOM 47199 H2 TIP3 8861 -2.526 5.300 -0.066 1.00 0.00 WT3 H ATOM 47200 OH2 TIP3 8863 3.723 -1.383 -0.477 1.00 0.00 WT3 O ATOM 47201 H1 TIP3 8863 -0.122 5.916 -17.874 1.00 0.00 WT3 H ATOM 47202 H2 TIP3 8863 7.083 -2.788 7.159 1.00 0.00 WT3 H ATOM 47203 OH2 TIP3 8864 10.242 2.083 -7.324 1.00 0.00 WT3 O ATOM 47204 H1 TIP3 8864 31.730 -0.237 -19.775 1.00 0.00 WT3 H ATOM 47205 H2 TIP3 8864 -6.142 12.175 -2.857 1.00 0.00 WT3 H ATOM 47206 OH2 TIP3 8865 -6.457 -2.064 -3.641 1.00 0.00 WT3 O ATOM 47207 H1 TIP3 8865 0.931 39.593 -20.075 1.00 0.00 WT3 H ATOM 47208 H2 TIP3 8865 4.934 5.750 29.190 1.00 0.00 WT3 H ATOM 47209 OH2 TIP3 8866 10.050 -4.890 -3.418 1.00 0.00 WT3 O ATOM 47210 H1 TIP3 8866 11.779 -3.520 0.350 1.00 0.00 WT3 H ATOM 47211 H2 TIP3 8866 -7.761 -19.539 -14.160 1.00 0.00 WT3 H ATOM 47212 OH2 TIP3 8867 -1.778 3.281 -3.334 1.00 0.00 WT3 O ATOM 47213 H1 TIP3 8867 14.327 0.681 5.854 1.00 0.00 WT3 H ATOM 47214 H2 TIP3 8867 3.234 -10.910 11.290 1.00 0.00 WT3 H ATOM 47215 OH2 TIP3 8869 0.880 -0.171 1.906 1.00 0.00 WT3 O ATOM 47216 H1 TIP3 8869 -5.472 -4.836 -12.216 1.00 0.00 WT3 H ATOM 47217 H2 TIP3 8869 -3.555 -0.330 -3.603 1.00 0.00 WT3 H ATOM 47218 OH2 TIP3 8870 -4.169 1.276 -3.627 1.00 0.00 WT3 O ATOM 47219 H1 TIP3 8870 -8.543 -10.913 -6.950 1.00 0.00 WT3 H ATOM 47220 H2 TIP3 8870 2.603 0.994 8.515 1.00 0.00 WT3 H ATOM 47221 OH2 TIP3 8871 1.867 -0.310 3.501 1.00 0.00 WT3 O ATOM 47222 H1 TIP3 8871 4.345 -3.467 4.704 1.00 0.00 WT3 H ATOM 47223 H2 TIP3 8871 3.920 -1.232 4.647 1.00 0.00 WT3 H ATOM 47224 OH2 TIP3 8878 -5.108 -2.488 3.905 1.00 0.00 WT3 O ATOM 47225 H1 TIP3 8878 -4.877 -13.354 -13.002 1.00 0.00 WT3 H ATOM 47226 H2 TIP3 8878 -9.968 -14.640 6.993 1.00 0.00 WT3 H ATOM 47227 OH2 TIP3 8879 -0.892 1.994 6.121 1.00 0.00 WT3 O ATOM 47228 H1 TIP3 8879 18.926 -6.924 -14.938 1.00 0.00 WT3 H ATOM 47229 H2 TIP3 8879 -14.799 7.822 -1.017 1.00 0.00 WT3 H ATOM 47230 OH2 TIP3 8881 2.121 -7.400 3.174 1.00 0.00 WT3 O ATOM 47231 H1 TIP3 8881 -10.675 0.426 -12.342 1.00 0.00 WT3 H ATOM 47232 H2 TIP3 8881 -12.376 14.851 -16.042 1.00 0.00 WT3 H ATOM 47233 OH2 TIP3 8882 4.011 1.032 -3.188 1.00 0.00 WT3 O ATOM 47234 H1 TIP3 8882 13.474 7.776 -14.363 1.00 0.00 WT3 H ATOM 47235 H2 TIP3 8882 1.578 13.156 8.925 1.00 0.00 WT3 H ATOM 47236 OH2 TIP3 8883 8.816 1.193 7.701 1.00 0.00 WT3 O ATOM 47237 H1 TIP3 8883 12.589 6.776 2.156 1.00 0.00 WT3 H ATOM 47238 H2 TIP3 8883 6.828 -1.231 15.767 1.00 0.00 WT3 H ATOM 47239 OH2 TIP3 8884 -5.411 -3.465 -1.565 1.00 0.00 WT3 O ATOM 47240 H1 TIP3 8884 8.085 18.902 -1.613 1.00 0.00 WT3 H ATOM 47241 H2 TIP3 8884 13.475 8.019 -1.855 1.00 0.00 WT3 H ATOM 47242 OH2 TIP3 8885 5.883 -5.272 3.785 1.00 0.00 WT3 O ATOM 47243 H1 TIP3 8885 13.687 -17.040 -5.592 1.00 0.00 WT3 H ATOM 47244 H2 TIP3 8885 -10.913 6.782 11.278 1.00 0.00 WT3 H ATOM 47245 OH2 TIP3 8886 -0.443 -3.493 2.017 1.00 0.00 WT3 O ATOM 47246 H1 TIP3 8886 0.573 -12.426 16.363 1.00 0.00 WT3 H ATOM 47247 H2 TIP3 8886 -0.083 -16.876 -11.329 1.00 0.00 WT3 H ATOM 47248 OH2 TIP3 8887 -4.378 -2.293 0.966 1.00 0.00 WT3 O ATOM 47249 H1 TIP3 8887 -5.336 -23.686 17.529 1.00 0.00 WT3 H ATOM 47250 H2 TIP3 8887 -28.891 3.512 -12.810 1.00 0.00 WT3 H ATOM 47251 OH2 TIP3 8888 0.220 2.200 -5.119 1.00 0.00 WT3 O ATOM 47252 H1 TIP3 8888 4.383 7.166 -4.825 1.00 0.00 WT3 H ATOM 47253 H2 TIP3 8888 -8.226 5.816 24.747 1.00 0.00 WT3 H ATOM 47254 OH2 TIP3 8893 1.437 6.500 2.435 1.00 0.00 WT3 O ATOM 47255 H1 TIP3 8893 12.897 22.644 9.762 1.00 0.00 WT3 H ATOM 47256 H2 TIP3 8893 -14.341 -3.667 10.422 1.00 0.00 WT3 H ATOM 47257 OH2 TIP3 8894 0.907 -1.156 -5.786 1.00 0.00 WT3 O ATOM 47258 H1 TIP3 8894 -13.996 -1.020 3.832 1.00 0.00 WT3 H ATOM 47259 H2 TIP3 8894 18.336 17.148 -3.241 1.00 0.00 WT3 H ATOM 47260 OH2 TIP3 8895 1.954 0.167 0.409 1.00 0.00 WT3 O ATOM 47261 H1 TIP3 8895 6.460 6.022 6.801 1.00 0.00 WT3 H ATOM 47262 H2 TIP3 8895 7.122 -8.290 0.100 1.00 0.00 WT3 H ATOM 47263 OH2 TIP3 8896 4.964 3.774 -4.116 1.00 0.00 WT3 O ATOM 47264 H1 TIP3 8896 18.950 25.605 11.652 1.00 0.00 WT3 H ATOM 47265 H2 TIP3 8896 16.331 7.111 -7.743 1.00 0.00 WT3 H ATOM 47266 OH2 TIP3 8897 -5.067 3.149 4.550 1.00 0.00 WT3 O ATOM 47267 H1 TIP3 8897 -3.508 -19.818 -3.557 1.00 0.00 WT3 H ATOM 47268 H2 TIP3 8897 -6.182 27.286 13.822 1.00 0.00 WT3 H ATOM 47269 OH2 TIP3 8898 0.412 0.375 -2.508 1.00 0.00 WT3 O ATOM 47270 H1 TIP3 8898 -11.016 11.955 -2.492 1.00 0.00 WT3 H ATOM 47271 H2 TIP3 8898 -5.697 6.120 6.783 1.00 0.00 WT3 H ATOM 47272 OH2 TIP3 8899 6.847 3.301 -1.320 1.00 0.00 WT3 O ATOM 47273 H1 TIP3 8899 7.741 3.142 -4.864 1.00 0.00 WT3 H ATOM 47274 H2 TIP3 8899 3.689 1.490 -14.545 1.00 0.00 WT3 H ATOM 47275 OH2 TIP3 8900 -5.862 1.979 -5.257 1.00 0.00 WT3 O ATOM 47276 H1 TIP3 8900 4.316 16.334 -18.418 1.00 0.00 WT3 H ATOM 47277 H2 TIP3 8900 2.518 -13.948 -0.217 1.00 0.00 WT3 H ATOM 47278 OH2 TIP3 8901 0.386 -7.136 2.529 1.00 0.00 WT3 O ATOM 47279 H1 TIP3 8901 2.479 -12.272 -2.101 1.00 0.00 WT3 H ATOM 47280 H2 TIP3 8901 5.097 -19.347 -7.155 1.00 0.00 WT3 H ATOM 47281 OH2 TIP3 8902 2.657 -3.375 -2.999 1.00 0.00 WT3 O ATOM 47282 H1 TIP3 8902 15.263 8.810 0.965 1.00 0.00 WT3 H ATOM 47283 H2 TIP3 8902 9.763 6.676 -16.865 1.00 0.00 WT3 H ATOM 47284 OH2 TIP3 8903 7.232 1.151 -1.985 1.00 0.00 WT3 O ATOM 47285 H1 TIP3 8903 -3.403 -0.192 5.897 1.00 0.00 WT3 H ATOM 47286 H2 TIP3 8903 -7.171 -28.638 20.321 1.00 0.00 WT3 H ATOM 47287 OH2 TIP3 8904 0.408 -2.974 -3.087 1.00 0.00 WT3 O ATOM 47288 H1 TIP3 8904 1.615 -7.605 -7.716 1.00 0.00 WT3 H ATOM 47289 H2 TIP3 8904 4.703 -10.386 -8.326 1.00 0.00 WT3 H ATOM 47290 OH2 TIP3 8905 -1.443 1.215 -7.037 1.00 0.00 WT3 O ATOM 47291 H1 TIP3 8905 -9.906 8.700 -14.400 1.00 0.00 WT3 H ATOM 47292 H2 TIP3 8905 0.591 6.542 13.697 1.00 0.00 WT3 H ATOM 47293 OH2 TIP3 8907 5.290 -6.310 5.072 1.00 0.00 WT3 O ATOM 47294 H1 TIP3 8907 -8.001 -14.834 -7.179 1.00 0.00 WT3 H ATOM 47295 H2 TIP3 8907 5.191 -0.016 13.223 1.00 0.00 WT3 H ATOM 47296 OH2 TIP3 8910 3.239 3.151 -2.728 1.00 0.00 WT3 O ATOM 47297 H1 TIP3 8910 21.799 -9.166 -14.183 1.00 0.00 WT3 H ATOM 47298 H2 TIP3 8910 -16.787 10.726 1.797 1.00 0.00 WT3 H ATOM 47299 OH2 TIP3 8911 0.802 3.486 -2.989 1.00 0.00 WT3 O ATOM 47300 H1 TIP3 8911 7.778 -0.568 5.969 1.00 0.00 WT3 H ATOM 47301 H2 TIP3 8911 10.780 4.904 -6.769 1.00 0.00 WT3 H ATOM 47302 OH2 TIP3 8912 -2.818 -6.540 1.987 1.00 0.00 WT3 O ATOM 47303 H1 TIP3 8912 31.531 1.714 -1.520 1.00 0.00 WT3 H ATOM 47304 H2 TIP3 8912 11.551 -18.547 -5.452 1.00 0.00 WT3 H ATOM 47305 OH2 TIP3 8913 0.371 7.311 -0.671 1.00 0.00 WT3 O ATOM 47306 H1 TIP3 8913 8.010 -5.666 -3.021 1.00 0.00 WT3 H ATOM 47307 H2 TIP3 8913 13.927 -20.169 -5.186 1.00 0.00 WT3 H ATOM 47308 OH2 TIP3 8914 -3.836 3.509 -4.000 1.00 0.00 WT3 O ATOM 47309 H1 TIP3 8914 -4.942 -4.140 17.236 1.00 0.00 WT3 H ATOM 47310 H2 TIP3 8914 -2.617 23.897 -10.681 1.00 0.00 WT3 H ATOM 47311 OH2 TIP3 8915 -2.305 2.355 8.873 1.00 0.00 WT3 O ATOM 47312 H1 TIP3 8915 -0.032 -3.342 4.182 1.00 0.00 WT3 H ATOM 47313 H2 TIP3 8915 2.591 -5.519 20.389 1.00 0.00 WT3 H ATOM 47314 OH2 TIP3 8917 7.702 3.221 1.543 1.00 0.00 WT3 O ATOM 47315 H1 TIP3 8917 9.276 13.363 -1.189 1.00 0.00 WT3 H ATOM 47316 H2 TIP3 8917 2.319 3.966 9.334 1.00 0.00 WT3 H ATOM 47317 OH2 TIP3 8918 -3.205 4.611 -0.391 1.00 0.00 WT3 O ATOM 47318 H1 TIP3 8918 5.601 20.201 -7.383 1.00 0.00 WT3 H ATOM 47319 H2 TIP3 8918 13.212 43.523 -24.880 1.00 0.00 WT3 H ATOM 47320 OH2 TIP3 8919 1.680 -3.284 2.537 1.00 0.00 WT3 O ATOM 47321 H1 TIP3 8919 2.586 -1.876 -9.643 1.00 0.00 WT3 H ATOM 47322 H2 TIP3 8919 11.979 8.020 0.725 1.00 0.00 WT3 H ATOM 47323 OH2 TIP3 8920 -3.134 -0.407 -1.897 1.00 0.00 WT3 O ATOM 47324 H1 TIP3 8920 1.212 -1.309 17.848 1.00 0.00 WT3 H ATOM 47325 H2 TIP3 8920 -4.921 -2.486 11.402 1.00 0.00 WT3 H ATOM 47326 OH2 TIP3 8921 -0.385 -1.008 -2.550 1.00 0.00 WT3 O ATOM 47327 H1 TIP3 8921 -7.916 10.682 10.584 1.00 0.00 WT3 H ATOM 47328 H2 TIP3 8921 26.956 -9.525 12.982 1.00 0.00 WT3 H ATOM 47329 OH2 TIP3 8922 1.551 1.575 -3.430 1.00 0.00 WT3 O ATOM 47330 H1 TIP3 8922 8.740 -17.220 14.702 1.00 0.00 WT3 H ATOM 47331 H2 TIP3 8922 3.444 -0.813 -1.233 1.00 0.00 WT3 H ATOM 47332 OH2 TIP3 8923 0.586 -2.597 -0.021 1.00 0.00 WT3 O ATOM 47333 H1 TIP3 8923 2.421 -30.660 -4.334 1.00 0.00 WT3 H ATOM 47334 H2 TIP3 8923 0.102 -14.976 -4.495 1.00 0.00 WT3 H ATOM 47335 OH2 TIP3 8924 2.913 1.896 0.402 1.00 0.00 WT3 O ATOM 47336 H1 TIP3 8924 -5.696 -22.033 -18.599 1.00 0.00 WT3 H ATOM 47337 H2 TIP3 8924 3.535 -0.474 1.358 1.00 0.00 WT3 H ATOM 47338 OH2 TIP3 8926 6.061 0.173 -5.420 1.00 0.00 WT3 O ATOM 47339 H1 TIP3 8926 11.886 0.331 10.437 1.00 0.00 WT3 H ATOM 47340 H2 TIP3 8926 -0.032 11.584 -6.339 1.00 0.00 WT3 H ATOM 47341 OH2 TIP3 8927 -7.861 -9.520 1.809 1.00 0.00 WT3 O ATOM 47342 H1 TIP3 8927 -12.394 3.293 21.210 1.00 0.00 WT3 H ATOM 47343 H2 TIP3 8927 -29.692 29.185 -3.037 1.00 0.00 WT3 H ATOM 47344 OH2 TIP3 8928 -2.170 -1.875 -2.901 1.00 0.00 WT3 O ATOM 47345 H1 TIP3 8928 -11.617 -14.447 -4.484 1.00 0.00 WT3 H ATOM 47346 H2 TIP3 8928 -12.952 -15.532 11.084 1.00 0.00 WT3 H ATOM 47347 OH2 TIP3 8929 4.159 0.274 1.590 1.00 0.00 WT3 O ATOM 47348 H1 TIP3 8929 -19.412 -17.171 -2.948 1.00 0.00 WT3 H ATOM 47349 H2 TIP3 8929 23.721 -15.799 29.767 1.00 0.00 WT3 H ATOM 47350 OH2 TIP3 8930 -0.760 2.497 6.499 1.00 0.00 WT3 O ATOM 47351 H1 TIP3 8930 7.636 12.239 -6.768 1.00 0.00 WT3 H ATOM 47352 H2 TIP3 8930 13.281 -8.988 5.795 1.00 0.00 WT3 H ATOM 47353 OH2 TIP3 8931 -2.948 3.617 -1.930 1.00 0.00 WT3 O ATOM 47354 H1 TIP3 8931 -15.651 -3.332 -9.108 1.00 0.00 WT3 H ATOM 47355 H2 TIP3 8931 -0.248 6.548 -5.517 1.00 0.00 WT3 H ATOM 47356 OH2 TIP3 8932 -0.230 -1.502 0.645 1.00 0.00 WT3 O ATOM 47357 H1 TIP3 8932 -4.355 -8.792 4.637 1.00 0.00 WT3 H ATOM 47358 H2 TIP3 8932 -36.116 5.675 -20.552 1.00 0.00 WT3 H ATOM 47359 OH2 TIP3 8933 1.521 -2.258 6.045 1.00 0.00 WT3 O ATOM 47360 H1 TIP3 8933 17.539 -17.506 30.565 1.00 0.00 WT3 H ATOM 47361 H2 TIP3 8933 -10.669 -14.494 31.504 1.00 0.00 WT3 H ATOM 47362 OH2 TIP3 8934 -2.640 -7.536 0.633 1.00 0.00 WT3 O ATOM 47363 H1 TIP3 8934 -2.588 -3.571 11.938 1.00 0.00 WT3 H ATOM 47364 H2 TIP3 8934 4.933 -12.093 2.657 1.00 0.00 WT3 H ATOM 47365 OH2 TIP3 8935 -2.284 -0.716 -4.006 1.00 0.00 WT3 O ATOM 47366 H1 TIP3 8935 8.376 -10.834 -21.833 1.00 0.00 WT3 H ATOM 47367 H2 TIP3 8935 -13.427 5.687 -11.197 1.00 0.00 WT3 H ATOM 47368 OH2 TIP3 8936 -5.534 -7.058 0.849 1.00 0.00 WT3 O ATOM 47369 H1 TIP3 8936 -0.434 1.822 7.545 1.00 0.00 WT3 H ATOM 47370 H2 TIP3 8936 5.075 10.918 8.524 1.00 0.00 WT3 H ATOM 47371 OH2 TIP3 8937 3.184 -1.496 -0.257 1.00 0.00 WT3 O ATOM 47372 H1 TIP3 8937 -9.178 -8.400 5.457 1.00 0.00 WT3 H ATOM 47373 H2 TIP3 8937 2.435 6.006 7.825 1.00 0.00 WT3 H ATOM 47374 OH2 TIP3 8938 5.867 -0.414 -4.063 1.00 0.00 WT3 O ATOM 47375 H1 TIP3 8938 7.252 4.762 -6.643 1.00 0.00 WT3 H ATOM 47376 H2 TIP3 8938 4.372 -2.712 -1.121 1.00 0.00 WT3 H ATOM 47377 OH2 TIP3 8939 -9.426 0.481 1.680 1.00 0.00 WT3 O ATOM 47378 H1 TIP3 8939 -20.778 3.028 -3.614 1.00 0.00 WT3 H ATOM 47379 H2 TIP3 8939 -11.217 -1.269 5.603 1.00 0.00 WT3 H ATOM 47380 OH2 TIP3 8940 5.256 -8.190 -6.988 1.00 0.00 WT3 O ATOM 47381 H1 TIP3 8940 -5.831 -8.889 2.208 1.00 0.00 WT3 H ATOM 47382 H2 TIP3 8940 -0.896 -10.425 -10.029 1.00 0.00 WT3 H ATOM 47383 OH2 TIP3 8941 -5.482 2.482 1.844 1.00 0.00 WT3 O ATOM 47384 H1 TIP3 8941 -2.802 9.540 4.078 1.00 0.00 WT3 H ATOM 47385 H2 TIP3 8941 9.038 11.681 0.157 1.00 0.00 WT3 H ATOM 47386 OH2 TIP3 8942 -7.844 -2.155 0.921 1.00 0.00 WT3 O ATOM 47387 H1 TIP3 8942 -6.588 2.161 8.001 1.00 0.00 WT3 H ATOM 47388 H2 TIP3 8942 -8.350 -4.462 -1.678 1.00 0.00 WT3 H ATOM 47389 OH2 TIP3 8943 -5.422 -2.097 -1.499 1.00 0.00 WT3 O ATOM 47390 H1 TIP3 8943 -24.126 -0.680 -19.430 1.00 0.00 WT3 H ATOM 47391 H2 TIP3 8943 -10.066 -3.669 -22.464 1.00 0.00 WT3 H ATOM 47392 OH2 TIP3 8944 -6.133 -3.376 -4.842 1.00 0.00 WT3 O ATOM 47393 H1 TIP3 8944 -14.866 -5.524 -2.708 1.00 0.00 WT3 H ATOM 47394 H2 TIP3 8944 10.217 -3.839 -4.947 1.00 0.00 WT3 H ATOM 47395 OH2 TIP3 8945 -5.153 -1.118 3.672 1.00 0.00 WT3 O ATOM 47396 H1 TIP3 8945 3.395 5.490 13.959 1.00 0.00 WT3 H ATOM 47397 H2 TIP3 8945 12.284 16.803 4.408 1.00 0.00 WT3 H ATOM 47398 OH2 TIP3 8946 -4.162 -3.591 -0.026 1.00 0.00 WT3 O ATOM 47399 H1 TIP3 8946 8.557 15.784 12.744 1.00 0.00 WT3 H ATOM 47400 H2 TIP3 8946 -1.586 8.764 -4.590 1.00 0.00 WT3 H ATOM 47401 OH2 TIP3 8947 -3.569 -1.036 0.866 1.00 0.00 WT3 O ATOM 47402 H1 TIP3 8947 -6.991 -0.736 22.601 1.00 0.00 WT3 H ATOM 47403 H2 TIP3 8947 -3.980 8.968 -32.380 1.00 0.00 WT3 H ATOM 47404 OH2 TIP3 8948 0.674 3.013 -0.460 1.00 0.00 WT3 O ATOM 47405 H1 TIP3 8948 14.011 -18.223 9.754 1.00 0.00 WT3 H ATOM 47406 H2 TIP3 8948 0.787 2.188 -2.071 1.00 0.00 WT3 H ATOM 47407 OH2 TIP3 8949 2.253 -4.196 -2.065 1.00 0.00 WT3 O ATOM 47408 H1 TIP3 8949 4.475 2.922 5.522 1.00 0.00 WT3 H ATOM 47409 H2 TIP3 8949 -0.839 2.861 4.712 1.00 0.00 WT3 H ATOM 47410 OH2 TIP3 8951 0.602 -6.461 -3.563 1.00 0.00 WT3 O ATOM 47411 H1 TIP3 8951 16.995 -4.559 4.840 1.00 0.00 WT3 H ATOM 47412 H2 TIP3 8951 0.015 22.711 16.952 1.00 0.00 WT3 H ATOM 47413 OH2 TIP3 8952 -0.123 0.407 0.421 1.00 0.00 WT3 O ATOM 47414 H1 TIP3 8952 -5.063 23.586 4.026 1.00 0.00 WT3 H ATOM 47415 H2 TIP3 8952 23.664 -13.220 -3.676 1.00 0.00 WT3 H ATOM 47416 OH2 TIP3 8953 4.671 -3.573 0.352 1.00 0.00 WT3 O ATOM 47417 H1 TIP3 8953 9.254 7.047 7.046 1.00 0.00 WT3 H ATOM 47418 H2 TIP3 8953 8.529 0.042 4.398 1.00 0.00 WT3 H ATOM 47419 OH2 TIP3 8954 5.322 -5.693 1.866 1.00 0.00 WT3 O ATOM 47420 H1 TIP3 8954 2.311 4.532 -0.105 1.00 0.00 WT3 H ATOM 47421 H2 TIP3 8954 10.951 -7.651 -6.355 1.00 0.00 WT3 H ATOM 47422 OH2 TIP3 8956 -2.208 0.339 -4.652 1.00 0.00 WT3 O ATOM 47423 H1 TIP3 8956 16.606 22.098 -21.111 1.00 0.00 WT3 H ATOM 47424 H2 TIP3 8956 -7.050 3.983 4.067 1.00 0.00 WT3 H ATOM 47425 OH2 TIP3 8958 3.100 -0.310 1.921 1.00 0.00 WT3 O ATOM 47426 H1 TIP3 8958 10.197 10.003 -21.957 1.00 0.00 WT3 H ATOM 47427 H2 TIP3 8958 -12.939 -14.930 15.965 1.00 0.00 WT3 H ATOM 47428 OH2 TIP3 8959 -0.146 5.131 1.567 1.00 0.00 WT3 O ATOM 47429 H1 TIP3 8959 2.967 9.550 -8.334 1.00 0.00 WT3 H ATOM 47430 H2 TIP3 8959 -18.084 -19.697 11.315 1.00 0.00 WT3 H ATOM 47431 OH2 TIP3 8960 -0.137 1.196 0.913 1.00 0.00 WT3 O ATOM 47432 H1 TIP3 8960 5.121 5.456 -4.493 1.00 0.00 WT3 H ATOM 47433 H2 TIP3 8960 -11.640 -16.141 10.244 1.00 0.00 WT3 H ATOM 47434 OH2 TIP3 8961 3.034 -0.245 5.040 1.00 0.00 WT3 O ATOM 47435 H1 TIP3 8961 17.867 2.072 2.429 1.00 0.00 WT3 H ATOM 47436 H2 TIP3 8961 -3.334 -7.059 -9.761 1.00 0.00 WT3 H ATOM 47437 OH2 TIP3 8962 1.576 -3.065 -3.526 1.00 0.00 WT3 O ATOM 47438 H1 TIP3 8962 -29.099 -11.158 -13.124 1.00 0.00 WT3 H ATOM 47439 H2 TIP3 8962 -14.113 -14.701 4.256 1.00 0.00 WT3 H ATOM 47440 OH2 TIP3 8965 7.216 -7.210 -1.949 1.00 0.00 WT3 O ATOM 47441 H1 TIP3 8965 -0.367 8.998 -6.582 1.00 0.00 WT3 H ATOM 47442 H2 TIP3 8965 -5.205 -11.514 8.956 1.00 0.00 WT3 H ATOM 47443 OH2 TIP3 8966 1.016 -1.182 1.332 1.00 0.00 WT3 O ATOM 47444 H1 TIP3 8966 -27.119 -2.326 -2.911 1.00 0.00 WT3 H ATOM 47445 H2 TIP3 8966 -3.378 12.626 -7.794 1.00 0.00 WT3 H ATOM 47446 OH2 TIP3 8969 -0.055 -5.427 -1.974 1.00 0.00 WT3 O ATOM 47447 H1 TIP3 8969 9.298 3.165 -5.917 1.00 0.00 WT3 H ATOM 47448 H2 TIP3 8969 2.771 3.120 -2.068 1.00 0.00 WT3 H ATOM 47449 OH2 TIP3 8970 -5.336 0.999 -4.211 1.00 0.00 WT3 O ATOM 47450 H1 TIP3 8970 -8.029 -18.286 -2.648 1.00 0.00 WT3 H ATOM 47451 H2 TIP3 8970 -0.166 2.793 -4.559 1.00 0.00 WT3 H ATOM 47452 OH2 TIP3 8971 -6.103 0.789 -0.677 1.00 0.00 WT3 O ATOM 47453 H1 TIP3 8971 21.183 7.925 20.606 1.00 0.00 WT3 H ATOM 47454 H2 TIP3 8971 1.600 -6.409 -14.441 1.00 0.00 WT3 H ATOM 47455 OH2 TIP3 8972 -9.382 0.431 2.907 1.00 0.00 WT3 O ATOM 47456 H1 TIP3 8972 -3.947 6.803 5.167 1.00 0.00 WT3 H ATOM 47457 H2 TIP3 8972 -7.545 3.174 0.328 1.00 0.00 WT3 H ATOM 47458 OH2 TIP3 8973 -3.531 -1.478 -3.234 1.00 0.00 WT3 O ATOM 47459 H1 TIP3 8973 -4.114 22.925 6.169 1.00 0.00 WT3 H ATOM 47460 H2 TIP3 8973 7.302 -30.248 -21.263 1.00 0.00 WT3 H ATOM 47461 OH2 TIP3 8974 5.667 -3.358 -3.499 1.00 0.00 WT3 O ATOM 47462 H1 TIP3 8974 -3.128 5.850 7.611 1.00 0.00 WT3 H ATOM 47463 H2 TIP3 8974 25.247 -1.987 2.372 1.00 0.00 WT3 H ATOM 47464 OH2 TIP3 8975 -0.611 -5.072 0.925 1.00 0.00 WT3 O ATOM 47465 H1 TIP3 8975 2.669 5.302 -0.330 1.00 0.00 WT3 H ATOM 47466 H2 TIP3 8975 -27.924 3.176 7.515 1.00 0.00 WT3 H ATOM 47467 OH2 TIP3 8976 -4.241 6.933 -1.777 1.00 0.00 WT3 O ATOM 47468 H1 TIP3 8976 10.846 -10.641 6.466 1.00 0.00 WT3 H ATOM 47469 H2 TIP3 8976 -16.087 -0.961 -18.244 1.00 0.00 WT3 H ATOM 47470 OH2 TIP3 8977 1.532 -5.529 3.207 1.00 0.00 WT3 O ATOM 47471 H1 TIP3 8977 0.225 -8.427 -7.450 1.00 0.00 WT3 H ATOM 47472 H2 TIP3 8977 5.518 -5.409 -14.662 1.00 0.00 WT3 H ATOM 47473 OH2 TIP3 8978 1.973 -3.244 -0.961 1.00 0.00 WT3 O ATOM 47474 H1 TIP3 8978 -6.073 4.767 4.917 1.00 0.00 WT3 H ATOM 47475 H2 TIP3 8978 1.409 -14.535 3.803 1.00 0.00 WT3 H ATOM 47476 OH2 TIP3 8979 -0.796 1.729 -2.688 1.00 0.00 WT3 O ATOM 47477 H1 TIP3 8979 -0.861 -0.184 3.480 1.00 0.00 WT3 H ATOM 47478 H2 TIP3 8979 -0.852 0.456 0.506 1.00 0.00 WT3 H ATOM 47479 OH2 TIP3 8980 7.252 1.907 2.879 1.00 0.00 WT3 O ATOM 47480 H1 TIP3 8980 8.273 0.599 -0.250 1.00 0.00 WT3 H ATOM 47481 H2 TIP3 8980 7.520 2.179 2.045 1.00 0.00 WT3 H ATOM 47482 OH2 TIP3 8981 -1.563 5.176 0.051 1.00 0.00 WT3 O ATOM 47483 H1 TIP3 8981 20.800 8.940 18.020 1.00 0.00 WT3 H ATOM 47484 H2 TIP3 8981 -9.374 -15.308 9.539 1.00 0.00 WT3 H ATOM 47485 OH2 TIP3 8982 -5.246 4.296 2.480 1.00 0.00 WT3 O ATOM 47486 H1 TIP3 8982 3.378 -8.545 6.456 1.00 0.00 WT3 H ATOM 47487 H2 TIP3 8982 -40.208 2.320 -13.585 1.00 0.00 WT3 H ATOM 47488 OH2 TIP3 8983 -3.269 4.611 -5.776 1.00 0.00 WT3 O ATOM 47489 H1 TIP3 8983 -6.288 -3.476 -2.527 1.00 0.00 WT3 H ATOM 47490 H2 TIP3 8983 -10.617 -0.942 6.204 1.00 0.00 WT3 H ATOM 47491 OH2 TIP3 8984 2.123 3.318 -6.069 1.00 0.00 WT3 O ATOM 47492 H1 TIP3 8984 -3.715 8.284 -15.743 1.00 0.00 WT3 H ATOM 47493 H2 TIP3 8984 -2.799 -18.629 11.342 1.00 0.00 WT3 H ATOM 47494 OH2 TIP3 8985 2.961 -2.529 -6.225 1.00 0.00 WT3 O ATOM 47495 H1 TIP3 8985 -7.529 -5.260 -13.170 1.00 0.00 WT3 H ATOM 47496 H2 TIP3 8985 12.770 -3.379 -6.732 1.00 0.00 WT3 H ATOM 47497 OH2 TIP3 8986 1.817 -4.471 -0.759 1.00 0.00 WT3 O ATOM 47498 H1 TIP3 8986 24.443 -13.929 -0.232 1.00 0.00 WT3 H ATOM 47499 H2 TIP3 8986 -4.555 -9.838 -4.430 1.00 0.00 WT3 H ATOM 47500 OH2 TIP3 8987 -3.352 6.703 -2.640 1.00 0.00 WT3 O ATOM 47501 H1 TIP3 8987 0.963 23.387 -3.778 1.00 0.00 WT3 H ATOM 47502 H2 TIP3 8987 -23.909 4.784 -19.830 1.00 0.00 WT3 H ATOM 47503 OH2 TIP3 8988 -4.981 -5.482 -3.565 1.00 0.00 WT3 O ATOM 47504 H1 TIP3 8988 -9.657 -2.328 7.772 1.00 0.00 WT3 H ATOM 47505 H2 TIP3 8988 -9.477 -3.823 10.272 1.00 0.00 WT3 H ATOM 47506 OH2 TIP3 8992 1.565 3.723 -2.269 1.00 0.00 WT3 O ATOM 47507 H1 TIP3 8992 6.041 2.221 -4.221 1.00 0.00 WT3 H ATOM 47508 H2 TIP3 8992 6.109 11.066 -7.633 1.00 0.00 WT3 H ATOM 47509 OH2 TIP3 8993 4.802 4.035 6.782 1.00 0.00 WT3 O ATOM 47510 H1 TIP3 8993 7.377 -1.234 -0.368 1.00 0.00 WT3 H ATOM 47511 H2 TIP3 8993 13.972 6.423 11.911 1.00 0.00 WT3 H ATOM 47512 OH2 TIP3 8995 0.031 3.835 -0.354 1.00 0.00 WT3 O ATOM 47513 H1 TIP3 8995 5.558 -2.385 5.278 1.00 0.00 WT3 H ATOM 47514 H2 TIP3 8995 4.147 14.382 2.125 1.00 0.00 WT3 H ATOM 47515 OH2 TIP3 8996 0.541 0.856 1.715 1.00 0.00 WT3 O ATOM 47516 H1 TIP3 8996 -1.591 2.367 -11.359 1.00 0.00 WT3 H ATOM 47517 H2 TIP3 8996 11.022 -26.247 10.068 1.00 0.00 WT3 H ATOM 47518 OH2 TIP3 8997 2.781 0.470 -5.586 1.00 0.00 WT3 O ATOM 47519 H1 TIP3 8997 -4.052 -10.152 -17.518 1.00 0.00 WT3 H ATOM 47520 H2 TIP3 8997 12.130 -9.331 -1.112 1.00 0.00 WT3 H ATOM 47521 OH2 TIP3 8998 -0.408 1.091 3.412 1.00 0.00 WT3 O ATOM 47522 H1 TIP3 8998 24.621 -4.796 1.027 1.00 0.00 WT3 H ATOM 47523 H2 TIP3 8998 -6.981 6.744 -8.367 1.00 0.00 WT3 H ATOM 47524 OH2 TIP3 9001 -0.577 -2.290 -1.317 1.00 0.00 WT3 O ATOM 47525 H1 TIP3 9001 3.269 -16.682 -22.711 1.00 0.00 WT3 H ATOM 47526 H2 TIP3 9001 -9.593 6.033 -4.151 1.00 0.00 WT3 H ATOM 47527 OH2 TIP3 9003 -4.855 -0.140 -4.923 1.00 0.00 WT3 O ATOM 47528 H1 TIP3 9003 -1.871 -19.692 -19.859 1.00 0.00 WT3 H ATOM 47529 H2 TIP3 9003 15.139 4.880 -25.407 1.00 0.00 WT3 H ATOM 47530 OH2 TIP3 9004 0.287 -6.405 -11.328 1.00 0.00 WT3 O ATOM 47531 H1 TIP3 9004 9.037 -9.179 3.404 1.00 0.00 WT3 H ATOM 47532 H2 TIP3 9004 -6.270 -21.219 -17.615 1.00 0.00 WT3 H ATOM 47533 OH2 TIP3 9006 -2.310 1.146 1.506 1.00 0.00 WT3 O ATOM 47534 H1 TIP3 9006 -22.360 17.842 -11.723 1.00 0.00 WT3 H ATOM 47535 H2 TIP3 9006 13.607 11.407 20.398 1.00 0.00 WT3 H ATOM 47536 OH2 TIP3 9008 -2.653 -12.743 -1.382 1.00 0.00 WT3 O ATOM 47537 H1 TIP3 9008 -5.926 -13.613 8.032 1.00 0.00 WT3 H ATOM 47538 H2 TIP3 9008 4.076 -4.895 -22.599 1.00 0.00 WT3 H ATOM 47539 OH2 TIP3 9009 2.298 -2.448 0.737 1.00 0.00 WT3 O ATOM 47540 H1 TIP3 9009 -9.201 -4.795 17.512 1.00 0.00 WT3 H ATOM 47541 H2 TIP3 9009 18.948 5.145 8.760 1.00 0.00 WT3 H ATOM 47542 OH2 TIP3 9010 -3.613 -3.497 2.059 1.00 0.00 WT3 O ATOM 47543 H1 TIP3 9010 0.322 -6.506 0.059 1.00 0.00 WT3 H ATOM 47544 H2 TIP3 9010 -12.230 13.232 -8.433 1.00 0.00 WT3 H ATOM 47545 OH2 TIP3 9014 1.549 -0.228 5.457 1.00 0.00 WT3 O ATOM 47546 H1 TIP3 9014 9.314 2.283 -11.315 1.00 0.00 WT3 H ATOM 47547 H2 TIP3 9014 10.209 1.295 10.599 1.00 0.00 WT3 H ATOM 47548 OH2 TIP3 9015 1.562 -0.270 -5.727 1.00 0.00 WT3 O ATOM 47549 H1 TIP3 9015 0.769 -2.411 -6.064 1.00 0.00 WT3 H ATOM 47550 H2 TIP3 9015 19.921 27.366 7.497 1.00 0.00 WT3 H ATOM 47551 OH2 TIP3 9017 -1.305 4.740 -3.858 1.00 0.00 WT3 O ATOM 47552 H1 TIP3 9017 0.204 1.707 -2.920 1.00 0.00 WT3 H ATOM 47553 H2 TIP3 9017 -5.902 14.779 -4.950 1.00 0.00 WT3 H ATOM 47554 OH2 TIP3 9018 5.037 -0.844 4.193 1.00 0.00 WT3 O ATOM 47555 H1 TIP3 9018 11.682 -14.194 -9.094 1.00 0.00 WT3 H ATOM 47556 H2 TIP3 9018 -10.565 -0.892 1.853 1.00 0.00 WT3 H ATOM 47557 OH2 TIP3 9019 0.170 -2.818 -8.963 1.00 0.00 WT3 O ATOM 47558 H1 TIP3 9019 -25.164 6.603 2.742 1.00 0.00 WT3 H ATOM 47559 H2 TIP3 9019 -7.560 22.014 -0.666 1.00 0.00 WT3 H ATOM 47560 OH2 TIP3 9020 0.118 -4.869 -1.974 1.00 0.00 WT3 O ATOM 47561 H1 TIP3 9020 -6.565 -3.005 8.628 1.00 0.00 WT3 H ATOM 47562 H2 TIP3 9020 -9.160 -20.168 -0.331 1.00 0.00 WT3 H ATOM 47563 OH2 TIP3 9022 -3.803 -4.819 -0.091 1.00 0.00 WT3 O ATOM 47564 H1 TIP3 9022 8.650 21.952 6.552 1.00 0.00 WT3 H ATOM 47565 H2 TIP3 9022 -29.561 3.046 11.801 1.00 0.00 WT3 H ATOM 47566 OH2 TIP3 9023 -4.782 6.626 -5.485 1.00 0.00 WT3 O ATOM 47567 H1 TIP3 9023 -0.470 20.899 -5.374 1.00 0.00 WT3 H ATOM 47568 H2 TIP3 9023 -10.283 -8.527 -6.997 1.00 0.00 WT3 H ATOM 47569 OH2 TIP3 9024 -3.210 8.164 1.594 1.00 0.00 WT3 O ATOM 47570 H1 TIP3 9024 -7.557 19.978 -0.638 1.00 0.00 WT3 H ATOM 47571 H2 TIP3 9024 4.980 -22.317 -6.527 1.00 0.00 WT3 H ATOM 47572 OH2 TIP3 9026 1.990 -2.474 0.168 1.00 0.00 WT3 O ATOM 47573 H1 TIP3 9026 -12.453 7.133 -23.840 1.00 0.00 WT3 H ATOM 47574 H2 TIP3 9026 -0.328 16.010 11.686 1.00 0.00 WT3 H ATOM 47575 OH2 TIP3 9027 -0.771 5.244 1.228 1.00 0.00 WT3 O ATOM 47576 H1 TIP3 9027 -4.174 17.492 -1.865 1.00 0.00 WT3 H ATOM 47577 H2 TIP3 9027 2.107 9.652 16.235 1.00 0.00 WT3 H ATOM 47578 OH2 TIP3 9030 2.735 6.713 -3.870 1.00 0.00 WT3 O ATOM 47579 H1 TIP3 9030 -7.906 2.959 -10.644 1.00 0.00 WT3 H ATOM 47580 H2 TIP3 9030 -1.827 22.941 0.541 1.00 0.00 WT3 H ATOM 47581 OH2 TIP3 9039 0.903 -5.278 -1.020 1.00 0.00 WT3 O ATOM 47582 H1 TIP3 9039 -4.112 -5.781 -8.839 1.00 0.00 WT3 H ATOM 47583 H2 TIP3 9039 -25.303 0.399 9.284 1.00 0.00 WT3 H ATOM 47584 OH2 TIP3 9041 1.157 0.379 -1.193 1.00 0.00 WT3 O ATOM 47585 H1 TIP3 9041 1.230 0.905 -1.773 1.00 0.00 WT3 H ATOM 47586 H2 TIP3 9041 -5.247 -40.767 -6.571 1.00 0.00 WT3 H ATOM 47587 OH2 TIP3 9042 5.007 -0.992 2.894 1.00 0.00 WT3 O ATOM 47588 H1 TIP3 9042 5.513 0.684 5.774 1.00 0.00 WT3 H ATOM 47589 H2 TIP3 9042 5.622 0.498 2.878 1.00 0.00 WT3 H ATOM 47590 OH2 TIP3 9047 2.089 3.358 -2.833 1.00 0.00 WT3 O ATOM 47591 H1 TIP3 9047 -0.357 -17.337 -20.021 1.00 0.00 WT3 H ATOM 47592 H2 TIP3 9047 16.371 -11.695 16.136 1.00 0.00 WT3 H ATOM 47593 OH2 TIP3 9050 -0.932 -8.225 3.905 1.00 0.00 WT3 O ATOM 47594 H1 TIP3 9050 -24.981 -4.386 -5.277 1.00 0.00 WT3 H ATOM 47595 H2 TIP3 9050 27.949 -7.021 5.558 1.00 0.00 WT3 H ATOM 47596 OH2 TIP3 9053 0.537 2.763 3.138 1.00 0.00 WT3 O ATOM 47597 H1 TIP3 9053 3.322 7.418 -15.208 1.00 0.00 WT3 H ATOM 47598 H2 TIP3 9053 3.452 -17.013 -1.886 1.00 0.00 WT3 H ATOM 47599 OH2 TIP3 9054 7.360 -2.803 -2.697 1.00 0.00 WT3 O ATOM 47600 H1 TIP3 9054 2.055 2.624 11.234 1.00 0.00 WT3 H ATOM 47601 H2 TIP3 9054 3.430 -15.091 -5.792 1.00 0.00 WT3 H ATOM 47602 OH2 TIP3 9055 1.520 0.660 -7.361 1.00 0.00 WT3 O ATOM 47603 H1 TIP3 9055 6.445 1.616 -8.142 1.00 0.00 WT3 H ATOM 47604 H2 TIP3 9055 1.056 -0.281 -10.861 1.00 0.00 WT3 H ATOM 47605 OH2 TIP3 9057 -2.465 1.674 -4.555 1.00 0.00 WT3 O ATOM 47606 H1 TIP3 9057 -25.365 -15.070 5.764 1.00 0.00 WT3 H ATOM 47607 H2 TIP3 9057 14.113 0.264 18.635 1.00 0.00 WT3 H ATOM 47608 OH2 TIP3 9060 1.862 2.339 3.725 1.00 0.00 WT3 O ATOM 47609 H1 TIP3 9060 12.295 5.848 20.370 1.00 0.00 WT3 H ATOM 47610 H2 TIP3 9060 -2.825 9.987 -15.906 1.00 0.00 WT3 H ATOM 47611 OH2 TIP3 9061 2.318 -2.497 7.937 1.00 0.00 WT3 O ATOM 47612 H1 TIP3 9061 10.144 0.594 7.899 1.00 0.00 WT3 H ATOM 47613 H2 TIP3 9061 -8.802 8.276 -3.869 1.00 0.00 WT3 H ATOM 47614 OH2 TIP3 9063 -4.396 -5.687 2.269 1.00 0.00 WT3 O ATOM 47615 H1 TIP3 9063 -8.706 -5.999 -29.045 1.00 0.00 WT3 H ATOM 47616 H2 TIP3 9063 -14.387 -5.009 23.692 1.00 0.00 WT3 H ATOM 47617 OH2 TIP3 9066 -0.466 0.309 0.033 1.00 0.00 WT3 O ATOM 47618 H1 TIP3 9066 4.614 1.801 -5.831 1.00 0.00 WT3 H ATOM 47619 H2 TIP3 9066 -4.308 13.676 3.263 1.00 0.00 WT3 H ATOM 47620 OH2 TIP3 9067 -2.907 -1.245 -3.359 1.00 0.00 WT3 O ATOM 47621 H1 TIP3 9067 -10.593 -24.192 -10.886 1.00 0.00 WT3 H ATOM 47622 H2 TIP3 9067 -6.216 -15.187 -7.025 1.00 0.00 WT3 H ATOM 47623 OH2 TIP3 9070 3.677 -9.030 -0.082 1.00 0.00 WT3 O ATOM 47624 H1 TIP3 9070 4.661 15.300 -7.638 1.00 0.00 WT3 H ATOM 47625 H2 TIP3 9070 -5.460 -4.083 2.063 1.00 0.00 WT3 H ATOM 47626 OH2 TIP3 9072 -0.631 -0.129 6.156 1.00 0.00 WT3 O ATOM 47627 H1 TIP3 9072 -1.629 17.284 -0.648 1.00 0.00 WT3 H ATOM 47628 H2 TIP3 9072 -2.303 15.714 11.549 1.00 0.00 WT3 H ATOM 47629 OH2 TIP3 9082 1.959 4.490 0.767 1.00 0.00 WT3 O ATOM 47630 H1 TIP3 9082 0.834 -3.720 -2.046 1.00 0.00 WT3 H ATOM 47631 H2 TIP3 9082 4.234 8.043 -5.565 1.00 0.00 WT3 H ATOM 47632 OH2 TIP3 9084 -0.917 3.885 4.680 1.00 0.00 WT3 O ATOM 47633 H1 TIP3 9084 -2.980 12.778 -3.229 1.00 0.00 WT3 H ATOM 47634 H2 TIP3 9084 4.603 19.642 -6.001 1.00 0.00 WT3 H ATOM 47635 OH2 TIP3 9090 1.244 1.611 -3.233 1.00 0.00 WT3 O ATOM 47636 H1 TIP3 9090 -7.111 12.607 25.862 1.00 0.00 WT3 H ATOM 47637 H2 TIP3 9090 -21.152 13.936 -23.731 1.00 0.00 WT3 H ATOM 47638 OH2 TIP3 9094 10.275 -0.785 -1.054 1.00 0.00 WT3 O ATOM 47639 H1 TIP3 9094 0.585 -8.793 -12.579 1.00 0.00 WT3 H ATOM 47640 H2 TIP3 9094 -18.637 9.948 14.350 1.00 0.00 WT3 H ATOM 47641 OH2 TIP3 9096 -1.023 1.542 2.672 1.00 0.00 WT3 O ATOM 47642 H1 TIP3 9096 -3.137 2.262 5.607 1.00 0.00 WT3 H ATOM 47643 H2 TIP3 9096 0.533 0.572 1.654 1.00 0.00 WT3 H ATOM 47644 OH2 TIP3 9109 3.766 -0.058 -2.373 1.00 0.00 WT3 O ATOM 47645 H1 TIP3 9109 0.869 18.509 10.540 1.00 0.00 WT3 H ATOM 47646 H2 TIP3 9109 -4.797 -20.324 10.889 1.00 0.00 WT3 H ATOM 47647 OH2 TIP3 9117 -3.129 2.066 -1.439 1.00 0.00 WT3 O ATOM 47648 H1 TIP3 9117 9.519 -13.514 6.086 1.00 0.00 WT3 H ATOM 47649 H2 TIP3 9117 4.310 4.486 5.428 1.00 0.00 WT3 H ATOM 47650 OH2 TIP3 9129 -1.104 1.030 -2.179 1.00 0.00 WT3 O ATOM 47651 H1 TIP3 9129 7.514 15.613 -16.118 1.00 0.00 WT3 H ATOM 47652 H2 TIP3 9129 3.014 -7.593 2.142 1.00 0.00 WT3 H ATOM 47653 OH2 TIP3 9137 6.859 0.274 7.001 1.00 0.00 WT3 O ATOM 47654 H1 TIP3 9137 11.863 3.063 15.634 1.00 0.00 WT3 H ATOM 47655 H2 TIP3 9137 1.044 0.153 6.293 1.00 0.00 WT3 H ATOM 47656 OH2 TIP3 9146 0.860 -3.300 -9.349 1.00 0.00 WT3 O ATOM 47657 H1 TIP3 9146 2.494 -8.244 -10.308 1.00 0.00 WT3 H ATOM 47658 H2 TIP3 9146 -19.197 5.938 6.649 1.00 0.00 WT3 H ATOM 47659 OH2 TIP3 9151 -3.249 -0.985 2.450 1.00 0.00 WT3 O ATOM 47660 H1 TIP3 9151 0.642 11.092 -14.339 1.00 0.00 WT3 H ATOM 47661 H2 TIP3 9151 -14.750 -25.245 -11.116 1.00 0.00 WT3 H ATOM 47662 OH2 TIP3 9165 -3.570 5.816 -0.281 1.00 0.00 WT3 O ATOM 47663 H1 TIP3 9165 5.251 6.518 -21.392 1.00 0.00 WT3 H ATOM 47664 H2 TIP3 9165 13.053 -3.753 -1.239 1.00 0.00 WT3 H ATOM 47665 OH2 TIP3 9168 -0.136 -1.729 -1.243 1.00 0.00 WT3 O ATOM 47666 H1 TIP3 9168 -5.850 -5.934 -14.793 1.00 0.00 WT3 H ATOM 47667 H2 TIP3 9168 9.017 -5.839 -30.218 1.00 0.00 WT3 H ATOM 47668 OH2 TIP3 9169 -0.425 3.542 2.224 1.00 0.00 WT3 O ATOM 47669 H1 TIP3 9169 -0.421 8.292 -2.352 1.00 0.00 WT3 H ATOM 47670 H2 TIP3 9169 1.966 -15.994 20.957 1.00 0.00 WT3 H ATOM 47671 OH2 TIP3 9178 1.966 -1.960 0.168 1.00 0.00 WT3 O ATOM 47672 H1 TIP3 9178 -11.451 3.555 -2.974 1.00 0.00 WT3 H ATOM 47673 H2 TIP3 9178 8.961 5.372 0.558 1.00 0.00 WT3 H ATOM 47674 OH2 TIP3 9201 3.351 4.487 -2.528 1.00 0.00 WT3 O ATOM 47675 H1 TIP3 9201 -4.278 11.678 -0.393 1.00 0.00 WT3 H ATOM 47676 H2 TIP3 9201 -9.465 -12.038 -19.507 1.00 0.00 WT3 H ATOM 47677 OH2 TIP3 9210 -5.805 0.230 4.619 1.00 0.00 WT3 O ATOM 47678 H1 TIP3 9210 2.402 6.653 -0.271 1.00 0.00 WT3 H ATOM 47679 H2 TIP3 9210 -20.406 -16.014 12.389 1.00 0.00 WT3 H ATOM 47680 OH2 TIP3 9212 1.800 -4.144 7.719 1.00 0.00 WT3 O ATOM 47681 H1 TIP3 9212 -25.670 -4.568 4.342 1.00 0.00 WT3 H ATOM 47682 H2 TIP3 9212 7.592 2.789 1.909 1.00 0.00 WT3 H ATOM 47683 OH2 TIP3 9214 -0.567 0.234 -3.743 1.00 0.00 WT3 O ATOM 47684 H1 TIP3 9214 10.486 0.353 -9.077 1.00 0.00 WT3 H ATOM 47685 H2 TIP3 9214 -8.074 12.558 -4.952 1.00 0.00 WT3 H ATOM 47686 OH2 TIP3 9226 1.191 4.717 6.225 1.00 0.00 WT3 O ATOM 47687 H1 TIP3 9226 5.055 5.174 -16.615 1.00 0.00 WT3 H ATOM 47688 H2 TIP3 9226 -7.181 -3.806 21.893 1.00 0.00 WT3 H ATOM 47689 OH2 TIP3 9230 -4.974 -0.212 -6.108 1.00 0.00 WT3 O ATOM 47690 H1 TIP3 9230 -1.930 -1.742 3.254 1.00 0.00 WT3 H ATOM 47691 H2 TIP3 9230 1.502 6.475 -10.963 1.00 0.00 WT3 H ATOM 47692 OH2 TIP3 9231 -4.988 5.573 2.361 1.00 0.00 WT3 O ATOM 47693 H1 TIP3 9231 6.269 26.086 -19.703 1.00 0.00 WT3 H ATOM 47694 H2 TIP3 9231 3.615 -10.396 9.939 1.00 0.00 WT3 H ATOM 47695 OH2 TIP3 9234 -0.366 0.217 -6.344 1.00 0.00 WT3 O ATOM 47696 H1 TIP3 9234 19.080 5.064 -28.635 1.00 0.00 WT3 H ATOM 47697 H2 TIP3 9234 16.734 -21.968 11.900 1.00 0.00 WT3 H ATOM 47698 OH2 TIP3 9240 -2.484 -1.120 6.900 1.00 0.00 WT3 O ATOM 47699 H1 TIP3 9240 27.065 -7.861 19.905 1.00 0.00 WT3 H ATOM 47700 H2 TIP3 9240 0.346 13.206 -16.980 1.00 0.00 WT3 H ATOM 47701 OH2 TIP3 9241 0.128 -7.568 -9.609 1.00 0.00 WT3 O ATOM 47702 H1 TIP3 9241 -8.077 5.887 3.915 1.00 0.00 WT3 H ATOM 47703 H2 TIP3 9241 -3.358 -2.191 -24.098 1.00 0.00 WT3 H ATOM 47704 OH2 TIP3 9243 4.005 -4.608 -0.224 1.00 0.00 WT3 O ATOM 47705 H1 TIP3 9243 -4.193 -0.765 -0.430 1.00 0.00 WT3 H ATOM 47706 H2 TIP3 9243 9.204 -5.597 10.084 1.00 0.00 WT3 H ATOM 47707 OH2 TIP3 9246 -7.252 2.406 1.863 1.00 0.00 WT3 O ATOM 47708 H1 TIP3 9246 20.117 -5.043 6.500 1.00 0.00 WT3 H ATOM 47709 H2 TIP3 9246 -18.774 -15.995 -17.293 1.00 0.00 WT3 H ATOM 47710 OH2 TIP3 9250 -4.144 4.454 -0.088 1.00 0.00 WT3 O ATOM 47711 H1 TIP3 9250 -6.743 -0.433 12.448 1.00 0.00 WT3 H ATOM 47712 H2 TIP3 9250 -14.475 0.384 -3.801 1.00 0.00 WT3 H ATOM 47713 OH2 TIP3 9252 -8.593 0.411 3.200 1.00 0.00 WT3 O ATOM 47714 H1 TIP3 9252 -18.849 -4.399 8.949 1.00 0.00 WT3 H ATOM 47715 H2 TIP3 9252 -12.086 -3.323 0.316 1.00 0.00 WT3 H ATOM 47716 OH2 TIP3 9253 -1.339 -1.013 0.581 1.00 0.00 WT3 O ATOM 47717 H1 TIP3 9253 17.032 -19.618 7.344 1.00 0.00 WT3 H ATOM 47718 H2 TIP3 9253 -9.807 9.286 24.753 1.00 0.00 WT3 H ATOM 47719 OH2 TIP3 9255 2.286 -1.545 -4.802 1.00 0.00 WT3 O ATOM 47720 H1 TIP3 9255 -29.438 -5.482 -13.398 1.00 0.00 WT3 H ATOM 47721 H2 TIP3 9255 -34.575 -8.107 -6.697 1.00 0.00 WT3 H ATOM 47722 OH2 TIP3 9257 -1.925 2.238 1.743 1.00 0.00 WT3 O ATOM 47723 H1 TIP3 9257 5.709 -2.653 -13.347 1.00 0.00 WT3 H ATOM 47724 H2 TIP3 9257 -0.862 5.299 -1.823 1.00 0.00 WT3 H ATOM 47725 OH2 TIP3 9260 2.835 6.428 -0.051 1.00 0.00 WT3 O ATOM 47726 H1 TIP3 9260 -2.738 -1.421 -13.536 1.00 0.00 WT3 H ATOM 47727 H2 TIP3 9260 -3.016 6.294 -8.006 1.00 0.00 WT3 H ATOM 47728 OH2 TIP3 9261 -0.514 -1.869 5.992 1.00 0.00 WT3 O ATOM 47729 H1 TIP3 9261 6.604 -4.138 -4.553 1.00 0.00 WT3 H ATOM 47730 H2 TIP3 9261 0.049 5.131 2.432 1.00 0.00 WT3 H ATOM 47731 OH2 TIP3 4 4.826 -1.970 0.484 1.00 0.00 WT4 O ATOM 47732 H1 TIP3 4 -2.316 0.349 -32.006 1.00 0.00 WT4 H ATOM 47733 H2 TIP3 4 -2.706 -0.487 -19.922 1.00 0.00 WT4 H ATOM 47734 OH2 TIP3 5 2.677 -4.303 -1.596 1.00 0.00 WT4 O ATOM 47735 H1 TIP3 5 -7.793 -4.846 17.281 1.00 0.00 WT4 H ATOM 47736 H2 TIP3 5 19.368 28.336 -0.323 1.00 0.00 WT4 H ATOM 47737 OH2 TIP3 7 -2.196 -4.076 0.438 1.00 0.00 WT4 O ATOM 47738 H1 TIP3 7 3.162 -14.685 7.788 1.00 0.00 WT4 H ATOM 47739 H2 TIP3 7 -13.320 -0.187 2.830 1.00 0.00 WT4 H ATOM 47740 OH2 TIP3 11 -1.138 4.887 0.288 1.00 0.00 WT4 O ATOM 47741 H1 TIP3 11 7.830 -1.943 -5.621 1.00 0.00 WT4 H ATOM 47742 H2 TIP3 11 17.283 -5.312 -4.920 1.00 0.00 WT4 H ATOM 47743 OH2 TIP3 21 2.398 -0.870 -2.444 1.00 0.00 WT4 O ATOM 47744 H1 TIP3 21 -16.846 -7.662 -4.277 1.00 0.00 WT4 H ATOM 47745 H2 TIP3 21 13.678 -21.695 -15.272 1.00 0.00 WT4 H ATOM 47746 OH2 TIP3 22 -8.038 2.084 -5.845 1.00 0.00 WT4 O ATOM 47747 H1 TIP3 22 6.599 1.292 -6.155 1.00 0.00 WT4 H ATOM 47748 H2 TIP3 22 -13.641 -5.560 0.067 1.00 0.00 WT4 H ATOM 47749 OH2 TIP3 23 3.404 -0.730 0.944 1.00 0.00 WT4 O ATOM 47750 H1 TIP3 23 -8.013 -0.932 0.848 1.00 0.00 WT4 H ATOM 47751 H2 TIP3 23 10.401 -0.865 0.515 1.00 0.00 WT4 H ATOM 47752 OH2 TIP3 24 -9.123 -0.597 -1.316 1.00 0.00 WT4 O ATOM 47753 H1 TIP3 24 -16.112 -25.504 -1.987 1.00 0.00 WT4 H ATOM 47754 H2 TIP3 24 18.577 -7.986 1.739 1.00 0.00 WT4 H ATOM 47755 OH2 TIP3 25 4.000 1.842 -1.018 1.00 0.00 WT4 O ATOM 47756 H1 TIP3 25 -3.099 -8.676 -7.467 1.00 0.00 WT4 H ATOM 47757 H2 TIP3 25 11.334 14.213 -0.659 1.00 0.00 WT4 H ATOM 47758 OH2 TIP3 27 -4.112 -1.210 4.352 1.00 0.00 WT4 O ATOM 47759 H1 TIP3 27 -5.828 9.454 -3.717 1.00 0.00 WT4 H ATOM 47760 H2 TIP3 27 -12.259 26.006 -12.719 1.00 0.00 WT4 H ATOM 47761 OH2 TIP3 29 2.826 2.625 -5.247 1.00 0.00 WT4 O ATOM 47762 H1 TIP3 29 -0.598 -12.624 -11.253 1.00 0.00 WT4 H ATOM 47763 H2 TIP3 29 -3.070 7.059 -11.856 1.00 0.00 WT4 H ATOM 47764 OH2 TIP3 31 3.605 3.415 -5.679 1.00 0.00 WT4 O ATOM 47765 H1 TIP3 31 -4.529 10.744 5.828 1.00 0.00 WT4 H ATOM 47766 H2 TIP3 31 4.341 1.516 -3.974 1.00 0.00 WT4 H ATOM 47767 OH2 TIP3 43 -1.447 -1.948 3.309 1.00 0.00 WT4 O ATOM 47768 H1 TIP3 43 5.559 -9.828 11.514 1.00 0.00 WT4 H ATOM 47769 H2 TIP3 43 -3.406 -13.539 4.997 1.00 0.00 WT4 H ATOM 47770 OH2 TIP3 44 -1.674 -3.344 0.437 1.00 0.00 WT4 O ATOM 47771 H1 TIP3 44 -12.015 20.296 -9.913 1.00 0.00 WT4 H ATOM 47772 H2 TIP3 44 -6.417 -17.759 -15.057 1.00 0.00 WT4 H ATOM 47773 OH2 TIP3 46 -0.602 3.450 -4.002 1.00 0.00 WT4 O ATOM 47774 H1 TIP3 46 12.084 12.515 -4.556 1.00 0.00 WT4 H ATOM 47775 H2 TIP3 46 -7.714 4.710 -0.481 1.00 0.00 WT4 H ATOM 47776 OH2 TIP3 47 0.363 8.905 0.953 1.00 0.00 WT4 O ATOM 47777 H1 TIP3 47 4.729 -7.906 -11.163 1.00 0.00 WT4 H ATOM 47778 H2 TIP3 47 -12.331 1.471 13.458 1.00 0.00 WT4 H ATOM 47779 OH2 TIP3 48 1.558 0.548 0.703 1.00 0.00 WT4 O ATOM 47780 H1 TIP3 48 0.923 7.949 -0.332 1.00 0.00 WT4 H ATOM 47781 H2 TIP3 48 0.972 10.583 -1.259 1.00 0.00 WT4 H ATOM 47782 OH2 TIP3 50 -1.290 -0.482 0.371 1.00 0.00 WT4 O ATOM 47783 H1 TIP3 50 -18.795 -30.175 -11.144 1.00 0.00 WT4 H ATOM 47784 H2 TIP3 50 6.268 13.686 -28.495 1.00 0.00 WT4 H ATOM 47785 OH2 TIP3 64 -3.051 -4.271 -4.256 1.00 0.00 WT4 O ATOM 47786 H1 TIP3 64 -2.524 6.198 -13.009 1.00 0.00 WT4 H ATOM 47787 H2 TIP3 64 3.876 27.466 -3.541 1.00 0.00 WT4 H ATOM 47788 OH2 TIP3 66 -0.213 -4.265 5.537 1.00 0.00 WT4 O ATOM 47789 H1 TIP3 66 -4.963 -22.326 -11.686 1.00 0.00 WT4 H ATOM 47790 H2 TIP3 66 27.033 -8.363 16.043 1.00 0.00 WT4 H ATOM 47791 OH2 TIP3 67 4.848 0.715 1.945 1.00 0.00 WT4 O ATOM 47792 H1 TIP3 67 -0.403 31.936 3.161 1.00 0.00 WT4 H ATOM 47793 H2 TIP3 67 8.174 -10.316 31.007 1.00 0.00 WT4 H ATOM 47794 OH2 TIP3 68 1.325 -3.450 -3.164 1.00 0.00 WT4 O ATOM 47795 H1 TIP3 68 5.475 -16.265 4.032 1.00 0.00 WT4 H ATOM 47796 H2 TIP3 68 6.621 -17.054 5.033 1.00 0.00 WT4 H ATOM 47797 OH2 TIP3 69 -3.217 -2.370 -0.522 1.00 0.00 WT4 O ATOM 47798 H1 TIP3 69 -14.314 37.405 -14.088 1.00 0.00 WT4 H ATOM 47799 H2 TIP3 69 -8.721 19.556 6.352 1.00 0.00 WT4 H ATOM 47800 OH2 TIP3 70 -3.838 -2.772 9.078 1.00 0.00 WT4 O ATOM 47801 H1 TIP3 70 -2.944 6.479 10.377 1.00 0.00 WT4 H ATOM 47802 H2 TIP3 70 -2.271 25.123 8.548 1.00 0.00 WT4 H ATOM 47803 OH2 TIP3 72 6.281 3.352 1.840 1.00 0.00 WT4 O ATOM 47804 H1 TIP3 72 -8.382 -25.069 -10.984 1.00 0.00 WT4 H ATOM 47805 H2 TIP3 72 15.270 2.254 6.031 1.00 0.00 WT4 H ATOM 47806 OH2 TIP3 83 2.574 0.924 5.573 1.00 0.00 WT4 O ATOM 47807 H1 TIP3 83 6.185 -7.397 4.714 1.00 0.00 WT4 H ATOM 47808 H2 TIP3 83 -8.323 14.465 7.034 1.00 0.00 WT4 H ATOM 47809 OH2 TIP3 86 0.072 1.761 1.264 1.00 0.00 WT4 O ATOM 47810 H1 TIP3 86 7.428 0.968 -4.559 1.00 0.00 WT4 H ATOM 47811 H2 TIP3 86 13.009 -0.836 9.174 1.00 0.00 WT4 H ATOM 47812 OH2 TIP3 87 -0.953 -2.365 2.455 1.00 0.00 WT4 O ATOM 47813 H1 TIP3 87 -21.601 2.881 2.749 1.00 0.00 WT4 H ATOM 47814 H2 TIP3 87 5.825 13.534 9.853 1.00 0.00 WT4 H ATOM 47815 OH2 TIP3 88 0.010 -0.328 1.612 1.00 0.00 WT4 O ATOM 47816 H1 TIP3 88 -4.773 -3.540 -5.265 1.00 0.00 WT4 H ATOM 47817 H2 TIP3 88 2.280 15.039 10.115 1.00 0.00 WT4 H ATOM 47818 OH2 TIP3 90 3.931 1.112 1.689 1.00 0.00 WT4 O ATOM 47819 H1 TIP3 90 1.874 2.049 -14.857 1.00 0.00 WT4 H ATOM 47820 H2 TIP3 90 -11.699 7.023 11.060 1.00 0.00 WT4 H ATOM 47821 OH2 TIP3 91 -4.039 3.600 0.025 1.00 0.00 WT4 O ATOM 47822 H1 TIP3 91 16.058 -0.568 4.606 1.00 0.00 WT4 H ATOM 47823 H2 TIP3 91 39.819 -0.007 -5.934 1.00 0.00 WT4 H ATOM 47824 OH2 TIP3 93 0.389 -2.707 1.230 1.00 0.00 WT4 O ATOM 47825 H1 TIP3 93 -11.426 12.694 8.238 1.00 0.00 WT4 H ATOM 47826 H2 TIP3 93 8.097 -7.849 -3.493 1.00 0.00 WT4 H ATOM 47827 OH2 TIP3 107 3.394 1.892 4.779 1.00 0.00 WT4 O ATOM 47828 H1 TIP3 107 -0.635 -0.929 -2.362 1.00 0.00 WT4 H ATOM 47829 H2 TIP3 107 -0.623 0.470 -0.756 1.00 0.00 WT4 H ATOM 47830 OH2 TIP3 108 0.370 2.216 1.016 1.00 0.00 WT4 O ATOM 47831 H1 TIP3 108 -0.403 14.999 -0.058 1.00 0.00 WT4 H ATOM 47832 H2 TIP3 108 14.468 0.175 0.826 1.00 0.00 WT4 H ATOM 47833 OH2 TIP3 109 -4.038 -3.123 -0.607 1.00 0.00 WT4 O ATOM 47834 H1 TIP3 109 -22.814 -32.100 13.028 1.00 0.00 WT4 H ATOM 47835 H2 TIP3 109 -3.571 1.602 6.256 1.00 0.00 WT4 H ATOM 47836 OH2 TIP3 110 -1.003 2.412 3.167 1.00 0.00 WT4 O ATOM 47837 H1 TIP3 110 -4.878 6.363 2.135 1.00 0.00 WT4 H ATOM 47838 H2 TIP3 110 -0.577 -2.756 11.364 1.00 0.00 WT4 H ATOM 47839 OH2 TIP3 111 0.986 -2.047 -3.131 1.00 0.00 WT4 O ATOM 47840 H1 TIP3 111 -1.003 20.411 -12.295 1.00 0.00 WT4 H ATOM 47841 H2 TIP3 111 1.896 -20.206 -15.409 1.00 0.00 WT4 H ATOM 47842 OH2 TIP3 112 -1.321 3.582 -5.781 1.00 0.00 WT4 O ATOM 47843 H1 TIP3 112 -7.718 -11.797 -6.377 1.00 0.00 WT4 H ATOM 47844 H2 TIP3 112 15.677 11.540 16.504 1.00 0.00 WT4 H ATOM 47845 OH2 TIP3 113 3.313 3.976 -0.378 1.00 0.00 WT4 O ATOM 47846 H1 TIP3 113 -7.129 4.127 12.588 1.00 0.00 WT4 H ATOM 47847 H2 TIP3 113 6.799 6.793 -15.223 1.00 0.00 WT4 H ATOM 47848 OH2 TIP3 114 -3.897 -3.478 -2.092 1.00 0.00 WT4 O ATOM 47849 H1 TIP3 114 8.940 17.102 -2.287 1.00 0.00 WT4 H ATOM 47850 H2 TIP3 114 -7.719 -16.481 6.342 1.00 0.00 WT4 H ATOM 47851 OH2 TIP3 129 0.175 -0.267 -5.012 1.00 0.00 WT4 O ATOM 47852 H1 TIP3 129 4.002 14.469 -0.759 1.00 0.00 WT4 H ATOM 47853 H2 TIP3 129 20.694 12.158 -5.737 1.00 0.00 WT4 H ATOM 47854 OH2 TIP3 130 0.778 0.156 -4.129 1.00 0.00 WT4 O ATOM 47855 H1 TIP3 130 6.243 -11.307 -4.959 1.00 0.00 WT4 H ATOM 47856 H2 TIP3 130 3.558 3.260 7.784 1.00 0.00 WT4 H ATOM 47857 OH2 TIP3 132 7.059 -0.102 1.560 1.00 0.00 WT4 O ATOM 47858 H1 TIP3 132 1.259 -4.125 -5.471 1.00 0.00 WT4 H ATOM 47859 H2 TIP3 132 8.909 6.496 -6.702 1.00 0.00 WT4 H ATOM 47860 OH2 TIP3 133 -1.308 2.407 -0.175 1.00 0.00 WT4 O ATOM 47861 H1 TIP3 133 10.063 4.442 -14.461 1.00 0.00 WT4 H ATOM 47862 H2 TIP3 133 -14.853 -8.281 -8.691 1.00 0.00 WT4 H ATOM 47863 OH2 TIP3 144 2.001 3.823 2.200 1.00 0.00 WT4 O ATOM 47864 H1 TIP3 144 8.042 3.642 16.899 1.00 0.00 WT4 H ATOM 47865 H2 TIP3 144 8.329 -17.020 8.130 1.00 0.00 WT4 H ATOM 47866 OH2 TIP3 145 0.265 -2.421 -1.012 1.00 0.00 WT4 O ATOM 47867 H1 TIP3 145 1.707 3.711 -15.355 1.00 0.00 WT4 H ATOM 47868 H2 TIP3 145 1.362 -0.241 -22.322 1.00 0.00 WT4 H ATOM 47869 OH2 TIP3 149 0.895 5.518 -4.110 1.00 0.00 WT4 O ATOM 47870 H1 TIP3 149 7.024 -5.825 -13.066 1.00 0.00 WT4 H ATOM 47871 H2 TIP3 149 0.563 15.960 0.029 1.00 0.00 WT4 H ATOM 47872 OH2 TIP3 150 2.475 -7.678 4.503 1.00 0.00 WT4 O ATOM 47873 H1 TIP3 150 0.016 8.354 2.342 1.00 0.00 WT4 H ATOM 47874 H2 TIP3 150 0.156 7.205 4.771 1.00 0.00 WT4 H ATOM 47875 OH2 TIP3 151 0.213 -0.652 6.114 1.00 0.00 WT4 O ATOM 47876 H1 TIP3 151 -11.835 -6.392 -12.304 1.00 0.00 WT4 H ATOM 47877 H2 TIP3 151 5.063 4.251 -1.433 1.00 0.00 WT4 H ATOM 47878 OH2 TIP3 152 2.411 2.350 4.298 1.00 0.00 WT4 O ATOM 47879 H1 TIP3 152 10.608 5.020 5.157 1.00 0.00 WT4 H ATOM 47880 H2 TIP3 152 -5.061 -3.225 10.513 1.00 0.00 WT4 H ATOM 47881 OH2 TIP3 154 -0.281 -1.476 5.622 1.00 0.00 WT4 O ATOM 47882 H1 TIP3 154 -10.358 -4.076 9.927 1.00 0.00 WT4 H ATOM 47883 H2 TIP3 154 10.769 -3.945 3.512 1.00 0.00 WT4 H ATOM 47884 OH2 TIP3 167 2.127 -4.647 0.842 1.00 0.00 WT4 O ATOM 47885 H1 TIP3 167 21.734 -7.020 3.795 1.00 0.00 WT4 H ATOM 47886 H2 TIP3 167 15.578 -19.831 -9.938 1.00 0.00 WT4 H ATOM 47887 OH2 TIP3 171 -1.352 -4.949 4.609 1.00 0.00 WT4 O ATOM 47888 H1 TIP3 171 -7.278 -7.735 -11.943 1.00 0.00 WT4 H ATOM 47889 H2 TIP3 171 8.645 11.441 3.447 1.00 0.00 WT4 H ATOM 47890 OH2 TIP3 192 -9.874 -7.053 -0.369 1.00 0.00 WT4 O ATOM 47891 H1 TIP3 192 -13.962 3.360 13.990 1.00 0.00 WT4 H ATOM 47892 H2 TIP3 192 -26.446 -10.518 -14.277 1.00 0.00 WT4 H ATOM 47893 OH2 TIP3 193 3.827 5.445 -9.079 1.00 0.00 WT4 O ATOM 47894 H1 TIP3 193 29.088 -1.270 -10.544 1.00 0.00 WT4 H ATOM 47895 H2 TIP3 193 -3.228 -6.063 -3.301 1.00 0.00 WT4 H ATOM 47896 OH2 TIP3 212 0.015 -3.751 2.152 1.00 0.00 WT4 O ATOM 47897 H1 TIP3 212 4.329 -0.917 1.435 1.00 0.00 WT4 H ATOM 47898 H2 TIP3 212 -0.869 -1.916 7.802 1.00 0.00 WT4 H ATOM 47899 OH2 TIP3 236 -2.254 -0.376 -1.391 1.00 0.00 WT4 O ATOM 47900 H1 TIP3 236 -5.563 -8.551 -2.858 1.00 0.00 WT4 H ATOM 47901 H2 TIP3 236 12.926 -11.863 -9.999 1.00 0.00 WT4 H ATOM 47902 OH2 TIP3 237 -2.316 3.684 1.597 1.00 0.00 WT4 O ATOM 47903 H1 TIP3 237 1.769 14.360 4.634 1.00 0.00 WT4 H ATOM 47904 H2 TIP3 237 -13.897 1.717 2.223 1.00 0.00 WT4 H ATOM 47905 OH2 TIP3 239 -2.484 1.118 5.379 1.00 0.00 WT4 O ATOM 47906 H1 TIP3 239 -16.039 -6.039 -5.330 1.00 0.00 WT4 H ATOM 47907 H2 TIP3 239 -1.161 11.276 -9.090 1.00 0.00 WT4 H ATOM 47908 OH2 TIP3 256 4.959 0.297 4.995 1.00 0.00 WT4 O ATOM 47909 H1 TIP3 256 -11.846 15.937 6.827 1.00 0.00 WT4 H ATOM 47910 H2 TIP3 256 13.435 -9.391 1.873 1.00 0.00 WT4 H ATOM 47911 OH2 TIP3 407 1.274 -3.914 2.866 1.00 0.00 WT4 O ATOM 47912 H1 TIP3 407 20.534 -7.553 10.718 1.00 0.00 WT4 H ATOM 47913 H2 TIP3 407 -1.954 -5.130 -5.606 1.00 0.00 WT4 H ATOM 47914 OH2 TIP3 430 3.744 -1.435 -0.997 1.00 0.00 WT4 O ATOM 47915 H1 TIP3 430 -3.294 -0.216 5.888 1.00 0.00 WT4 H ATOM 47916 H2 TIP3 430 -2.629 -1.555 -16.460 1.00 0.00 WT4 H ATOM 47917 OH2 TIP3 443 1.316 -0.747 -4.085 1.00 0.00 WT4 O ATOM 47918 H1 TIP3 443 -2.357 10.219 -3.133 1.00 0.00 WT4 H ATOM 47919 H2 TIP3 443 -8.973 -1.944 -7.913 1.00 0.00 WT4 H ATOM 47920 OH2 TIP3 444 -0.919 0.072 -5.359 1.00 0.00 WT4 O ATOM 47921 H1 TIP3 444 31.091 -20.483 -10.396 1.00 0.00 WT4 H ATOM 47922 H2 TIP3 444 -1.170 1.688 -5.620 1.00 0.00 WT4 H ATOM 47923 OH2 TIP3 447 0.583 -1.368 7.475 1.00 0.00 WT4 O ATOM 47924 H1 TIP3 447 0.987 -0.898 1.859 1.00 0.00 WT4 H ATOM 47925 H2 TIP3 447 12.221 -6.939 -16.360 1.00 0.00 WT4 H ATOM 47926 OH2 TIP3 449 0.885 -0.729 1.926 1.00 0.00 WT4 O ATOM 47927 H1 TIP3 449 4.683 -9.046 2.522 1.00 0.00 WT4 H ATOM 47928 H2 TIP3 449 -2.574 1.527 -0.149 1.00 0.00 WT4 H ATOM 47929 OH2 TIP3 450 -2.035 -2.130 1.423 1.00 0.00 WT4 O ATOM 47930 H1 TIP3 450 -9.178 -3.168 -0.201 1.00 0.00 WT4 H ATOM 47931 H2 TIP3 450 -0.846 9.317 -8.916 1.00 0.00 WT4 H ATOM 47932 OH2 TIP3 465 3.219 3.142 6.551 1.00 0.00 WT4 O ATOM 47933 H1 TIP3 465 -23.722 -0.313 7.898 1.00 0.00 WT4 H ATOM 47934 H2 TIP3 465 16.466 -18.715 15.493 1.00 0.00 WT4 H ATOM 47935 OH2 TIP3 466 -3.749 0.115 -1.861 1.00 0.00 WT4 O ATOM 47936 H1 TIP3 466 -4.829 -5.534 -11.594 1.00 0.00 WT4 H ATOM 47937 H2 TIP3 466 -1.205 5.192 11.586 1.00 0.00 WT4 H ATOM 47938 OH2 TIP3 467 -4.723 -2.991 -3.767 1.00 0.00 WT4 O ATOM 47939 H1 TIP3 467 -23.186 -5.955 12.586 1.00 0.00 WT4 H ATOM 47940 H2 TIP3 467 -15.731 -8.486 7.592 1.00 0.00 WT4 H ATOM 47941 OH2 TIP3 469 2.685 -2.425 -3.437 1.00 0.00 WT4 O ATOM 47942 H1 TIP3 469 2.005 -9.588 3.551 1.00 0.00 WT4 H ATOM 47943 H2 TIP3 469 7.859 9.422 -2.218 1.00 0.00 WT4 H ATOM 47944 OH2 TIP3 478 -4.815 0.514 1.684 1.00 0.00 WT4 O ATOM 47945 H1 TIP3 478 0.023 10.266 11.748 1.00 0.00 WT4 H ATOM 47946 H2 TIP3 478 4.989 -7.540 -1.930 1.00 0.00 WT4 H ATOM 47947 OH2 TIP3 484 2.381 1.226 -1.681 1.00 0.00 WT4 O ATOM 47948 H1 TIP3 484 1.756 5.824 -1.865 1.00 0.00 WT4 H ATOM 47949 H2 TIP3 484 -7.016 2.027 8.309 1.00 0.00 WT4 H ATOM 47950 OH2 TIP3 485 0.900 -0.771 -9.442 1.00 0.00 WT4 O ATOM 47951 H1 TIP3 485 3.170 -9.041 -7.834 1.00 0.00 WT4 H ATOM 47952 H2 TIP3 485 4.308 2.666 -3.696 1.00 0.00 WT4 H ATOM 47953 OH2 TIP3 486 -0.634 -2.893 -3.032 1.00 0.00 WT4 O ATOM 47954 H1 TIP3 486 3.635 -5.884 20.572 1.00 0.00 WT4 H ATOM 47955 H2 TIP3 486 -15.459 0.974 10.154 1.00 0.00 WT4 H ATOM 47956 OH2 TIP3 488 1.612 1.562 -1.177 1.00 0.00 WT4 O ATOM 47957 H1 TIP3 488 -9.376 -16.639 11.813 1.00 0.00 WT4 H ATOM 47958 H2 TIP3 488 1.462 21.491 6.744 1.00 0.00 WT4 H ATOM 47959 OH2 TIP3 489 -4.575 -1.353 -1.305 1.00 0.00 WT4 O ATOM 47960 H1 TIP3 489 12.700 -8.663 1.889 1.00 0.00 WT4 H ATOM 47961 H2 TIP3 489 -2.552 -10.079 21.335 1.00 0.00 WT4 H ATOM 47962 OH2 TIP3 492 4.158 3.647 -0.879 1.00 0.00 WT4 O ATOM 47963 H1 TIP3 492 0.141 1.240 4.584 1.00 0.00 WT4 H ATOM 47964 H2 TIP3 492 -18.518 -5.317 -1.137 1.00 0.00 WT4 H ATOM 47965 OH2 TIP3 503 6.832 6.241 0.766 1.00 0.00 WT4 O ATOM 47966 H1 TIP3 503 -16.130 -26.243 -0.122 1.00 0.00 WT4 H ATOM 47967 H2 TIP3 503 12.931 0.985 4.335 1.00 0.00 WT4 H ATOM 47968 OH2 TIP3 506 5.072 -4.204 -0.917 1.00 0.00 WT4 O ATOM 47969 H1 TIP3 506 27.202 -40.356 8.151 1.00 0.00 WT4 H ATOM 47970 H2 TIP3 506 -22.801 -14.297 -7.400 1.00 0.00 WT4 H ATOM 47971 OH2 TIP3 507 -3.555 -6.978 5.303 1.00 0.00 WT4 O ATOM 47972 H1 TIP3 507 -2.512 -1.753 3.953 1.00 0.00 WT4 H ATOM 47973 H2 TIP3 507 -1.042 -0.893 6.883 1.00 0.00 WT4 H ATOM 47974 OH2 TIP3 508 -0.220 -5.388 1.418 1.00 0.00 WT4 O ATOM 47975 H1 TIP3 508 5.251 5.842 -10.543 1.00 0.00 WT4 H ATOM 47976 H2 TIP3 508 -10.251 -24.863 5.386 1.00 0.00 WT4 H ATOM 47977 OH2 TIP3 509 6.234 5.707 3.434 1.00 0.00 WT4 O ATOM 47978 H1 TIP3 509 9.543 28.699 7.405 1.00 0.00 WT4 H ATOM 47979 H2 TIP3 509 8.897 -4.473 -7.241 1.00 0.00 WT4 H ATOM 47980 OH2 TIP3 511 -6.953 3.938 -0.362 1.00 0.00 WT4 O ATOM 47981 H1 TIP3 511 -35.299 -21.584 3.495 1.00 0.00 WT4 H ATOM 47982 H2 TIP3 511 6.998 8.540 12.591 1.00 0.00 WT4 H ATOM 47983 OH2 TIP3 512 3.071 4.177 0.280 1.00 0.00 WT4 O ATOM 47984 H1 TIP3 512 2.826 -6.670 -10.620 1.00 0.00 WT4 H ATOM 47985 H2 TIP3 512 19.993 -14.194 -21.156 1.00 0.00 WT4 H ATOM 47986 OH2 TIP3 513 -5.515 4.712 6.015 1.00 0.00 WT4 O ATOM 47987 H1 TIP3 513 -12.921 5.561 -5.016 1.00 0.00 WT4 H ATOM 47988 H2 TIP3 513 -13.562 -0.382 15.954 1.00 0.00 WT4 H ATOM 47989 OH2 TIP3 517 1.588 0.468 -1.175 1.00 0.00 WT4 O ATOM 47990 H1 TIP3 517 4.701 -20.772 24.922 1.00 0.00 WT4 H ATOM 47991 H2 TIP3 517 -3.960 2.003 -10.580 1.00 0.00 WT4 H ATOM 47992 OH2 TIP3 528 4.245 -1.689 -2.026 1.00 0.00 WT4 O ATOM 47993 H1 TIP3 528 -8.049 -24.674 2.957 1.00 0.00 WT4 H ATOM 47994 H2 TIP3 528 16.773 3.257 -9.855 1.00 0.00 WT4 H ATOM 47995 OH2 TIP3 529 -4.432 9.832 -4.473 1.00 0.00 WT4 O ATOM 47996 H1 TIP3 529 -7.049 -0.848 -12.173 1.00 0.00 WT4 H ATOM 47997 H2 TIP3 529 -4.983 8.937 -1.523 1.00 0.00 WT4 H ATOM 47998 OH2 TIP3 530 3.176 -4.198 5.020 1.00 0.00 WT4 O ATOM 47999 H1 TIP3 530 23.556 30.899 -25.191 1.00 0.00 WT4 H ATOM 48000 H2 TIP3 530 16.958 -13.979 16.982 1.00 0.00 WT4 H ATOM 48001 OH2 TIP3 532 -4.151 -4.606 6.059 1.00 0.00 WT4 O ATOM 48002 H1 TIP3 532 -6.311 -3.547 7.732 1.00 0.00 WT4 H ATOM 48003 H2 TIP3 532 -13.118 26.649 0.537 1.00 0.00 WT4 H ATOM 48004 OH2 TIP3 533 -1.626 3.028 5.082 1.00 0.00 WT4 O ATOM 48005 H1 TIP3 533 -12.432 5.188 -5.576 1.00 0.00 WT4 H ATOM 48006 H2 TIP3 533 18.125 -20.653 -1.127 1.00 0.00 WT4 H ATOM 48007 OH2 TIP3 535 2.898 -1.995 6.308 1.00 0.00 WT4 O ATOM 48008 H1 TIP3 535 -35.087 -1.631 11.779 1.00 0.00 WT4 H ATOM 48009 H2 TIP3 535 -8.443 8.904 30.529 1.00 0.00 WT4 H ATOM 48010 OH2 TIP3 543 -3.005 5.529 1.349 1.00 0.00 WT4 O ATOM 48011 H1 TIP3 543 15.396 6.423 -7.020 1.00 0.00 WT4 H ATOM 48012 H2 TIP3 543 -5.595 24.711 8.888 1.00 0.00 WT4 H ATOM 48013 OH2 TIP3 547 -5.852 -1.134 -0.614 1.00 0.00 WT4 O ATOM 48014 H1 TIP3 547 -10.844 -3.495 -4.808 1.00 0.00 WT4 H ATOM 48015 H2 TIP3 547 -7.220 4.198 0.687 1.00 0.00 WT4 H ATOM 48016 OH2 TIP3 549 1.158 2.396 -0.579 1.00 0.00 WT4 O ATOM 48017 H1 TIP3 549 -11.746 -11.553 9.506 1.00 0.00 WT4 H ATOM 48018 H2 TIP3 549 13.987 -10.710 -9.364 1.00 0.00 WT4 H ATOM 48019 OH2 TIP3 550 5.592 -6.357 -7.655 1.00 0.00 WT4 O ATOM 48020 H1 TIP3 550 -5.181 9.085 -9.548 1.00 0.00 WT4 H ATOM 48021 H2 TIP3 550 13.373 3.284 -2.207 1.00 0.00 WT4 H ATOM 48022 OH2 TIP3 551 0.010 2.814 0.077 1.00 0.00 WT4 O ATOM 48023 H1 TIP3 551 8.468 -2.381 11.633 1.00 0.00 WT4 H ATOM 48024 H2 TIP3 551 15.877 -14.927 -6.103 1.00 0.00 WT4 H ATOM 48025 OH2 TIP3 554 0.854 -0.807 0.361 1.00 0.00 WT4 O ATOM 48026 H1 TIP3 554 6.097 -9.606 -11.202 1.00 0.00 WT4 H ATOM 48027 H2 TIP3 554 17.122 -4.187 7.696 1.00 0.00 WT4 H ATOM 48028 OH2 TIP3 558 -3.027 0.030 -2.254 1.00 0.00 WT4 O ATOM 48029 H1 TIP3 558 17.059 4.420 16.295 1.00 0.00 WT4 H ATOM 48030 H2 TIP3 558 -16.076 2.867 -9.294 1.00 0.00 WT4 H ATOM 48031 OH2 TIP3 562 8.661 -1.175 -4.586 1.00 0.00 WT4 O ATOM 48032 H1 TIP3 562 -8.650 -3.209 -0.210 1.00 0.00 WT4 H ATOM 48033 H2 TIP3 562 -0.304 3.002 -9.745 1.00 0.00 WT4 H ATOM 48034 OH2 TIP3 568 -0.651 -1.628 2.747 1.00 0.00 WT4 O ATOM 48035 H1 TIP3 568 -11.563 -5.592 5.399 1.00 0.00 WT4 H ATOM 48036 H2 TIP3 568 4.697 -9.185 -8.585 1.00 0.00 WT4 H ATOM 48037 OH2 TIP3 572 10.168 5.944 6.893 1.00 0.00 WT4 O ATOM 48038 H1 TIP3 572 -7.859 19.482 -9.258 1.00 0.00 WT4 H ATOM 48039 H2 TIP3 572 -13.753 -2.005 21.507 1.00 0.00 WT4 H ATOM 48040 OH2 TIP3 573 -7.695 2.323 2.766 1.00 0.00 WT4 O ATOM 48041 H1 TIP3 573 -16.320 -7.111 -1.196 1.00 0.00 WT4 H ATOM 48042 H2 TIP3 573 -13.940 0.862 -0.596 1.00 0.00 WT4 H ATOM 48043 OH2 TIP3 574 -4.625 -8.648 -6.784 1.00 0.00 WT4 O ATOM 48044 H1 TIP3 574 6.763 -11.955 0.540 1.00 0.00 WT4 H ATOM 48045 H2 TIP3 574 -7.322 9.547 -9.215 1.00 0.00 WT4 H ATOM 48046 OH2 TIP3 575 3.402 1.037 0.624 1.00 0.00 WT4 O ATOM 48047 H1 TIP3 575 -5.317 -12.701 28.965 1.00 0.00 WT4 H ATOM 48048 H2 TIP3 575 -8.709 -2.888 -4.589 1.00 0.00 WT4 H ATOM 48049 OH2 TIP3 584 -5.651 2.854 5.762 1.00 0.00 WT4 O ATOM 48050 H1 TIP3 584 -37.169 0.439 28.929 1.00 0.00 WT4 H ATOM 48051 H2 TIP3 584 -15.711 2.774 7.004 1.00 0.00 WT4 H ATOM 48052 OH2 TIP3 591 7.318 1.538 -2.338 1.00 0.00 WT4 O ATOM 48053 H1 TIP3 591 -0.149 17.438 -21.657 1.00 0.00 WT4 H ATOM 48054 H2 TIP3 591 -3.535 -3.210 26.813 1.00 0.00 WT4 H ATOM 48055 OH2 TIP3 592 2.806 -3.401 -4.309 1.00 0.00 WT4 O ATOM 48056 H1 TIP3 592 2.707 -13.564 -5.980 1.00 0.00 WT4 H ATOM 48057 H2 TIP3 592 8.803 17.747 2.726 1.00 0.00 WT4 H ATOM 48058 OH2 TIP3 593 -0.905 4.901 4.666 1.00 0.00 WT4 O ATOM 48059 H1 TIP3 593 8.163 12.050 -8.969 1.00 0.00 WT4 H ATOM 48060 H2 TIP3 593 24.763 27.688 -35.912 1.00 0.00 WT4 H ATOM 48061 OH2 TIP3 594 -4.090 2.797 -1.438 1.00 0.00 WT4 O ATOM 48062 H1 TIP3 594 -2.602 -4.303 2.010 1.00 0.00 WT4 H ATOM 48063 H2 TIP3 594 -12.064 -3.970 -9.654 1.00 0.00 WT4 H ATOM 48064 OH2 TIP3 595 -0.815 -0.969 -7.124 1.00 0.00 WT4 O ATOM 48065 H1 TIP3 595 17.155 -9.173 1.298 1.00 0.00 WT4 H ATOM 48066 H2 TIP3 595 -10.370 2.173 -8.371 1.00 0.00 WT4 H ATOM 48067 OH2 TIP3 612 2.419 -2.582 -5.383 1.00 0.00 WT4 O ATOM 48068 H1 TIP3 612 8.001 -7.977 9.768 1.00 0.00 WT4 H ATOM 48069 H2 TIP3 612 25.798 -0.381 4.359 1.00 0.00 WT4 H ATOM 48070 OH2 TIP3 613 1.287 1.164 4.018 1.00 0.00 WT4 O ATOM 48071 H1 TIP3 613 -2.027 -1.669 9.030 1.00 0.00 WT4 H ATOM 48072 H2 TIP3 613 -2.968 -4.779 7.878 1.00 0.00 WT4 H ATOM 48073 OH2 TIP3 617 -4.764 -0.441 -5.546 1.00 0.00 WT4 O ATOM 48074 H1 TIP3 617 -4.869 7.585 -0.701 1.00 0.00 WT4 H ATOM 48075 H2 TIP3 617 9.953 -5.597 -5.435 1.00 0.00 WT4 H ATOM 48076 OH2 TIP3 632 1.005 0.605 -7.030 1.00 0.00 WT4 O ATOM 48077 H1 TIP3 632 -11.118 -10.417 -10.450 1.00 0.00 WT4 H ATOM 48078 H2 TIP3 632 -3.954 -16.887 -2.359 1.00 0.00 WT4 H ATOM 48079 OH2 TIP3 634 -2.144 6.474 -3.509 1.00 0.00 WT4 O ATOM 48080 H1 TIP3 634 2.532 -4.474 34.812 1.00 0.00 WT4 H ATOM 48081 H2 TIP3 634 2.217 7.439 -33.643 1.00 0.00 WT4 H ATOM 48082 OH2 TIP3 635 -3.011 -10.108 -5.737 1.00 0.00 WT4 O ATOM 48083 H1 TIP3 635 6.959 -7.394 -5.061 1.00 0.00 WT4 H ATOM 48084 H2 TIP3 635 -2.020 -3.257 3.944 1.00 0.00 WT4 H ATOM 48085 OH2 TIP3 638 0.413 4.012 -7.003 1.00 0.00 WT4 O ATOM 48086 H1 TIP3 638 11.771 7.537 13.247 1.00 0.00 WT4 H ATOM 48087 H2 TIP3 638 -6.836 10.035 4.034 1.00 0.00 WT4 H ATOM 48088 OH2 TIP3 640 -2.654 -8.018 3.655 1.00 0.00 WT4 O ATOM 48089 H1 TIP3 640 -11.172 -4.563 -3.613 1.00 0.00 WT4 H ATOM 48090 H2 TIP3 640 4.960 15.920 1.074 1.00 0.00 WT4 H ATOM 48091 OH2 TIP3 656 4.965 -0.721 -2.038 1.00 0.00 WT4 O ATOM 48092 H1 TIP3 656 -10.529 29.623 -23.099 1.00 0.00 WT4 H ATOM 48093 H2 TIP3 656 10.412 -11.005 5.007 1.00 0.00 WT4 H ATOM 48094 OH2 TIP3 659 -5.498 -5.588 2.707 1.00 0.00 WT4 O ATOM 48095 H1 TIP3 659 0.180 15.124 13.901 1.00 0.00 WT4 H ATOM 48096 H2 TIP3 659 -1.670 9.891 9.337 1.00 0.00 WT4 H ATOM 48097 OH2 TIP3 660 -1.905 -2.072 1.302 1.00 0.00 WT4 O ATOM 48098 H1 TIP3 660 -2.052 -1.246 1.267 1.00 0.00 WT4 H ATOM 48099 H2 TIP3 660 -2.451 -1.801 0.596 1.00 0.00 WT4 H ATOM 48100 OH2 TIP3 682 0.415 -2.777 -1.393 1.00 0.00 WT4 O ATOM 48101 H1 TIP3 682 5.435 -6.194 -0.846 1.00 0.00 WT4 H ATOM 48102 H2 TIP3 682 -2.767 -12.943 -1.364 1.00 0.00 WT4 H ATOM 48103 OH2 TIP3 695 2.872 3.442 4.576 1.00 0.00 WT4 O ATOM 48104 H1 TIP3 695 8.167 -7.468 -15.491 1.00 0.00 WT4 H ATOM 48105 H2 TIP3 695 2.973 5.810 8.108 1.00 0.00 WT4 H ATOM 48106 OH2 TIP3 697 8.536 9.899 -1.598 1.00 0.00 WT4 O ATOM 48107 H1 TIP3 697 -5.221 3.229 -7.787 1.00 0.00 WT4 H ATOM 48108 H2 TIP3 697 38.504 13.831 5.334 1.00 0.00 WT4 H ATOM 48109 OH2 TIP3 758 5.236 -0.940 1.942 1.00 0.00 WT4 O ATOM 48110 H1 TIP3 758 23.992 13.964 -9.331 1.00 0.00 WT4 H ATOM 48111 H2 TIP3 758 -17.850 21.218 1.725 1.00 0.00 WT4 H ATOM 48112 OH2 TIP3 805 -0.561 0.180 10.336 1.00 0.00 WT4 O ATOM 48113 H1 TIP3 805 -5.464 -19.798 -16.093 1.00 0.00 WT4 H ATOM 48114 H2 TIP3 805 -1.848 4.393 12.488 1.00 0.00 WT4 H ATOM 48115 OH2 TIP3 822 0.199 4.471 1.618 1.00 0.00 WT4 O ATOM 48116 H1 TIP3 822 4.773 -7.697 1.489 1.00 0.00 WT4 H ATOM 48117 H2 TIP3 822 0.866 4.744 -4.481 1.00 0.00 WT4 H ATOM 48118 OH2 TIP3 848 4.436 -0.439 -5.543 1.00 0.00 WT4 O ATOM 48119 H1 TIP3 848 0.369 -0.317 2.036 1.00 0.00 WT4 H ATOM 48120 H2 TIP3 848 6.047 -8.555 -9.636 1.00 0.00 WT4 H ATOM 48121 OH2 TIP3 849 -0.202 -3.327 1.225 1.00 0.00 WT4 O ATOM 48122 H1 TIP3 849 -0.709 15.143 26.580 1.00 0.00 WT4 H ATOM 48123 H2 TIP3 849 -16.958 6.086 -6.405 1.00 0.00 WT4 H ATOM 48124 OH2 TIP3 866 3.496 -2.768 -7.283 1.00 0.00 WT4 O ATOM 48125 H1 TIP3 866 20.155 17.105 1.751 1.00 0.00 WT4 H ATOM 48126 H2 TIP3 866 -7.695 -5.644 -0.424 1.00 0.00 WT4 H ATOM 48127 OH2 TIP3 867 -1.412 -2.244 1.965 1.00 0.00 WT4 O ATOM 48128 H1 TIP3 867 11.652 -1.668 -13.540 1.00 0.00 WT4 H ATOM 48129 H2 TIP3 867 -23.179 -2.892 3.203 1.00 0.00 WT4 H ATOM 48130 OH2 TIP3 887 1.865 -2.329 2.976 1.00 0.00 WT4 O ATOM 48131 H1 TIP3 887 -11.099 1.747 24.903 1.00 0.00 WT4 H ATOM 48132 H2 TIP3 887 6.902 -3.192 -12.858 1.00 0.00 WT4 H ATOM 48133 OH2 TIP3 888 -1.173 0.678 -4.459 1.00 0.00 WT4 O ATOM 48134 H1 TIP3 888 -12.467 6.338 -6.804 1.00 0.00 WT4 H ATOM 48135 H2 TIP3 888 -4.835 -3.038 -8.962 1.00 0.00 WT4 H ATOM 48136 OH2 TIP3 891 -1.086 2.076 -0.221 1.00 0.00 WT4 O ATOM 48137 H1 TIP3 891 -4.790 9.644 31.017 1.00 0.00 WT4 H ATOM 48138 H2 TIP3 891 -0.659 1.975 1.974 1.00 0.00 WT4 H ATOM 48139 OH2 TIP3 906 -3.885 -1.801 -0.893 1.00 0.00 WT4 O ATOM 48140 H1 TIP3 906 1.465 -10.892 -19.165 1.00 0.00 WT4 H ATOM 48141 H2 TIP3 906 -20.940 -20.652 1.591 1.00 0.00 WT4 H ATOM 48142 OH2 TIP3 908 -0.271 4.579 0.399 1.00 0.00 WT4 O ATOM 48143 H1 TIP3 908 4.628 5.956 5.733 1.00 0.00 WT4 H ATOM 48144 H2 TIP3 908 3.450 -36.763 -3.298 1.00 0.00 WT4 H ATOM 48145 OH2 TIP3 912 -1.242 1.122 0.678 1.00 0.00 WT4 O ATOM 48146 H1 TIP3 912 4.039 -28.543 -4.427 1.00 0.00 WT4 H ATOM 48147 H2 TIP3 912 -5.256 -6.308 -9.830 1.00 0.00 WT4 H ATOM 48148 OH2 TIP3 924 -2.386 -1.077 1.389 1.00 0.00 WT4 O ATOM 48149 H1 TIP3 924 10.689 -9.926 -1.267 1.00 0.00 WT4 H ATOM 48150 H2 TIP3 924 -11.601 2.528 5.889 1.00 0.00 WT4 H ATOM 48151 OH2 TIP3 927 -1.580 4.553 -0.589 1.00 0.00 WT4 O ATOM 48152 H1 TIP3 927 12.034 5.056 -4.653 1.00 0.00 WT4 H ATOM 48153 H2 TIP3 927 -9.994 0.326 8.785 1.00 0.00 WT4 H ATOM 48154 OH2 TIP3 928 -1.374 0.661 5.239 1.00 0.00 WT4 O ATOM 48155 H1 TIP3 928 8.526 19.168 9.916 1.00 0.00 WT4 H ATOM 48156 H2 TIP3 928 -7.088 -4.457 -16.316 1.00 0.00 WT4 H ATOM 48157 OH2 TIP3 929 0.061 -3.648 -1.606 1.00 0.00 WT4 O ATOM 48158 H1 TIP3 929 2.484 -13.623 -4.155 1.00 0.00 WT4 H ATOM 48159 H2 TIP3 929 7.297 -3.249 -19.398 1.00 0.00 WT4 H ATOM 48160 OH2 TIP3 930 -2.157 7.208 -0.300 1.00 0.00 WT4 O ATOM 48161 H1 TIP3 930 -7.872 22.539 -4.288 1.00 0.00 WT4 H ATOM 48162 H2 TIP3 930 -14.513 -31.321 8.216 1.00 0.00 WT4 H ATOM 48163 OH2 TIP3 932 -2.208 4.428 -2.377 1.00 0.00 WT4 O ATOM 48164 H1 TIP3 932 9.805 21.375 3.085 1.00 0.00 WT4 H ATOM 48165 H2 TIP3 932 -11.188 -14.894 -11.224 1.00 0.00 WT4 H ATOM 48166 OH2 TIP3 942 -3.718 -0.568 5.732 1.00 0.00 WT4 O ATOM 48167 H1 TIP3 942 3.528 21.200 27.318 1.00 0.00 WT4 H ATOM 48168 H2 TIP3 942 -18.917 -1.486 -9.733 1.00 0.00 WT4 H ATOM 48169 OH2 TIP3 947 -1.773 -0.356 -0.725 1.00 0.00 WT4 O ATOM 48170 H1 TIP3 947 -0.659 17.233 -7.456 1.00 0.00 WT4 H ATOM 48171 H2 TIP3 947 -24.254 3.520 -21.726 1.00 0.00 WT4 H ATOM 48172 OH2 TIP3 948 6.191 4.453 1.826 1.00 0.00 WT4 O ATOM 48173 H1 TIP3 948 1.399 0.990 2.812 1.00 0.00 WT4 H ATOM 48174 H2 TIP3 948 -6.540 6.243 2.518 1.00 0.00 WT4 H ATOM 48175 OH2 TIP3 950 2.228 -6.167 0.003 1.00 0.00 WT4 O ATOM 48176 H1 TIP3 950 7.313 -7.427 3.531 1.00 0.00 WT4 H ATOM 48177 H2 TIP3 950 0.741 -7.711 -1.745 1.00 0.00 WT4 H ATOM 48178 OH2 TIP3 951 -3.917 2.000 5.879 1.00 0.00 WT4 O ATOM 48179 H1 TIP3 951 7.590 4.757 29.496 1.00 0.00 WT4 H ATOM 48180 H2 TIP3 951 -24.002 8.979 -21.889 1.00 0.00 WT4 H ATOM 48181 OH2 TIP3 952 2.128 3.461 2.879 1.00 0.00 WT4 O ATOM 48182 H1 TIP3 952 -2.468 -2.388 17.054 1.00 0.00 WT4 H ATOM 48183 H2 TIP3 952 8.194 8.680 -8.690 1.00 0.00 WT4 H ATOM 48184 OH2 TIP3 953 -2.200 -5.123 3.818 1.00 0.00 WT4 O ATOM 48185 H1 TIP3 953 2.998 -4.682 1.882 1.00 0.00 WT4 H ATOM 48186 H2 TIP3 953 24.076 29.427 -16.945 1.00 0.00 WT4 H ATOM 48187 OH2 TIP3 956 -3.009 -2.459 7.413 1.00 0.00 WT4 O ATOM 48188 H1 TIP3 956 1.930 -3.369 2.741 1.00 0.00 WT4 H ATOM 48189 H2 TIP3 956 -17.445 -5.421 24.589 1.00 0.00 WT4 H ATOM 48190 OH2 TIP3 964 -2.340 -2.231 3.963 1.00 0.00 WT4 O ATOM 48191 H1 TIP3 964 9.494 -1.189 7.205 1.00 0.00 WT4 H ATOM 48192 H2 TIP3 964 -16.300 -0.267 -2.576 1.00 0.00 WT4 H ATOM 48193 OH2 TIP3 970 3.334 2.029 1.580 1.00 0.00 WT4 O ATOM 48194 H1 TIP3 970 10.788 24.177 6.883 1.00 0.00 WT4 H ATOM 48195 H2 TIP3 970 2.234 3.879 2.918 1.00 0.00 WT4 H ATOM 48196 OH2 TIP3 972 -0.975 -1.349 1.414 1.00 0.00 WT4 O ATOM 48197 H1 TIP3 972 -6.508 13.496 -7.292 1.00 0.00 WT4 H ATOM 48198 H2 TIP3 972 12.018 -20.966 -1.815 1.00 0.00 WT4 H ATOM 48199 OH2 TIP3 974 -3.346 -0.429 10.980 1.00 0.00 WT4 O ATOM 48200 H1 TIP3 974 3.899 14.499 16.117 1.00 0.00 WT4 H ATOM 48201 H2 TIP3 974 -20.226 1.092 12.790 1.00 0.00 WT4 H ATOM 48202 OH2 TIP3 985 -6.337 5.544 -2.026 1.00 0.00 WT4 O ATOM 48203 H1 TIP3 985 2.244 -12.229 -5.055 1.00 0.00 WT4 H ATOM 48204 H2 TIP3 985 -0.551 15.420 3.819 1.00 0.00 WT4 H ATOM 48205 OH2 TIP3 987 -3.398 3.353 -7.232 1.00 0.00 WT4 O ATOM 48206 H1 TIP3 987 -3.155 2.442 -2.869 1.00 0.00 WT4 H ATOM 48207 H2 TIP3 987 -0.322 4.698 -7.270 1.00 0.00 WT4 H ATOM 48208 OH2 TIP3 988 -0.557 -6.116 2.514 1.00 0.00 WT4 O ATOM 48209 H1 TIP3 988 -14.995 -22.047 9.478 1.00 0.00 WT4 H ATOM 48210 H2 TIP3 988 -8.646 -19.031 -8.046 1.00 0.00 WT4 H ATOM 48211 OH2 TIP3 992 -1.706 0.591 0.463 1.00 0.00 WT4 O ATOM 48212 H1 TIP3 992 -11.912 9.262 -3.131 1.00 0.00 WT4 H ATOM 48213 H2 TIP3 992 8.558 -2.594 9.660 1.00 0.00 WT4 H ATOM 48214 OH2 TIP3 993 -6.310 2.413 0.992 1.00 0.00 WT4 O ATOM 48215 H1 TIP3 993 0.375 1.392 -4.611 1.00 0.00 WT4 H ATOM 48216 H2 TIP3 993 -8.569 -5.556 2.799 1.00 0.00 WT4 H ATOM 48217 OH2 TIP3 995 3.405 0.118 4.390 1.00 0.00 WT4 O ATOM 48218 H1 TIP3 995 -4.443 -18.117 -4.844 1.00 0.00 WT4 H ATOM 48219 H2 TIP3 995 8.200 8.503 10.133 1.00 0.00 WT4 H ATOM 48220 OH2 TIP3 1007 1.128 4.785 0.647 1.00 0.00 WT4 O ATOM 48221 H1 TIP3 1007 19.450 -14.992 -1.253 1.00 0.00 WT4 H ATOM 48222 H2 TIP3 1007 -15.226 -3.020 22.018 1.00 0.00 WT4 H ATOM 48223 OH2 TIP3 1010 -5.748 -0.370 3.872 1.00 0.00 WT4 O ATOM 48224 H1 TIP3 1010 -3.687 10.145 -22.133 1.00 0.00 WT4 H ATOM 48225 H2 TIP3 1010 -4.245 12.542 -23.803 1.00 0.00 WT4 H ATOM 48226 OH2 TIP3 1011 10.417 -0.206 5.409 1.00 0.00 WT4 O ATOM 48227 H1 TIP3 1011 -28.839 -12.143 4.319 1.00 0.00 WT4 H ATOM 48228 H2 TIP3 1011 8.172 -1.692 -7.922 1.00 0.00 WT4 H ATOM 48229 OH2 TIP3 1013 -7.842 6.719 7.732 1.00 0.00 WT4 O ATOM 48230 H1 TIP3 1013 -12.446 -3.459 10.529 1.00 0.00 WT4 H ATOM 48231 H2 TIP3 1013 -18.759 -4.777 -5.347 1.00 0.00 WT4 H ATOM 48232 OH2 TIP3 1014 0.977 -4.536 -0.364 1.00 0.00 WT4 O ATOM 48233 H1 TIP3 1014 16.091 -6.382 2.275 1.00 0.00 WT4 H ATOM 48234 H2 TIP3 1014 20.483 -7.825 -0.614 1.00 0.00 WT4 H ATOM 48235 OH2 TIP3 1017 2.882 -2.914 3.731 1.00 0.00 WT4 O ATOM 48236 H1 TIP3 1017 16.470 3.893 -6.877 1.00 0.00 WT4 H ATOM 48237 H2 TIP3 1017 2.222 -2.861 3.207 1.00 0.00 WT4 H ATOM 48238 OH2 TIP3 1018 -2.161 6.440 2.602 1.00 0.00 WT4 O ATOM 48239 H1 TIP3 1018 7.457 24.777 -5.161 1.00 0.00 WT4 H ATOM 48240 H2 TIP3 1018 15.510 -7.151 6.299 1.00 0.00 WT4 H ATOM 48241 OH2 TIP3 1027 2.818 10.880 1.213 1.00 0.00 WT4 O ATOM 48242 H1 TIP3 1027 -19.045 -2.186 19.695 1.00 0.00 WT4 H ATOM 48243 H2 TIP3 1027 16.977 -11.660 5.434 1.00 0.00 WT4 H ATOM 48244 OH2 TIP3 1032 4.057 -4.310 0.754 1.00 0.00 WT4 O ATOM 48245 H1 TIP3 1032 7.087 -11.055 -1.302 1.00 0.00 WT4 H ATOM 48246 H2 TIP3 1032 -3.423 -14.946 -6.556 1.00 0.00 WT4 H ATOM 48247 OH2 TIP3 1033 5.759 1.077 3.491 1.00 0.00 WT4 O ATOM 48248 H1 TIP3 1033 -9.861 -11.610 -8.925 1.00 0.00 WT4 H ATOM 48249 H2 TIP3 1033 -12.034 13.125 -1.702 1.00 0.00 WT4 H ATOM 48250 OH2 TIP3 1040 -1.597 4.140 -1.441 1.00 0.00 WT4 O ATOM 48251 H1 TIP3 1040 -4.440 -2.978 2.734 1.00 0.00 WT4 H ATOM 48252 H2 TIP3 1040 1.086 -3.848 -2.785 1.00 0.00 WT4 H ATOM 48253 OH2 TIP3 1051 -4.631 -0.893 0.929 1.00 0.00 WT4 O ATOM 48254 H1 TIP3 1051 -21.119 -13.331 -15.042 1.00 0.00 WT4 H ATOM 48255 H2 TIP3 1051 8.739 8.057 -4.937 1.00 0.00 WT4 H ATOM 48256 OH2 TIP3 1053 -2.274 2.119 3.288 1.00 0.00 WT4 O ATOM 48257 H1 TIP3 1053 35.528 -31.482 9.923 1.00 0.00 WT4 H ATOM 48258 H2 TIP3 1053 -0.874 13.583 15.227 1.00 0.00 WT4 H ATOM 48259 OH2 TIP3 1054 2.653 -1.701 -0.893 1.00 0.00 WT4 O ATOM 48260 H1 TIP3 1054 5.650 -0.590 3.431 1.00 0.00 WT4 H ATOM 48261 H2 TIP3 1054 -14.164 -7.144 -6.252 1.00 0.00 WT4 H ATOM 48262 OH2 TIP3 1055 4.502 -0.548 0.382 1.00 0.00 WT4 O ATOM 48263 H1 TIP3 1055 12.124 -22.358 2.661 1.00 0.00 WT4 H ATOM 48264 H2 TIP3 1055 2.724 1.644 -6.509 1.00 0.00 WT4 H ATOM 48265 OH2 TIP3 1058 3.210 0.078 0.299 1.00 0.00 WT4 O ATOM 48266 H1 TIP3 1058 -30.804 -26.270 6.122 1.00 0.00 WT4 H ATOM 48267 H2 TIP3 1058 -3.872 7.025 1.608 1.00 0.00 WT4 H ATOM 48268 OH2 TIP3 1059 -3.994 -9.247 2.108 1.00 0.00 WT4 O ATOM 48269 H1 TIP3 1059 -4.254 -6.669 1.659 1.00 0.00 WT4 H ATOM 48270 H2 TIP3 1059 11.150 -1.862 16.273 1.00 0.00 WT4 H ATOM 48271 OH2 TIP3 1076 -1.152 -3.063 -4.501 1.00 0.00 WT4 O ATOM 48272 H1 TIP3 1076 -10.435 -12.772 -16.148 1.00 0.00 WT4 H ATOM 48273 H2 TIP3 1076 -6.180 4.431 -5.691 1.00 0.00 WT4 H ATOM 48274 OH2 TIP3 1094 -5.217 7.448 -1.501 1.00 0.00 WT4 O ATOM 48275 H1 TIP3 1094 7.510 -1.171 2.322 1.00 0.00 WT4 H ATOM 48276 H2 TIP3 1094 -1.310 2.479 6.184 1.00 0.00 WT4 H ATOM 48277 OH2 TIP3 1096 1.075 -2.416 0.870 1.00 0.00 WT4 O ATOM 48278 H1 TIP3 1096 -10.609 -11.062 -10.636 1.00 0.00 WT4 H ATOM 48279 H2 TIP3 1096 -1.659 -10.487 -10.735 1.00 0.00 WT4 H ATOM 48280 OH2 TIP3 1098 0.899 -1.019 -1.410 1.00 0.00 WT4 O ATOM 48281 H1 TIP3 1098 4.181 7.470 -7.516 1.00 0.00 WT4 H ATOM 48282 H2 TIP3 1098 3.234 -17.863 9.847 1.00 0.00 WT4 H ATOM 48283 OH2 TIP3 1112 -0.738 -4.441 -0.574 1.00 0.00 WT4 O ATOM 48284 H1 TIP3 1112 7.198 4.088 42.066 1.00 0.00 WT4 H ATOM 48285 H2 TIP3 1112 -18.989 -23.266 -3.953 1.00 0.00 WT4 H ATOM 48286 OH2 TIP3 1115 -2.867 1.373 2.730 1.00 0.00 WT4 O ATOM 48287 H1 TIP3 1115 4.147 -9.362 -7.571 1.00 0.00 WT4 H ATOM 48288 H2 TIP3 1115 -9.112 3.623 4.856 1.00 0.00 WT4 H ATOM 48289 OH2 TIP3 1117 -2.528 -5.189 -8.082 1.00 0.00 WT4 O ATOM 48290 H1 TIP3 1117 -15.469 -12.337 8.204 1.00 0.00 WT4 H ATOM 48291 H2 TIP3 1117 -3.853 -10.884 1.467 1.00 0.00 WT4 H ATOM 48292 OH2 TIP3 1119 -6.402 0.259 -5.351 1.00 0.00 WT4 O ATOM 48293 H1 TIP3 1119 -10.338 -8.644 -1.005 1.00 0.00 WT4 H ATOM 48294 H2 TIP3 1119 8.702 0.793 0.738 1.00 0.00 WT4 H ATOM 48295 OH2 TIP3 1122 2.580 3.128 -8.938 1.00 0.00 WT4 O ATOM 48296 H1 TIP3 1122 -32.189 -3.547 -1.784 1.00 0.00 WT4 H ATOM 48297 H2 TIP3 1122 21.055 -7.888 4.159 1.00 0.00 WT4 H ATOM 48298 OH2 TIP3 1137 1.517 0.516 2.796 1.00 0.00 WT4 O ATOM 48299 H1 TIP3 1137 -28.307 13.172 24.278 1.00 0.00 WT4 H ATOM 48300 H2 TIP3 1137 12.279 -0.450 6.163 1.00 0.00 WT4 H ATOM 48301 OH2 TIP3 1201 -4.624 2.434 -0.489 1.00 0.00 WT4 O ATOM 48302 H1 TIP3 1201 -3.851 -7.106 -16.009 1.00 0.00 WT4 H ATOM 48303 H2 TIP3 1201 -14.721 12.545 -9.042 1.00 0.00 WT4 H ATOM 48304 OH2 TIP3 1301 -0.589 1.771 6.150 1.00 0.00 WT4 O ATOM 48305 H1 TIP3 1301 14.318 31.693 -16.464 1.00 0.00 WT4 H ATOM 48306 H2 TIP3 1301 -18.314 -14.707 -3.366 1.00 0.00 WT4 H ATOM 48307 OH2 TIP3 1305 -0.562 1.663 -7.400 1.00 0.00 WT4 O ATOM 48308 H1 TIP3 1305 -3.478 -14.095 -20.294 1.00 0.00 WT4 H ATOM 48309 H2 TIP3 1305 3.044 7.758 -4.041 1.00 0.00 WT4 H ATOM 48310 OH2 TIP3 1307 -4.501 -2.046 -1.586 1.00 0.00 WT4 O ATOM 48311 H1 TIP3 1307 6.780 38.004 -2.165 1.00 0.00 WT4 H ATOM 48312 H2 TIP3 1307 -7.759 -13.122 -7.658 1.00 0.00 WT4 H ATOM 48313 OH2 TIP3 1308 2.933 -3.904 0.641 1.00 0.00 WT4 O ATOM 48314 H1 TIP3 1308 12.814 5.305 20.266 1.00 0.00 WT4 H ATOM 48315 H2 TIP3 1308 4.430 -4.376 0.782 1.00 0.00 WT4 H ATOM 48316 OH2 TIP3 1322 -0.038 0.766 1.794 1.00 0.00 WT4 O ATOM 48317 H1 TIP3 1322 22.721 -5.217 10.978 1.00 0.00 WT4 H ATOM 48318 H2 TIP3 1322 16.864 -4.773 -46.592 1.00 0.00 WT4 H ATOM 48319 OH2 TIP3 1327 -4.974 4.824 -6.598 1.00 0.00 WT4 O ATOM 48320 H1 TIP3 1327 8.101 1.524 -1.227 1.00 0.00 WT4 H ATOM 48321 H2 TIP3 1327 -0.094 5.395 4.256 1.00 0.00 WT4 H ATOM 48322 OH2 TIP3 1328 -5.171 3.353 -3.803 1.00 0.00 WT4 O ATOM 48323 H1 TIP3 1328 -4.999 10.483 -1.674 1.00 0.00 WT4 H ATOM 48324 H2 TIP3 1328 -0.588 24.078 -24.122 1.00 0.00 WT4 H ATOM 48325 OH2 TIP3 1329 -1.774 1.166 4.636 1.00 0.00 WT4 O ATOM 48326 H1 TIP3 1329 -4.100 -8.183 -0.018 1.00 0.00 WT4 H ATOM 48327 H2 TIP3 1329 6.967 0.425 12.126 1.00 0.00 WT4 H ATOM 48328 OH2 TIP3 1330 -1.644 3.567 -2.712 1.00 0.00 WT4 O ATOM 48329 H1 TIP3 1330 -10.085 7.116 -4.032 1.00 0.00 WT4 H ATOM 48330 H2 TIP3 1330 9.298 6.186 16.065 1.00 0.00 WT4 H ATOM 48331 OH2 TIP3 1331 7.047 5.133 -11.196 1.00 0.00 WT4 O ATOM 48332 H1 TIP3 1331 -0.400 14.782 3.802 1.00 0.00 WT4 H ATOM 48333 H2 TIP3 1331 12.195 -8.491 -14.066 1.00 0.00 WT4 H ATOM 48334 OH2 TIP3 1333 2.839 2.327 -1.984 1.00 0.00 WT4 O ATOM 48335 H1 TIP3 1333 10.867 5.383 3.478 1.00 0.00 WT4 H ATOM 48336 H2 TIP3 1333 -7.145 -4.928 0.085 1.00 0.00 WT4 H ATOM 48337 OH2 TIP3 1344 0.156 1.738 -1.119 1.00 0.00 WT4 O ATOM 48338 H1 TIP3 1344 -15.339 4.848 -6.999 1.00 0.00 WT4 H ATOM 48339 H2 TIP3 1344 -5.032 3.435 10.742 1.00 0.00 WT4 H ATOM 48340 OH2 TIP3 1349 0.725 5.426 1.699 1.00 0.00 WT4 O ATOM 48341 H1 TIP3 1349 4.883 -5.209 -12.008 1.00 0.00 WT4 H ATOM 48342 H2 TIP3 1349 19.403 -2.365 36.924 1.00 0.00 WT4 H ATOM 48343 OH2 TIP3 1350 1.877 1.998 -3.330 1.00 0.00 WT4 O ATOM 48344 H1 TIP3 1350 -9.794 -2.116 1.679 1.00 0.00 WT4 H ATOM 48345 H2 TIP3 1350 -2.771 -0.448 -5.314 1.00 0.00 WT4 H ATOM 48346 OH2 TIP3 1351 6.951 2.604 6.596 1.00 0.00 WT4 O ATOM 48347 H1 TIP3 1351 10.288 1.203 -5.967 1.00 0.00 WT4 H ATOM 48348 H2 TIP3 1351 -0.704 -12.086 18.330 1.00 0.00 WT4 H ATOM 48349 OH2 TIP3 1352 -4.015 -6.071 -3.482 1.00 0.00 WT4 O ATOM 48350 H1 TIP3 1352 8.687 17.249 -21.013 1.00 0.00 WT4 H ATOM 48351 H2 TIP3 1352 -1.001 12.487 6.976 1.00 0.00 WT4 H ATOM 48352 OH2 TIP3 1354 -2.101 -5.317 -6.014 1.00 0.00 WT4 O ATOM 48353 H1 TIP3 1354 -39.672 29.308 4.576 1.00 0.00 WT4 H ATOM 48354 H2 TIP3 1354 7.173 4.681 -0.464 1.00 0.00 WT4 H ATOM 48355 OH2 TIP3 1367 5.323 1.322 1.255 1.00 0.00 WT4 O ATOM 48356 H1 TIP3 1367 0.578 0.835 -2.003 1.00 0.00 WT4 H ATOM 48357 H2 TIP3 1367 4.855 5.337 3.779 1.00 0.00 WT4 H ATOM 48358 OH2 TIP3 1368 7.146 4.728 -4.613 1.00 0.00 WT4 O ATOM 48359 H1 TIP3 1368 9.167 13.742 -0.388 1.00 0.00 WT4 H ATOM 48360 H2 TIP3 1368 -10.902 2.738 -4.216 1.00 0.00 WT4 H ATOM 48361 OH2 TIP3 1370 -1.169 3.320 -2.824 1.00 0.00 WT4 O ATOM 48362 H1 TIP3 1370 -4.537 -15.961 -5.431 1.00 0.00 WT4 H ATOM 48363 H2 TIP3 1370 -2.564 -3.513 -3.707 1.00 0.00 WT4 H ATOM 48364 OH2 TIP3 1371 0.379 -5.426 1.167 1.00 0.00 WT4 O ATOM 48365 H1 TIP3 1371 -3.279 -3.649 -2.147 1.00 0.00 WT4 H ATOM 48366 H2 TIP3 1371 0.335 -9.980 -0.919 1.00 0.00 WT4 H ATOM 48367 OH2 TIP3 1374 -3.941 -1.640 1.923 1.00 0.00 WT4 O ATOM 48368 H1 TIP3 1374 8.154 -20.519 20.470 1.00 0.00 WT4 H ATOM 48369 H2 TIP3 1374 -14.315 -2.995 -8.564 1.00 0.00 WT4 H ATOM 48370 OH2 TIP3 1375 1.915 -1.241 0.861 1.00 0.00 WT4 O ATOM 48371 H1 TIP3 1375 15.081 20.826 -4.994 1.00 0.00 WT4 H ATOM 48372 H2 TIP3 1375 0.562 -8.767 -0.757 1.00 0.00 WT4 H ATOM 48373 OH2 TIP3 1386 -0.673 -0.505 -1.692 1.00 0.00 WT4 O ATOM 48374 H1 TIP3 1386 -1.558 6.888 -13.816 1.00 0.00 WT4 H ATOM 48375 H2 TIP3 1386 -3.287 -3.863 2.149 1.00 0.00 WT4 H ATOM 48376 OH2 TIP3 1387 -0.443 4.503 2.644 1.00 0.00 WT4 O ATOM 48377 H1 TIP3 1387 6.616 1.924 13.004 1.00 0.00 WT4 H ATOM 48378 H2 TIP3 1387 -10.640 -7.195 2.823 1.00 0.00 WT4 H ATOM 48379 OH2 TIP3 1388 3.041 -3.154 4.083 1.00 0.00 WT4 O ATOM 48380 H1 TIP3 1388 -6.499 5.563 5.806 1.00 0.00 WT4 H ATOM 48381 H2 TIP3 1388 0.559 -1.955 7.071 1.00 0.00 WT4 H ATOM 48382 OH2 TIP3 1389 -0.958 -1.020 -0.504 1.00 0.00 WT4 O ATOM 48383 H1 TIP3 1389 3.381 -2.434 -5.890 1.00 0.00 WT4 H ATOM 48384 H2 TIP3 1389 -3.802 -19.279 8.594 1.00 0.00 WT4 H ATOM 48385 OH2 TIP3 1392 4.563 1.896 -7.309 1.00 0.00 WT4 O ATOM 48386 H1 TIP3 1392 1.924 4.042 -11.870 1.00 0.00 WT4 H ATOM 48387 H2 TIP3 1392 -5.206 -6.565 8.325 1.00 0.00 WT4 H ATOM 48388 OH2 TIP3 1393 -4.013 3.741 1.588 1.00 0.00 WT4 O ATOM 48389 H1 TIP3 1393 -2.609 3.305 7.216 1.00 0.00 WT4 H ATOM 48390 H2 TIP3 1393 8.822 -2.793 -12.922 1.00 0.00 WT4 H ATOM 48391 OH2 TIP3 1407 -1.817 -1.881 1.266 1.00 0.00 WT4 O ATOM 48392 H1 TIP3 1407 -17.392 -1.961 -11.040 1.00 0.00 WT4 H ATOM 48393 H2 TIP3 1407 12.066 9.031 9.985 1.00 0.00 WT4 H ATOM 48394 OH2 TIP3 1408 -1.113 -3.734 -0.400 1.00 0.00 WT4 O ATOM 48395 H1 TIP3 1408 1.469 10.686 5.340 1.00 0.00 WT4 H ATOM 48396 H2 TIP3 1408 -10.634 -7.503 7.039 1.00 0.00 WT4 H ATOM 48397 OH2 TIP3 1411 -6.724 5.485 0.911 1.00 0.00 WT4 O ATOM 48398 H1 TIP3 1411 -16.742 -11.955 0.186 1.00 0.00 WT4 H ATOM 48399 H2 TIP3 1411 2.224 9.687 -6.850 1.00 0.00 WT4 H ATOM 48400 OH2 TIP3 1412 7.093 -2.953 -1.471 1.00 0.00 WT4 O ATOM 48401 H1 TIP3 1412 5.701 -8.551 -3.201 1.00 0.00 WT4 H ATOM 48402 H2 TIP3 1412 5.653 12.636 5.795 1.00 0.00 WT4 H ATOM 48403 OH2 TIP3 1413 -4.049 0.858 -3.032 1.00 0.00 WT4 O ATOM 48404 H1 TIP3 1413 1.033 2.517 -16.548 1.00 0.00 WT4 H ATOM 48405 H2 TIP3 1413 -3.222 7.121 -1.388 1.00 0.00 WT4 H ATOM 48406 OH2 TIP3 1414 3.540 -4.974 6.845 1.00 0.00 WT4 O ATOM 48407 H1 TIP3 1414 2.262 10.266 19.529 1.00 0.00 WT4 H ATOM 48408 H2 TIP3 1414 3.177 -10.802 -20.050 1.00 0.00 WT4 H ATOM 48409 OH2 TIP3 1415 -2.072 -5.631 4.305 1.00 0.00 WT4 O ATOM 48410 H1 TIP3 1415 -23.761 -13.590 -11.259 1.00 0.00 WT4 H ATOM 48411 H2 TIP3 1415 -8.721 10.296 22.710 1.00 0.00 WT4 H ATOM 48412 OH2 TIP3 1418 3.316 -2.187 -2.421 1.00 0.00 WT4 O ATOM 48413 H1 TIP3 1418 11.182 -3.843 1.528 1.00 0.00 WT4 H ATOM 48414 H2 TIP3 1418 -14.827 -1.516 -3.509 1.00 0.00 WT4 H ATOM 48415 OH2 TIP3 1425 -1.854 7.853 2.419 1.00 0.00 WT4 O ATOM 48416 H1 TIP3 1425 -11.671 21.082 -2.730 1.00 0.00 WT4 H ATOM 48417 H2 TIP3 1425 1.596 -3.024 6.255 1.00 0.00 WT4 H ATOM 48418 OH2 TIP3 1427 -0.472 -0.886 4.372 1.00 0.00 WT4 O ATOM 48419 H1 TIP3 1427 8.320 10.578 -7.236 1.00 0.00 WT4 H ATOM 48420 H2 TIP3 1427 -11.280 10.025 13.305 1.00 0.00 WT4 H ATOM 48421 OH2 TIP3 1428 0.157 0.903 8.061 1.00 0.00 WT4 O ATOM 48422 H1 TIP3 1428 0.879 4.493 -4.701 1.00 0.00 WT4 H ATOM 48423 H2 TIP3 1428 0.734 0.035 -3.146 1.00 0.00 WT4 H ATOM 48424 OH2 TIP3 1429 7.089 0.181 -0.283 1.00 0.00 WT4 O ATOM 48425 H1 TIP3 1429 6.674 -2.963 -0.706 1.00 0.00 WT4 H ATOM 48426 H2 TIP3 1429 -4.416 4.698 -6.294 1.00 0.00 WT4 H ATOM 48427 OH2 TIP3 1430 -4.737 -1.621 0.377 1.00 0.00 WT4 O ATOM 48428 H1 TIP3 1430 7.252 3.707 1.438 1.00 0.00 WT4 H ATOM 48429 H2 TIP3 1430 -7.664 -2.986 -0.705 1.00 0.00 WT4 H ATOM 48430 OH2 TIP3 1431 -3.480 5.186 3.421 1.00 0.00 WT4 O ATOM 48431 H1 TIP3 1431 5.290 -4.821 -0.491 1.00 0.00 WT4 H ATOM 48432 H2 TIP3 1431 -28.058 -3.786 7.473 1.00 0.00 WT4 H ATOM 48433 OH2 TIP3 1433 0.154 -3.358 -3.180 1.00 0.00 WT4 O ATOM 48434 H1 TIP3 1433 -8.861 0.109 -4.628 1.00 0.00 WT4 H ATOM 48435 H2 TIP3 1433 -2.279 0.155 -8.906 1.00 0.00 WT4 H ATOM 48436 OH2 TIP3 1435 7.758 -0.483 -0.965 1.00 0.00 WT4 O ATOM 48437 H1 TIP3 1435 4.803 1.306 -7.739 1.00 0.00 WT4 H ATOM 48438 H2 TIP3 1435 10.473 -1.810 2.779 1.00 0.00 WT4 H ATOM 48439 OH2 TIP3 1450 3.664 -8.342 5.794 1.00 0.00 WT4 O ATOM 48440 H1 TIP3 1450 -6.501 -6.847 5.171 1.00 0.00 WT4 H ATOM 48441 H2 TIP3 1450 4.242 3.434 5.282 1.00 0.00 WT4 H ATOM 48442 OH2 TIP3 1451 -1.632 0.261 -1.975 1.00 0.00 WT4 O ATOM 48443 H1 TIP3 1451 -1.712 -4.086 2.039 1.00 0.00 WT4 H ATOM 48444 H2 TIP3 1451 -0.123 -6.645 21.370 1.00 0.00 WT4 H ATOM 48445 OH2 TIP3 1452 5.011 2.885 -2.137 1.00 0.00 WT4 O ATOM 48446 H1 TIP3 1452 3.541 4.370 -0.614 1.00 0.00 WT4 H ATOM 48447 H2 TIP3 1452 4.345 6.388 -3.605 1.00 0.00 WT4 H ATOM 48448 OH2 TIP3 1453 -3.794 1.566 -1.526 1.00 0.00 WT4 O ATOM 48449 H1 TIP3 1453 0.195 -5.434 4.433 1.00 0.00 WT4 H ATOM 48450 H2 TIP3 1453 0.969 -5.741 5.316 1.00 0.00 WT4 H ATOM 48451 OH2 TIP3 1454 -4.805 -5.408 -0.538 1.00 0.00 WT4 O ATOM 48452 H1 TIP3 1454 2.867 -2.534 8.151 1.00 0.00 WT4 H ATOM 48453 H2 TIP3 1454 8.588 5.474 -5.915 1.00 0.00 WT4 H ATOM 48454 OH2 TIP3 1457 0.361 -3.522 -1.330 1.00 0.00 WT4 O ATOM 48455 H1 TIP3 1457 11.663 -3.601 -5.069 1.00 0.00 WT4 H ATOM 48456 H2 TIP3 1457 -3.196 -7.054 6.729 1.00 0.00 WT4 H ATOM 48457 OH2 TIP3 1458 -0.886 -1.443 -6.819 1.00 0.00 WT4 O ATOM 48458 H1 TIP3 1458 -12.049 5.672 -3.481 1.00 0.00 WT4 H ATOM 48459 H2 TIP3 1458 8.804 -17.883 7.753 1.00 0.00 WT4 H ATOM 48460 OH2 TIP3 1474 -4.546 1.889 -5.634 1.00 0.00 WT4 O ATOM 48461 H1 TIP3 1474 20.152 2.068 23.609 1.00 0.00 WT4 H ATOM 48462 H2 TIP3 1474 8.113 -5.645 3.088 1.00 0.00 WT4 H ATOM 48463 OH2 TIP3 1478 2.214 -2.694 4.858 1.00 0.00 WT4 O ATOM 48464 H1 TIP3 1478 6.353 5.739 14.390 1.00 0.00 WT4 H ATOM 48465 H2 TIP3 1478 -6.729 1.444 -0.210 1.00 0.00 WT4 H ATOM 48466 OH2 TIP3 1480 2.343 1.766 -0.329 1.00 0.00 WT4 O ATOM 48467 H1 TIP3 1480 -5.892 7.391 2.595 1.00 0.00 WT4 H ATOM 48468 H2 TIP3 1480 3.334 4.805 0.499 1.00 0.00 WT4 H ATOM 48469 OH2 TIP3 1493 -2.358 1.639 4.730 1.00 0.00 WT4 O ATOM 48470 H1 TIP3 1493 -1.018 1.563 -3.498 1.00 0.00 WT4 H ATOM 48471 H2 TIP3 1493 -4.987 4.346 24.042 1.00 0.00 WT4 H ATOM 48472 OH2 TIP3 1494 1.258 -0.390 -0.576 1.00 0.00 WT4 O ATOM 48473 H1 TIP3 1494 10.829 -7.766 21.343 1.00 0.00 WT4 H ATOM 48474 H2 TIP3 1494 -15.500 -18.213 -33.729 1.00 0.00 WT4 H ATOM 48475 OH2 TIP3 1496 0.779 13.529 -1.547 1.00 0.00 WT4 O ATOM 48476 H1 TIP3 1496 -11.260 -2.070 0.354 1.00 0.00 WT4 H ATOM 48477 H2 TIP3 1496 -2.446 -0.023 -10.619 1.00 0.00 WT4 H ATOM 48478 OH2 TIP3 1497 -2.406 -2.301 -2.739 1.00 0.00 WT4 O ATOM 48479 H1 TIP3 1497 -1.571 0.408 1.118 1.00 0.00 WT4 H ATOM 48480 H2 TIP3 1497 2.299 -0.557 -15.072 1.00 0.00 WT4 H ATOM 48481 OH2 TIP3 1499 -4.996 2.975 -6.717 1.00 0.00 WT4 O ATOM 48482 H1 TIP3 1499 7.243 28.337 -16.256 1.00 0.00 WT4 H ATOM 48483 H2 TIP3 1499 -14.051 9.481 7.308 1.00 0.00 WT4 H ATOM 48484 OH2 TIP3 1512 0.906 3.425 4.293 1.00 0.00 WT4 O ATOM 48485 H1 TIP3 1512 1.102 -3.376 -15.812 1.00 0.00 WT4 H ATOM 48486 H2 TIP3 1512 5.147 -5.486 -4.777 1.00 0.00 WT4 H ATOM 48487 OH2 TIP3 1515 -3.481 -3.787 3.478 1.00 0.00 WT4 O ATOM 48488 H1 TIP3 1515 -7.976 3.440 -6.115 1.00 0.00 WT4 H ATOM 48489 H2 TIP3 1515 -4.320 -2.616 2.148 1.00 0.00 WT4 H ATOM 48490 OH2 TIP3 1519 2.624 0.954 -7.533 1.00 0.00 WT4 O ATOM 48491 H1 TIP3 1519 -3.804 2.147 -5.733 1.00 0.00 WT4 H ATOM 48492 H2 TIP3 1519 12.022 3.043 -1.755 1.00 0.00 WT4 H ATOM 48493 OH2 TIP3 1532 -5.402 6.196 3.715 1.00 0.00 WT4 O ATOM 48494 H1 TIP3 1532 6.303 0.063 1.520 1.00 0.00 WT4 H ATOM 48495 H2 TIP3 1532 4.336 -8.755 10.726 1.00 0.00 WT4 H ATOM 48496 OH2 TIP3 1551 -0.801 -3.816 1.186 1.00 0.00 WT4 O ATOM 48497 H1 TIP3 1551 -2.013 -7.351 -7.222 1.00 0.00 WT4 H ATOM 48498 H2 TIP3 1551 -1.923 -3.166 17.130 1.00 0.00 WT4 H ATOM 48499 OH2 TIP3 1558 -0.685 0.226 -5.017 1.00 0.00 WT4 O ATOM 48500 H1 TIP3 1558 -19.079 -16.453 -7.601 1.00 0.00 WT4 H ATOM 48501 H2 TIP3 1558 -7.441 14.554 14.181 1.00 0.00 WT4 H ATOM 48502 OH2 TIP3 1559 2.622 3.474 -1.964 1.00 0.00 WT4 O ATOM 48503 H1 TIP3 1559 7.191 -11.691 13.850 1.00 0.00 WT4 H ATOM 48504 H2 TIP3 1559 -11.706 17.226 7.572 1.00 0.00 WT4 H ATOM 48505 OH2 TIP3 1618 -5.561 -2.824 0.702 1.00 0.00 WT4 O ATOM 48506 H1 TIP3 1618 9.743 -2.512 -11.033 1.00 0.00 WT4 H ATOM 48507 H2 TIP3 1618 13.360 -3.527 -15.477 1.00 0.00 WT4 H ATOM 48508 OH2 TIP3 1621 1.661 4.799 3.079 1.00 0.00 WT4 O ATOM 48509 H1 TIP3 1621 -8.856 5.240 -6.237 1.00 0.00 WT4 H ATOM 48510 H2 TIP3 1621 -4.591 -8.639 -22.628 1.00 0.00 WT4 H ATOM 48511 OH2 TIP3 1707 4.386 -1.262 8.031 1.00 0.00 WT4 O ATOM 48512 H1 TIP3 1707 8.158 -15.815 8.659 1.00 0.00 WT4 H ATOM 48513 H2 TIP3 1707 15.536 -5.357 16.871 1.00 0.00 WT4 H ATOM 48514 OH2 TIP3 1712 0.643 -1.425 3.532 1.00 0.00 WT4 O ATOM 48515 H1 TIP3 1712 -2.886 -20.799 -17.605 1.00 0.00 WT4 H ATOM 48516 H2 TIP3 1712 -12.968 25.467 -18.151 1.00 0.00 WT4 H ATOM 48517 OH2 TIP3 1723 -0.513 -4.734 -0.086 1.00 0.00 WT4 O ATOM 48518 H1 TIP3 1723 -8.501 -3.187 10.136 1.00 0.00 WT4 H ATOM 48519 H2 TIP3 1723 0.755 27.251 2.606 1.00 0.00 WT4 H ATOM 48520 OH2 TIP3 1725 -1.300 1.734 4.254 1.00 0.00 WT4 O ATOM 48521 H1 TIP3 1725 17.462 13.274 27.342 1.00 0.00 WT4 H ATOM 48522 H2 TIP3 1725 -15.347 8.136 7.627 1.00 0.00 WT4 H ATOM 48523 OH2 TIP3 1730 -0.252 -1.371 -2.295 1.00 0.00 WT4 O ATOM 48524 H1 TIP3 1730 -0.974 4.465 -4.436 1.00 0.00 WT4 H ATOM 48525 H2 TIP3 1730 0.012 -7.384 -7.978 1.00 0.00 WT4 H ATOM 48526 OH2 TIP3 1733 -1.725 2.432 2.434 1.00 0.00 WT4 O ATOM 48527 H1 TIP3 1733 -0.016 -10.794 1.141 1.00 0.00 WT4 H ATOM 48528 H2 TIP3 1733 -10.220 4.623 6.822 1.00 0.00 WT4 H ATOM 48529 OH2 TIP3 1746 0.028 -0.682 -2.147 1.00 0.00 WT4 O ATOM 48530 H1 TIP3 1746 -11.902 4.487 -17.659 1.00 0.00 WT4 H ATOM 48531 H2 TIP3 1746 9.540 -3.764 -8.503 1.00 0.00 WT4 H ATOM 48532 OH2 TIP3 1748 4.513 -3.428 5.180 1.00 0.00 WT4 O ATOM 48533 H1 TIP3 1748 9.074 -13.752 -5.560 1.00 0.00 WT4 H ATOM 48534 H2 TIP3 1748 -12.021 -27.064 -29.386 1.00 0.00 WT4 H ATOM 48535 OH2 TIP3 1750 -0.067 -5.883 4.822 1.00 0.00 WT4 O ATOM 48536 H1 TIP3 1750 4.498 -5.067 -1.981 1.00 0.00 WT4 H ATOM 48537 H2 TIP3 1750 -0.521 -5.204 4.837 1.00 0.00 WT4 H ATOM 48538 OH2 TIP3 1764 1.305 -3.241 0.707 1.00 0.00 WT4 O ATOM 48539 H1 TIP3 1764 13.136 2.795 19.632 1.00 0.00 WT4 H ATOM 48540 H2 TIP3 1764 -8.678 -7.357 9.018 1.00 0.00 WT4 H ATOM 48541 OH2 TIP3 1766 2.265 -7.851 -3.359 1.00 0.00 WT4 O ATOM 48542 H1 TIP3 1766 -6.479 -3.769 -16.857 1.00 0.00 WT4 H ATOM 48543 H2 TIP3 1766 13.709 -11.724 0.979 1.00 0.00 WT4 H ATOM 48544 OH2 TIP3 1768 1.108 -8.027 -0.249 1.00 0.00 WT4 O ATOM 48545 H1 TIP3 1768 0.716 -11.490 2.064 1.00 0.00 WT4 H ATOM 48546 H2 TIP3 1768 -0.098 9.784 -0.963 1.00 0.00 WT4 H ATOM 48547 OH2 TIP3 1771 -3.067 -2.763 -4.218 1.00 0.00 WT4 O ATOM 48548 H1 TIP3 1771 9.009 7.798 12.643 1.00 0.00 WT4 H ATOM 48549 H2 TIP3 1771 5.244 -3.192 1.433 1.00 0.00 WT4 H ATOM 48550 OH2 TIP3 1773 -5.095 1.539 0.923 1.00 0.00 WT4 O ATOM 48551 H1 TIP3 1773 4.773 1.854 23.218 1.00 0.00 WT4 H ATOM 48552 H2 TIP3 1773 -14.989 -13.679 4.629 1.00 0.00 WT4 H ATOM 48553 OH2 TIP3 1788 -2.605 -5.058 0.647 1.00 0.00 WT4 O ATOM 48554 H1 TIP3 1788 -3.171 15.352 0.472 1.00 0.00 WT4 H ATOM 48555 H2 TIP3 1788 -4.702 -8.345 -0.625 1.00 0.00 WT4 H ATOM 48556 OH2 TIP3 1789 9.016 -2.340 4.751 1.00 0.00 WT4 O ATOM 48557 H1 TIP3 1789 3.478 -0.744 2.512 1.00 0.00 WT4 H ATOM 48558 H2 TIP3 1789 -6.971 0.431 -2.702 1.00 0.00 WT4 H ATOM 48559 OH2 TIP3 1790 0.467 -1.582 2.382 1.00 0.00 WT4 O ATOM 48560 H1 TIP3 1790 17.639 -22.840 15.814 1.00 0.00 WT4 H ATOM 48561 H2 TIP3 1790 8.197 7.610 -5.459 1.00 0.00 WT4 H ATOM 48562 OH2 TIP3 1795 -0.724 0.104 1.042 1.00 0.00 WT4 O ATOM 48563 H1 TIP3 1795 -0.348 -5.398 -10.767 1.00 0.00 WT4 H ATOM 48564 H2 TIP3 1795 -2.315 5.535 14.068 1.00 0.00 WT4 H ATOM 48565 OH2 TIP3 1796 1.283 0.388 0.671 1.00 0.00 WT4 O ATOM 48566 H1 TIP3 1796 16.476 -6.726 8.889 1.00 0.00 WT4 H ATOM 48567 H2 TIP3 1796 0.399 12.666 4.367 1.00 0.00 WT4 H ATOM 48568 OH2 TIP3 1810 1.903 -2.620 5.090 1.00 0.00 WT4 O ATOM 48569 H1 TIP3 1810 4.140 2.594 12.502 1.00 0.00 WT4 H ATOM 48570 H2 TIP3 1810 2.662 -14.673 -0.593 1.00 0.00 WT4 H ATOM 48571 OH2 TIP3 1811 -1.189 1.912 -5.399 1.00 0.00 WT4 O ATOM 48572 H1 TIP3 1811 11.033 -15.369 -3.711 1.00 0.00 WT4 H ATOM 48573 H2 TIP3 1811 -24.817 -4.318 1.273 1.00 0.00 WT4 H ATOM 48574 OH2 TIP3 1813 2.580 6.788 -1.201 1.00 0.00 WT4 O ATOM 48575 H1 TIP3 1813 -7.538 20.022 1.659 1.00 0.00 WT4 H ATOM 48576 H2 TIP3 1813 20.815 -17.617 -6.628 1.00 0.00 WT4 H ATOM 48577 OH2 TIP3 1814 -2.251 2.109 -4.542 1.00 0.00 WT4 O ATOM 48578 H1 TIP3 1814 10.516 5.398 -7.929 1.00 0.00 WT4 H ATOM 48579 H2 TIP3 1814 -6.523 15.963 11.621 1.00 0.00 WT4 H ATOM 48580 OH2 TIP3 1816 1.922 -0.664 -3.815 1.00 0.00 WT4 O ATOM 48581 H1 TIP3 1816 11.827 1.270 11.920 1.00 0.00 WT4 H ATOM 48582 H2 TIP3 1816 5.273 6.629 -17.491 1.00 0.00 WT4 H ATOM 48583 OH2 TIP3 1829 -3.842 -2.136 -0.343 1.00 0.00 WT4 O ATOM 48584 H1 TIP3 1829 0.460 -37.208 -21.116 1.00 0.00 WT4 H ATOM 48585 H2 TIP3 1829 -2.864 5.452 14.454 1.00 0.00 WT4 H ATOM 48586 OH2 TIP3 1830 -5.357 0.013 -2.663 1.00 0.00 WT4 O ATOM 48587 H1 TIP3 1830 -27.834 26.200 15.388 1.00 0.00 WT4 H ATOM 48588 H2 TIP3 1830 3.149 -15.391 28.765 1.00 0.00 WT4 H ATOM 48589 OH2 TIP3 1831 4.532 -1.359 -4.390 1.00 0.00 WT4 O ATOM 48590 H1 TIP3 1831 2.711 13.458 2.456 1.00 0.00 WT4 H ATOM 48591 H2 TIP3 1831 2.702 12.516 -6.741 1.00 0.00 WT4 H ATOM 48592 OH2 TIP3 1832 4.070 5.354 3.084 1.00 0.00 WT4 O ATOM 48593 H1 TIP3 1832 -6.330 -8.056 17.096 1.00 0.00 WT4 H ATOM 48594 H2 TIP3 1832 -18.403 0.434 13.296 1.00 0.00 WT4 H ATOM 48595 OH2 TIP3 1835 0.594 1.305 -6.058 1.00 0.00 WT4 O ATOM 48596 H1 TIP3 1835 -8.171 1.840 -11.555 1.00 0.00 WT4 H ATOM 48597 H2 TIP3 1835 -4.479 -21.021 17.589 1.00 0.00 WT4 H ATOM 48598 OH2 TIP3 1837 -0.688 2.102 -2.832 1.00 0.00 WT4 O ATOM 48599 H1 TIP3 1837 5.495 -10.716 12.829 1.00 0.00 WT4 H ATOM 48600 H2 TIP3 1837 -6.292 10.073 -1.617 1.00 0.00 WT4 H ATOM 48601 OH2 TIP3 1847 -5.575 2.405 -4.504 1.00 0.00 WT4 O ATOM 48602 H1 TIP3 1847 3.671 14.405 -15.328 1.00 0.00 WT4 H ATOM 48603 H2 TIP3 1847 1.804 4.836 7.200 1.00 0.00 WT4 H ATOM 48604 OH2 TIP3 1850 2.109 5.797 3.710 1.00 0.00 WT4 O ATOM 48605 H1 TIP3 1850 -0.324 -2.295 28.085 1.00 0.00 WT4 H ATOM 48606 H2 TIP3 1850 -15.860 -9.579 -7.723 1.00 0.00 WT4 H ATOM 48607 OH2 TIP3 1851 3.161 -5.234 -3.099 1.00 0.00 WT4 O ATOM 48608 H1 TIP3 1851 11.456 -4.500 2.385 1.00 0.00 WT4 H ATOM 48609 H2 TIP3 1851 -7.472 17.209 21.620 1.00 0.00 WT4 H ATOM 48610 OH2 TIP3 1852 2.910 -7.063 -4.465 1.00 0.00 WT4 O ATOM 48611 H1 TIP3 1852 3.281 12.979 18.012 1.00 0.00 WT4 H ATOM 48612 H2 TIP3 1852 5.021 -11.613 -2.123 1.00 0.00 WT4 H ATOM 48613 OH2 TIP3 1853 -1.110 -1.605 -2.470 1.00 0.00 WT4 O ATOM 48614 H1 TIP3 1853 -13.186 -0.114 2.067 1.00 0.00 WT4 H ATOM 48615 H2 TIP3 1853 -2.900 -2.524 -0.547 1.00 0.00 WT4 H ATOM 48616 OH2 TIP3 1856 0.213 -3.497 5.282 1.00 0.00 WT4 O ATOM 48617 H1 TIP3 1856 -0.503 -2.625 2.857 1.00 0.00 WT4 H ATOM 48618 H2 TIP3 1856 -9.855 -4.722 8.511 1.00 0.00 WT4 H ATOM 48619 OH2 TIP3 1870 -0.333 -2.978 1.184 1.00 0.00 WT4 O ATOM 48620 H1 TIP3 1870 9.893 -16.739 -9.511 1.00 0.00 WT4 H ATOM 48621 H2 TIP3 1870 -6.216 -4.259 -12.861 1.00 0.00 WT4 H ATOM 48622 OH2 TIP3 1871 0.696 -1.428 8.255 1.00 0.00 WT4 O ATOM 48623 H1 TIP3 1871 -21.524 -18.006 22.862 1.00 0.00 WT4 H ATOM 48624 H2 TIP3 1871 11.239 29.471 -1.838 1.00 0.00 WT4 H ATOM 48625 OH2 TIP3 1872 -1.193 2.646 4.085 1.00 0.00 WT4 O ATOM 48626 H1 TIP3 1872 1.337 -2.889 14.065 1.00 0.00 WT4 H ATOM 48627 H2 TIP3 1872 0.840 19.598 7.130 1.00 0.00 WT4 H ATOM 48628 OH2 TIP3 1873 -2.066 -3.364 -6.783 1.00 0.00 WT4 O ATOM 48629 H1 TIP3 1873 -16.097 2.131 1.831 1.00 0.00 WT4 H ATOM 48630 H2 TIP3 1873 -5.797 3.813 -20.176 1.00 0.00 WT4 H ATOM 48631 OH2 TIP3 1875 4.856 4.758 1.225 1.00 0.00 WT4 O ATOM 48632 H1 TIP3 1875 -24.912 -4.738 5.645 1.00 0.00 WT4 H ATOM 48633 H2 TIP3 1875 -14.542 0.418 -8.111 1.00 0.00 WT4 H ATOM 48634 OH2 TIP3 1881 -1.655 5.798 -1.545 1.00 0.00 WT4 O ATOM 48635 H1 TIP3 1881 -3.368 3.807 6.269 1.00 0.00 WT4 H ATOM 48636 H2 TIP3 1881 6.434 7.620 -1.883 1.00 0.00 WT4 H ATOM 48637 OH2 TIP3 1885 -2.844 1.801 3.577 1.00 0.00 WT4 O ATOM 48638 H1 TIP3 1885 23.521 1.328 -0.835 1.00 0.00 WT4 H ATOM 48639 H2 TIP3 1885 -21.439 2.218 4.765 1.00 0.00 WT4 H ATOM 48640 OH2 TIP3 1891 -4.841 1.663 -1.031 1.00 0.00 WT4 O ATOM 48641 H1 TIP3 1891 -6.298 25.896 -9.481 1.00 0.00 WT4 H ATOM 48642 H2 TIP3 1891 -2.469 25.006 -2.838 1.00 0.00 WT4 H ATOM 48643 OH2 TIP3 1894 6.129 -0.765 -7.905 1.00 0.00 WT4 O ATOM 48644 H1 TIP3 1894 7.875 14.624 5.433 1.00 0.00 WT4 H ATOM 48645 H2 TIP3 1894 17.122 -7.909 6.646 1.00 0.00 WT4 H ATOM 48646 OH2 TIP3 1895 -0.457 -8.695 -0.202 1.00 0.00 WT4 O ATOM 48647 H1 TIP3 1895 9.750 12.302 -11.709 1.00 0.00 WT4 H ATOM 48648 H2 TIP3 1895 7.985 -0.889 2.304 1.00 0.00 WT4 H ATOM 48649 OH2 TIP3 1896 -0.733 0.021 5.937 1.00 0.00 WT4 O ATOM 48650 H1 TIP3 1896 -10.528 -2.081 12.584 1.00 0.00 WT4 H ATOM 48651 H2 TIP3 1896 -0.244 11.751 2.754 1.00 0.00 WT4 H ATOM 48652 OH2 TIP3 1897 1.329 -3.910 0.676 1.00 0.00 WT4 O ATOM 48653 H1 TIP3 1897 26.496 -7.069 -10.912 1.00 0.00 WT4 H ATOM 48654 H2 TIP3 1897 -17.320 -2.316 6.456 1.00 0.00 WT4 H ATOM 48655 OH2 TIP3 1911 1.244 -0.089 3.939 1.00 0.00 WT4 O ATOM 48656 H1 TIP3 1911 11.842 8.701 6.479 1.00 0.00 WT4 H ATOM 48657 H2 TIP3 1911 -1.428 2.049 1.513 1.00 0.00 WT4 H ATOM 48658 OH2 TIP3 1912 -4.924 -1.021 4.425 1.00 0.00 WT4 O ATOM 48659 H1 TIP3 1912 -6.280 -1.101 2.169 1.00 0.00 WT4 H ATOM 48660 H2 TIP3 1912 -11.782 0.427 -2.331 1.00 0.00 WT4 H ATOM 48661 OH2 TIP3 1914 -5.729 -2.234 -4.012 1.00 0.00 WT4 O ATOM 48662 H1 TIP3 1914 -8.589 -0.481 30.231 1.00 0.00 WT4 H ATOM 48663 H2 TIP3 1914 21.577 3.431 0.002 1.00 0.00 WT4 H ATOM 48664 OH2 TIP3 1915 0.296 -8.373 -0.979 1.00 0.00 WT4 O ATOM 48665 H1 TIP3 1915 5.515 -15.036 1.926 1.00 0.00 WT4 H ATOM 48666 H2 TIP3 1915 -7.290 -9.135 1.524 1.00 0.00 WT4 H ATOM 48667 OH2 TIP3 1917 3.807 -6.565 2.024 1.00 0.00 WT4 O ATOM 48668 H1 TIP3 1917 -6.454 7.665 8.057 1.00 0.00 WT4 H ATOM 48669 H2 TIP3 1917 19.980 1.280 -2.576 1.00 0.00 WT4 H ATOM 48670 OH2 TIP3 1919 8.913 -1.211 -5.245 1.00 0.00 WT4 O ATOM 48671 H1 TIP3 1919 15.033 -16.256 13.392 1.00 0.00 WT4 H ATOM 48672 H2 TIP3 1919 -11.165 12.642 -11.480 1.00 0.00 WT4 H ATOM 48673 OH2 TIP3 1931 -2.711 6.669 -6.154 1.00 0.00 WT4 O ATOM 48674 H1 TIP3 1931 6.528 -18.259 -12.503 1.00 0.00 WT4 H ATOM 48675 H2 TIP3 1931 -15.646 19.290 -5.852 1.00 0.00 WT4 H ATOM 48676 OH2 TIP3 1935 -3.418 3.837 5.691 1.00 0.00 WT4 O ATOM 48677 H1 TIP3 1935 -0.425 -0.571 11.345 1.00 0.00 WT4 H ATOM 48678 H2 TIP3 1935 -3.168 11.768 3.167 1.00 0.00 WT4 H ATOM 48679 OH2 TIP3 1936 -3.982 0.573 5.154 1.00 0.00 WT4 O ATOM 48680 H1 TIP3 1936 -20.313 28.124 -15.582 1.00 0.00 WT4 H ATOM 48681 H2 TIP3 1936 -8.274 8.311 0.062 1.00 0.00 WT4 H ATOM 48682 OH2 TIP3 1937 1.421 5.156 3.896 1.00 0.00 WT4 O ATOM 48683 H1 TIP3 1937 -1.776 1.714 -8.128 1.00 0.00 WT4 H ATOM 48684 H2 TIP3 1937 5.164 -5.209 8.041 1.00 0.00 WT4 H ATOM 48685 OH2 TIP3 1938 3.064 -7.862 -0.003 1.00 0.00 WT4 O ATOM 48686 H1 TIP3 1938 -1.245 4.167 -0.979 1.00 0.00 WT4 H ATOM 48687 H2 TIP3 1938 -11.850 -2.927 5.241 1.00 0.00 WT4 H ATOM 48688 OH2 TIP3 1950 -0.833 -1.979 -6.615 1.00 0.00 WT4 O ATOM 48689 H1 TIP3 1950 -0.284 -1.476 -5.193 1.00 0.00 WT4 H ATOM 48690 H2 TIP3 1950 0.076 1.163 4.497 1.00 0.00 WT4 H ATOM 48691 OH2 TIP3 1952 1.493 -0.237 -3.066 1.00 0.00 WT4 O ATOM 48692 H1 TIP3 1952 3.824 4.204 -1.814 1.00 0.00 WT4 H ATOM 48693 H2 TIP3 1952 27.369 0.820 -9.860 1.00 0.00 WT4 H ATOM 48694 OH2 TIP3 1954 7.517 -1.874 -6.980 1.00 0.00 WT4 O ATOM 48695 H1 TIP3 1954 18.062 -4.769 13.607 1.00 0.00 WT4 H ATOM 48696 H2 TIP3 1954 7.605 -16.866 -8.211 1.00 0.00 WT4 H ATOM 48697 OH2 TIP3 1955 1.449 3.015 4.763 1.00 0.00 WT4 O ATOM 48698 H1 TIP3 1955 16.102 -9.507 15.801 1.00 0.00 WT4 H ATOM 48699 H2 TIP3 1955 0.441 -4.634 -11.916 1.00 0.00 WT4 H ATOM 48700 OH2 TIP3 1977 2.227 -8.492 0.359 1.00 0.00 WT4 O ATOM 48701 H1 TIP3 1977 -7.027 -15.306 6.435 1.00 0.00 WT4 H ATOM 48702 H2 TIP3 1977 -16.267 -0.609 -11.951 1.00 0.00 WT4 H ATOM 48703 OH2 TIP3 1983 -2.941 0.693 1.820 1.00 0.00 WT4 O ATOM 48704 H1 TIP3 1983 -10.179 2.618 -5.874 1.00 0.00 WT4 H ATOM 48705 H2 TIP3 1983 -8.391 3.180 10.009 1.00 0.00 WT4 H ATOM 48706 OH2 TIP3 1993 1.668 3.339 -4.764 1.00 0.00 WT4 O ATOM 48707 H1 TIP3 1993 -12.623 2.126 6.726 1.00 0.00 WT4 H ATOM 48708 H2 TIP3 1993 1.246 9.664 -5.053 1.00 0.00 WT4 H ATOM 48709 OH2 TIP3 2002 -1.639 -4.961 2.758 1.00 0.00 WT4 O ATOM 48710 H1 TIP3 2002 4.448 -0.191 5.197 1.00 0.00 WT4 H ATOM 48711 H2 TIP3 2002 -5.536 -3.305 -5.168 1.00 0.00 WT4 H ATOM 48712 OH2 TIP3 2021 -5.485 6.855 -0.941 1.00 0.00 WT4 O ATOM 48713 H1 TIP3 2021 -2.886 10.393 -2.076 1.00 0.00 WT4 H ATOM 48714 H2 TIP3 2021 -2.203 5.894 2.565 1.00 0.00 WT4 H ATOM 48715 OH2 TIP3 2105 -2.886 -3.593 2.458 1.00 0.00 WT4 O ATOM 48716 H1 TIP3 2105 9.679 -20.132 -4.870 1.00 0.00 WT4 H ATOM 48717 H2 TIP3 2105 10.949 9.314 16.116 1.00 0.00 WT4 H ATOM 48718 OH2 TIP3 2123 -6.282 1.740 -0.822 1.00 0.00 WT4 O ATOM 48719 H1 TIP3 2123 0.072 -1.248 -3.018 1.00 0.00 WT4 H ATOM 48720 H2 TIP3 2123 -2.194 4.016 4.777 1.00 0.00 WT4 H ATOM 48721 OH2 TIP3 2163 3.448 2.493 0.405 1.00 0.00 WT4 O ATOM 48722 H1 TIP3 2163 -18.183 4.371 1.676 1.00 0.00 WT4 H ATOM 48723 H2 TIP3 2163 7.618 14.188 8.125 1.00 0.00 WT4 H ATOM 48724 OH2 TIP3 2165 -3.213 1.483 -0.133 1.00 0.00 WT4 O ATOM 48725 H1 TIP3 2165 2.946 -3.460 1.701 1.00 0.00 WT4 H ATOM 48726 H2 TIP3 2165 21.153 -10.800 9.585 1.00 0.00 WT4 H ATOM 48727 OH2 TIP3 2167 -3.455 6.225 3.335 1.00 0.00 WT4 O ATOM 48728 H1 TIP3 2167 -9.836 17.564 12.678 1.00 0.00 WT4 H ATOM 48729 H2 TIP3 2167 8.998 -20.692 -4.820 1.00 0.00 WT4 H ATOM 48730 OH2 TIP3 2185 3.732 -1.409 -9.309 1.00 0.00 WT4 O ATOM 48731 H1 TIP3 2185 -25.066 8.465 1.143 1.00 0.00 WT4 H ATOM 48732 H2 TIP3 2185 14.771 8.613 27.594 1.00 0.00 WT4 H ATOM 48733 OH2 TIP3 2186 -1.274 0.154 -1.486 1.00 0.00 WT4 O ATOM 48734 H1 TIP3 2186 16.810 -12.432 -0.247 1.00 0.00 WT4 H ATOM 48735 H2 TIP3 2186 -3.086 10.391 -0.990 1.00 0.00 WT4 H ATOM 48736 OH2 TIP3 2187 -2.933 -5.057 2.691 1.00 0.00 WT4 O ATOM 48737 H1 TIP3 2187 0.175 -5.817 2.116 1.00 0.00 WT4 H ATOM 48738 H2 TIP3 2187 5.985 0.034 2.889 1.00 0.00 WT4 H ATOM 48739 OH2 TIP3 2208 -4.536 -4.117 -8.067 1.00 0.00 WT4 O ATOM 48740 H1 TIP3 2208 -4.683 -3.014 -10.429 1.00 0.00 WT4 H ATOM 48741 H2 TIP3 2208 -3.839 -1.104 -13.051 1.00 0.00 WT4 H ATOM 48742 OH2 TIP3 2227 1.753 -1.048 3.043 1.00 0.00 WT4 O ATOM 48743 H1 TIP3 2227 31.266 -6.201 19.293 1.00 0.00 WT4 H ATOM 48744 H2 TIP3 2227 -9.179 10.084 11.702 1.00 0.00 WT4 H ATOM 48745 OH2 TIP3 2229 -7.443 -6.737 -6.836 1.00 0.00 WT4 O ATOM 48746 H1 TIP3 2229 -15.974 -12.857 33.380 1.00 0.00 WT4 H ATOM 48747 H2 TIP3 2229 -5.101 10.674 -2.417 1.00 0.00 WT4 H ATOM 48748 OH2 TIP3 2231 3.151 -4.069 -4.520 1.00 0.00 WT4 O ATOM 48749 H1 TIP3 2231 -7.896 -10.259 3.044 1.00 0.00 WT4 H ATOM 48750 H2 TIP3 2231 0.531 -11.486 -14.629 1.00 0.00 WT4 H ATOM 48751 OH2 TIP3 2232 2.660 3.607 8.047 1.00 0.00 WT4 O ATOM 48752 H1 TIP3 2232 8.872 -6.744 -9.938 1.00 0.00 WT4 H ATOM 48753 H2 TIP3 2232 -15.618 6.745 7.675 1.00 0.00 WT4 H ATOM 48754 OH2 TIP3 2251 -1.854 -0.780 -1.219 1.00 0.00 WT4 O ATOM 48755 H1 TIP3 2251 -2.337 -19.548 3.003 1.00 0.00 WT4 H ATOM 48756 H2 TIP3 2251 0.967 0.469 0.820 1.00 0.00 WT4 H ATOM 48757 OH2 TIP3 2253 -2.625 -4.088 -0.534 1.00 0.00 WT4 O ATOM 48758 H1 TIP3 2253 10.751 12.426 20.885 1.00 0.00 WT4 H ATOM 48759 H2 TIP3 2253 -0.208 -7.021 -2.327 1.00 0.00 WT4 H ATOM 48760 OH2 TIP3 2254 5.548 -2.409 -1.557 1.00 0.00 WT4 O ATOM 48761 H1 TIP3 2254 5.170 4.324 12.942 1.00 0.00 WT4 H ATOM 48762 H2 TIP3 2254 4.933 -0.568 3.965 1.00 0.00 WT4 H ATOM 48763 OH2 TIP3 2269 0.578 -6.046 -3.994 1.00 0.00 WT4 O ATOM 48764 H1 TIP3 2269 2.458 0.637 3.188 1.00 0.00 WT4 H ATOM 48765 H2 TIP3 2269 -2.630 -3.294 23.825 1.00 0.00 WT4 H ATOM 48766 OH2 TIP3 2270 5.550 -1.621 0.014 1.00 0.00 WT4 O ATOM 48767 H1 TIP3 2270 -3.067 -6.052 -6.408 1.00 0.00 WT4 H ATOM 48768 H2 TIP3 2270 6.078 -0.365 1.829 1.00 0.00 WT4 H ATOM 48769 OH2 TIP3 2271 -7.664 0.038 3.457 1.00 0.00 WT4 O ATOM 48770 H1 TIP3 2271 -1.188 -17.117 -2.616 1.00 0.00 WT4 H ATOM 48771 H2 TIP3 2271 -3.396 13.404 -10.518 1.00 0.00 WT4 H ATOM 48772 OH2 TIP3 2272 -4.203 -0.567 -2.656 1.00 0.00 WT4 O ATOM 48773 H1 TIP3 2272 0.008 -0.378 8.776 1.00 0.00 WT4 H ATOM 48774 H2 TIP3 2272 0.089 -0.195 13.672 1.00 0.00 WT4 H ATOM 48775 OH2 TIP3 2273 -1.515 -5.076 -0.232 1.00 0.00 WT4 O ATOM 48776 H1 TIP3 2273 6.639 14.538 -18.816 1.00 0.00 WT4 H ATOM 48777 H2 TIP3 2273 1.217 14.842 2.945 1.00 0.00 WT4 H ATOM 48778 OH2 TIP3 2274 -0.815 -4.866 -5.167 1.00 0.00 WT4 O ATOM 48779 H1 TIP3 2274 4.839 -9.203 -9.570 1.00 0.00 WT4 H ATOM 48780 H2 TIP3 2274 -1.098 12.616 -12.882 1.00 0.00 WT4 H ATOM 48781 OH2 TIP3 2275 -5.430 4.007 0.533 1.00 0.00 WT4 O ATOM 48782 H1 TIP3 2275 4.905 2.343 8.167 1.00 0.00 WT4 H ATOM 48783 H2 TIP3 2275 -5.786 8.881 -6.132 1.00 0.00 WT4 H ATOM 48784 OH2 TIP3 2277 -8.641 0.808 -1.287 1.00 0.00 WT4 O ATOM 48785 H1 TIP3 2277 5.600 -8.187 -22.891 1.00 0.00 WT4 H ATOM 48786 H2 TIP3 2277 -14.728 -9.249 -16.248 1.00 0.00 WT4 H ATOM 48787 OH2 TIP3 2280 -0.324 7.450 1.336 1.00 0.00 WT4 O ATOM 48788 H1 TIP3 2280 -19.843 -5.999 3.569 1.00 0.00 WT4 H ATOM 48789 H2 TIP3 2280 7.344 -3.876 -11.260 1.00 0.00 WT4 H ATOM 48790 OH2 TIP3 2288 1.222 1.832 -1.083 1.00 0.00 WT4 O ATOM 48791 H1 TIP3 2288 15.097 3.780 39.832 1.00 0.00 WT4 H ATOM 48792 H2 TIP3 2288 20.596 -10.137 -18.976 1.00 0.00 WT4 H ATOM 48793 OH2 TIP3 2292 7.523 -1.425 -1.607 1.00 0.00 WT4 O ATOM 48794 H1 TIP3 2292 12.650 19.426 -5.840 1.00 0.00 WT4 H ATOM 48795 H2 TIP3 2292 8.739 3.864 -2.124 1.00 0.00 WT4 H ATOM 48796 OH2 TIP3 2293 -2.118 -1.064 3.389 1.00 0.00 WT4 O ATOM 48797 H1 TIP3 2293 -4.923 2.355 2.842 1.00 0.00 WT4 H ATOM 48798 H2 TIP3 2293 -7.885 7.838 5.586 1.00 0.00 WT4 H ATOM 48799 OH2 TIP3 2294 2.423 -3.574 5.572 1.00 0.00 WT4 O ATOM 48800 H1 TIP3 2294 -11.455 -9.962 5.757 1.00 0.00 WT4 H ATOM 48801 H2 TIP3 2294 -0.165 -5.367 4.899 1.00 0.00 WT4 H ATOM 48802 OH2 TIP3 2296 -3.439 5.970 4.476 1.00 0.00 WT4 O ATOM 48803 H1 TIP3 2296 -3.791 15.698 -13.693 1.00 0.00 WT4 H ATOM 48804 H2 TIP3 2296 -14.061 -6.811 -15.167 1.00 0.00 WT4 H ATOM 48805 OH2 TIP3 2309 -1.876 -2.627 3.619 1.00 0.00 WT4 O ATOM 48806 H1 TIP3 2309 -24.437 15.293 6.149 1.00 0.00 WT4 H ATOM 48807 H2 TIP3 2309 -1.598 17.984 -28.239 1.00 0.00 WT4 H ATOM 48808 OH2 TIP3 2311 -10.804 -7.111 -5.606 1.00 0.00 WT4 O ATOM 48809 H1 TIP3 2311 12.743 0.519 -5.262 1.00 0.00 WT4 H ATOM 48810 H2 TIP3 2311 -13.432 -11.443 21.781 1.00 0.00 WT4 H ATOM 48811 OH2 TIP3 2312 -0.646 -4.057 -4.093 1.00 0.00 WT4 O ATOM 48812 H1 TIP3 2312 -25.051 -8.516 2.244 1.00 0.00 WT4 H ATOM 48813 H2 TIP3 2312 2.853 -8.910 -22.027 1.00 0.00 WT4 H ATOM 48814 OH2 TIP3 2313 1.676 -4.812 -2.922 1.00 0.00 WT4 O ATOM 48815 H1 TIP3 2313 6.749 2.491 7.862 1.00 0.00 WT4 H ATOM 48816 H2 TIP3 2313 -3.148 -7.135 3.604 1.00 0.00 WT4 H ATOM 48817 OH2 TIP3 2314 3.451 1.917 -1.270 1.00 0.00 WT4 O ATOM 48818 H1 TIP3 2314 -0.322 10.304 -9.788 1.00 0.00 WT4 H ATOM 48819 H2 TIP3 2314 5.085 -0.057 0.096 1.00 0.00 WT4 H ATOM 48820 OH2 TIP3 2315 -3.964 2.433 -2.715 1.00 0.00 WT4 O ATOM 48821 H1 TIP3 2315 -8.893 -4.751 -5.678 1.00 0.00 WT4 H ATOM 48822 H2 TIP3 2315 0.069 4.679 -9.698 1.00 0.00 WT4 H ATOM 48823 OH2 TIP3 2316 3.001 4.968 5.679 1.00 0.00 WT4 O ATOM 48824 H1 TIP3 2316 19.108 1.738 10.532 1.00 0.00 WT4 H ATOM 48825 H2 TIP3 2316 5.918 0.206 -7.352 1.00 0.00 WT4 H ATOM 48826 OH2 TIP3 2317 -0.078 3.413 4.782 1.00 0.00 WT4 O ATOM 48827 H1 TIP3 2317 -5.976 -17.236 -12.764 1.00 0.00 WT4 H ATOM 48828 H2 TIP3 2317 -6.663 -15.742 -10.224 1.00 0.00 WT4 H ATOM 48829 OH2 TIP3 2318 7.093 -5.536 -2.856 1.00 0.00 WT4 O ATOM 48830 H1 TIP3 2318 11.818 -2.060 -0.031 1.00 0.00 WT4 H ATOM 48831 H2 TIP3 2318 11.200 -11.917 7.569 1.00 0.00 WT4 H ATOM 48832 OH2 TIP3 2319 2.829 -4.314 -1.250 1.00 0.00 WT4 O ATOM 48833 H1 TIP3 2319 7.462 1.166 4.616 1.00 0.00 WT4 H ATOM 48834 H2 TIP3 2319 -5.472 -5.305 -4.978 1.00 0.00 WT4 H ATOM 48835 OH2 TIP3 2329 1.842 -1.797 -2.246 1.00 0.00 WT4 O ATOM 48836 H1 TIP3 2329 -11.664 -3.820 -2.085 1.00 0.00 WT4 H ATOM 48837 H2 TIP3 2329 7.222 -1.554 13.060 1.00 0.00 WT4 H ATOM 48838 OH2 TIP3 2331 2.741 5.224 4.915 1.00 0.00 WT4 O ATOM 48839 H1 TIP3 2331 6.078 0.983 12.818 1.00 0.00 WT4 H ATOM 48840 H2 TIP3 2331 4.611 1.253 7.975 1.00 0.00 WT4 H ATOM 48841 OH2 TIP3 2332 3.499 -0.742 2.744 1.00 0.00 WT4 O ATOM 48842 H1 TIP3 2332 -4.296 2.080 8.783 1.00 0.00 WT4 H ATOM 48843 H2 TIP3 2332 2.433 -9.229 10.210 1.00 0.00 WT4 H ATOM 48844 OH2 TIP3 2333 2.630 -1.360 1.156 1.00 0.00 WT4 O ATOM 48845 H1 TIP3 2333 0.773 0.519 2.974 1.00 0.00 WT4 H ATOM 48846 H2 TIP3 2333 3.614 -2.514 2.687 1.00 0.00 WT4 H ATOM 48847 OH2 TIP3 2335 -4.628 -0.988 -3.003 1.00 0.00 WT4 O ATOM 48848 H1 TIP3 2335 -21.323 -0.069 -4.536 1.00 0.00 WT4 H ATOM 48849 H2 TIP3 2335 -0.462 -8.534 -14.983 1.00 0.00 WT4 H ATOM 48850 OH2 TIP3 2339 0.672 -0.705 -3.146 1.00 0.00 WT4 O ATOM 48851 H1 TIP3 2339 -2.136 -12.817 8.896 1.00 0.00 WT4 H ATOM 48852 H2 TIP3 2339 -3.958 -17.868 3.072 1.00 0.00 WT4 H ATOM 48853 OH2 TIP3 2351 -1.984 -0.971 -0.845 1.00 0.00 WT4 O ATOM 48854 H1 TIP3 2351 5.312 0.675 -5.839 1.00 0.00 WT4 H ATOM 48855 H2 TIP3 2351 -7.588 -3.467 -11.356 1.00 0.00 WT4 H ATOM 48856 OH2 TIP3 2352 -5.713 -0.699 1.485 1.00 0.00 WT4 O ATOM 48857 H1 TIP3 2352 1.494 13.304 -21.930 1.00 0.00 WT4 H ATOM 48858 H2 TIP3 2352 20.157 -3.765 14.779 1.00 0.00 WT4 H ATOM 48859 OH2 TIP3 2355 -3.312 -4.077 2.024 1.00 0.00 WT4 O ATOM 48860 H1 TIP3 2355 -0.291 -43.980 -2.408 1.00 0.00 WT4 H ATOM 48861 H2 TIP3 2355 13.314 -0.005 -8.325 1.00 0.00 WT4 H ATOM 48862 OH2 TIP3 2357 6.795 -5.855 -2.940 1.00 0.00 WT4 O ATOM 48863 H1 TIP3 2357 2.966 11.025 25.414 1.00 0.00 WT4 H ATOM 48864 H2 TIP3 2357 -4.590 4.129 10.629 1.00 0.00 WT4 H ATOM 48865 OH2 TIP3 2358 0.124 -1.944 0.472 1.00 0.00 WT4 O ATOM 48866 H1 TIP3 2358 -0.179 0.586 0.016 1.00 0.00 WT4 H ATOM 48867 H2 TIP3 2358 -6.688 -3.039 0.040 1.00 0.00 WT4 H ATOM 48868 OH2 TIP3 2359 5.679 -0.093 1.596 1.00 0.00 WT4 O ATOM 48869 H1 TIP3 2359 -10.169 -7.926 21.551 1.00 0.00 WT4 H ATOM 48870 H2 TIP3 2359 15.801 -21.759 -4.657 1.00 0.00 WT4 H ATOM 48871 OH2 TIP3 2376 4.273 -3.396 -5.550 1.00 0.00 WT4 O ATOM 48872 H1 TIP3 2376 -14.878 -3.945 12.304 1.00 0.00 WT4 H ATOM 48873 H2 TIP3 2376 17.358 20.286 5.748 1.00 0.00 WT4 H ATOM 48874 OH2 TIP3 2377 0.327 -4.738 1.230 1.00 0.00 WT4 O ATOM 48875 H1 TIP3 2377 4.770 15.446 -5.913 1.00 0.00 WT4 H ATOM 48876 H2 TIP3 2377 17.127 -5.308 -0.976 1.00 0.00 WT4 H ATOM 48877 OH2 TIP3 2378 -5.856 0.819 -2.547 1.00 0.00 WT4 O ATOM 48878 H1 TIP3 2378 -17.473 4.505 18.540 1.00 0.00 WT4 H ATOM 48879 H2 TIP3 2378 5.080 22.450 -7.067 1.00 0.00 WT4 H ATOM 48880 OH2 TIP3 2380 -2.440 -2.891 0.697 1.00 0.00 WT4 O ATOM 48881 H1 TIP3 2380 -0.916 -2.912 -14.515 1.00 0.00 WT4 H ATOM 48882 H2 TIP3 2380 -26.855 2.785 7.975 1.00 0.00 WT4 H ATOM 48883 OH2 TIP3 2397 2.629 4.636 2.945 1.00 0.00 WT4 O ATOM 48884 H1 TIP3 2397 9.568 1.698 12.157 1.00 0.00 WT4 H ATOM 48885 H2 TIP3 2397 -16.590 -1.353 10.820 1.00 0.00 WT4 H ATOM 48886 OH2 TIP3 2398 0.347 -0.893 -0.766 1.00 0.00 WT4 O ATOM 48887 H1 TIP3 2398 9.651 -2.394 -12.371 1.00 0.00 WT4 H ATOM 48888 H2 TIP3 2398 -20.541 15.267 -9.730 1.00 0.00 WT4 H ATOM 48889 OH2 TIP3 2418 1.478 -7.961 1.390 1.00 0.00 WT4 O ATOM 48890 H1 TIP3 2418 7.890 10.726 8.428 1.00 0.00 WT4 H ATOM 48891 H2 TIP3 2418 20.917 -2.271 -8.889 1.00 0.00 WT4 H ATOM 48892 OH2 TIP3 2436 8.155 -2.113 -2.233 1.00 0.00 WT4 O ATOM 48893 H1 TIP3 2436 2.296 -7.960 -0.789 1.00 0.00 WT4 H ATOM 48894 H2 TIP3 2436 3.162 6.074 3.669 1.00 0.00 WT4 H ATOM 48895 OH2 TIP3 2477 1.554 -11.254 -3.362 1.00 0.00 WT4 O ATOM 48896 H1 TIP3 2477 7.557 30.691 13.699 1.00 0.00 WT4 H ATOM 48897 H2 TIP3 2477 -1.254 -13.645 -3.056 1.00 0.00 WT4 H ATOM 48898 OH2 TIP3 2508 8.051 4.472 2.088 1.00 0.00 WT4 O ATOM 48899 H1 TIP3 2508 -0.234 4.065 5.649 1.00 0.00 WT4 H ATOM 48900 H2 TIP3 2508 19.537 -0.427 -8.824 1.00 0.00 WT4 H ATOM 48901 OH2 TIP3 2606 -0.271 0.863 6.378 1.00 0.00 WT4 O ATOM 48902 H1 TIP3 2606 -12.429 9.498 27.157 1.00 0.00 WT4 H ATOM 48903 H2 TIP3 2606 -1.627 4.911 8.019 1.00 0.00 WT4 H ATOM 48904 OH2 TIP3 2607 -2.186 2.089 6.412 1.00 0.00 WT4 O ATOM 48905 H1 TIP3 2607 5.746 2.248 6.407 1.00 0.00 WT4 H ATOM 48906 H2 TIP3 2607 3.366 14.327 15.791 1.00 0.00 WT4 H ATOM 48907 OH2 TIP3 2608 -2.197 5.914 1.020 1.00 0.00 WT4 O ATOM 48908 H1 TIP3 2608 -45.234 3.147 17.050 1.00 0.00 WT4 H ATOM 48909 H2 TIP3 2608 -13.329 -4.000 -23.861 1.00 0.00 WT4 H ATOM 48910 OH2 TIP3 2610 1.387 -4.559 -1.202 1.00 0.00 WT4 O ATOM 48911 H1 TIP3 2610 4.284 1.656 16.444 1.00 0.00 WT4 H ATOM 48912 H2 TIP3 2610 -7.280 9.126 -11.082 1.00 0.00 WT4 H ATOM 48913 OH2 TIP3 2624 -2.411 -2.432 8.763 1.00 0.00 WT4 O ATOM 48914 H1 TIP3 2624 -19.242 1.162 -14.865 1.00 0.00 WT4 H ATOM 48915 H2 TIP3 2624 18.040 -10.571 5.144 1.00 0.00 WT4 H ATOM 48916 OH2 TIP3 2628 -1.536 1.690 -0.670 1.00 0.00 WT4 O ATOM 48917 H1 TIP3 2628 -0.400 2.932 8.107 1.00 0.00 WT4 H ATOM 48918 H2 TIP3 2628 -3.384 14.461 -5.002 1.00 0.00 WT4 H ATOM 48919 OH2 TIP3 2630 3.289 -0.335 0.664 1.00 0.00 WT4 O ATOM 48920 H1 TIP3 2630 14.205 -23.870 7.549 1.00 0.00 WT4 H ATOM 48921 H2 TIP3 2630 -1.789 10.403 -2.991 1.00 0.00 WT4 H ATOM 48922 OH2 TIP3 2632 -4.067 2.990 -2.527 1.00 0.00 WT4 O ATOM 48923 H1 TIP3 2632 -4.854 0.467 -5.865 1.00 0.00 WT4 H ATOM 48924 H2 TIP3 2632 -3.091 5.907 1.485 1.00 0.00 WT4 H ATOM 48925 OH2 TIP3 2634 -1.695 -0.538 -8.451 1.00 0.00 WT4 O ATOM 48926 H1 TIP3 2634 -1.427 12.164 10.166 1.00 0.00 WT4 H ATOM 48927 H2 TIP3 2634 3.946 -0.268 -17.186 1.00 0.00 WT4 H ATOM 48928 OH2 TIP3 2635 -3.167 -2.778 -0.871 1.00 0.00 WT4 O ATOM 48929 H1 TIP3 2635 1.454 11.125 -4.879 1.00 0.00 WT4 H ATOM 48930 H2 TIP3 2635 0.124 -2.531 -10.373 1.00 0.00 WT4 H ATOM 48931 OH2 TIP3 2649 0.442 2.861 1.957 1.00 0.00 WT4 O ATOM 48932 H1 TIP3 2649 -6.951 15.600 6.601 1.00 0.00 WT4 H ATOM 48933 H2 TIP3 2649 1.500 1.968 2.055 1.00 0.00 WT4 H ATOM 48934 OH2 TIP3 2650 2.022 -7.011 -1.976 1.00 0.00 WT4 O ATOM 48935 H1 TIP3 2650 -0.069 -2.941 -4.189 1.00 0.00 WT4 H ATOM 48936 H2 TIP3 2650 3.014 25.044 6.388 1.00 0.00 WT4 H ATOM 48937 OH2 TIP3 2652 0.760 1.469 3.944 1.00 0.00 WT4 O ATOM 48938 H1 TIP3 2652 24.287 -15.552 15.054 1.00 0.00 WT4 H ATOM 48939 H2 TIP3 2652 10.173 0.107 2.102 1.00 0.00 WT4 H ATOM 48940 OH2 TIP3 2654 -3.008 -5.827 -9.854 1.00 0.00 WT4 O ATOM 48941 H1 TIP3 2654 4.346 2.621 5.899 1.00 0.00 WT4 H ATOM 48942 H2 TIP3 2654 6.240 14.210 12.690 1.00 0.00 WT4 H ATOM 48943 OH2 TIP3 2667 1.091 4.889 -4.575 1.00 0.00 WT4 O ATOM 48944 H1 TIP3 2667 3.437 1.256 -0.565 1.00 0.00 WT4 H ATOM 48945 H2 TIP3 2667 11.607 6.961 -4.623 1.00 0.00 WT4 H ATOM 48946 OH2 TIP3 2669 3.250 -7.929 0.543 1.00 0.00 WT4 O ATOM 48947 H1 TIP3 2669 10.527 0.986 -12.918 1.00 0.00 WT4 H ATOM 48948 H2 TIP3 2669 9.737 7.802 -0.483 1.00 0.00 WT4 H ATOM 48949 OH2 TIP3 2670 1.018 9.258 -2.454 1.00 0.00 WT4 O ATOM 48950 H1 TIP3 2670 7.897 -14.384 5.651 1.00 0.00 WT4 H ATOM 48951 H2 TIP3 2670 3.894 -19.072 3.192 1.00 0.00 WT4 H ATOM 48952 OH2 TIP3 2672 -5.031 4.662 -6.225 1.00 0.00 WT4 O ATOM 48953 H1 TIP3 2672 -5.037 -4.308 -15.699 1.00 0.00 WT4 H ATOM 48954 H2 TIP3 2672 -17.999 3.680 7.969 1.00 0.00 WT4 H ATOM 48955 OH2 TIP3 2673 8.983 -1.551 2.751 1.00 0.00 WT4 O ATOM 48956 H1 TIP3 2673 16.852 -16.772 -0.095 1.00 0.00 WT4 H ATOM 48957 H2 TIP3 2673 -8.190 -5.712 1.664 1.00 0.00 WT4 H ATOM 48958 OH2 TIP3 2674 -0.547 -0.046 -0.218 1.00 0.00 WT4 O ATOM 48959 H1 TIP3 2674 3.212 8.938 6.026 1.00 0.00 WT4 H ATOM 48960 H2 TIP3 2674 14.626 0.632 -17.074 1.00 0.00 WT4 H ATOM 48961 OH2 TIP3 2676 -1.931 -0.930 0.950 1.00 0.00 WT4 O ATOM 48962 H1 TIP3 2676 7.787 -4.431 18.416 1.00 0.00 WT4 H ATOM 48963 H2 TIP3 2676 23.064 -3.946 -16.829 1.00 0.00 WT4 H ATOM 48964 OH2 TIP3 2690 2.399 0.005 2.460 1.00 0.00 WT4 O ATOM 48965 H1 TIP3 2690 -0.551 15.461 22.786 1.00 0.00 WT4 H ATOM 48966 H2 TIP3 2690 5.986 18.260 -16.259 1.00 0.00 WT4 H ATOM 48967 OH2 TIP3 2691 0.850 2.783 -3.290 1.00 0.00 WT4 O ATOM 48968 H1 TIP3 2691 5.166 -9.049 2.930 1.00 0.00 WT4 H ATOM 48969 H2 TIP3 2691 12.335 9.952 -3.723 1.00 0.00 WT4 H ATOM 48970 OH2 TIP3 2692 7.511 2.495 -0.050 1.00 0.00 WT4 O ATOM 48971 H1 TIP3 2692 8.190 4.402 -16.126 1.00 0.00 WT4 H ATOM 48972 H2 TIP3 2692 11.441 -10.714 15.781 1.00 0.00 WT4 H ATOM 48973 OH2 TIP3 2694 1.428 -0.900 1.390 1.00 0.00 WT4 O ATOM 48974 H1 TIP3 2694 -4.982 3.563 -12.324 1.00 0.00 WT4 H ATOM 48975 H2 TIP3 2694 -6.494 20.526 16.797 1.00 0.00 WT4 H ATOM 48976 OH2 TIP3 2695 0.786 -0.303 1.532 1.00 0.00 WT4 O ATOM 48977 H1 TIP3 2695 13.887 -4.524 13.767 1.00 0.00 WT4 H ATOM 48978 H2 TIP3 2695 16.879 -4.543 19.580 1.00 0.00 WT4 H ATOM 48979 OH2 TIP3 2697 2.066 1.731 4.915 1.00 0.00 WT4 O ATOM 48980 H1 TIP3 2697 18.170 -16.186 25.144 1.00 0.00 WT4 H ATOM 48981 H2 TIP3 2697 -11.244 -8.135 -14.665 1.00 0.00 WT4 H ATOM 48982 OH2 TIP3 2701 -0.597 5.312 -2.452 1.00 0.00 WT4 O ATOM 48983 H1 TIP3 2701 1.053 6.135 -5.244 1.00 0.00 WT4 H ATOM 48984 H2 TIP3 2701 3.282 6.067 -1.181 1.00 0.00 WT4 H ATOM 48985 OH2 TIP3 2709 5.776 -4.991 0.693 1.00 0.00 WT4 O ATOM 48986 H1 TIP3 2709 6.568 -10.481 10.100 1.00 0.00 WT4 H ATOM 48987 H2 TIP3 2709 5.108 -3.061 -0.540 1.00 0.00 WT4 H ATOM 48988 OH2 TIP3 2710 -3.575 -1.082 -1.584 1.00 0.00 WT4 O ATOM 48989 H1 TIP3 2710 -3.505 -1.370 0.402 1.00 0.00 WT4 H ATOM 48990 H2 TIP3 2710 -2.832 0.268 -0.687 1.00 0.00 WT4 H ATOM 48991 OH2 TIP3 2713 -6.364 -4.954 -3.818 1.00 0.00 WT4 O ATOM 48992 H1 TIP3 2713 -1.862 -18.384 19.505 1.00 0.00 WT4 H ATOM 48993 H2 TIP3 2713 -8.141 10.463 -3.901 1.00 0.00 WT4 H ATOM 48994 OH2 TIP3 2714 10.450 0.166 4.424 1.00 0.00 WT4 O ATOM 48995 H1 TIP3 2714 -5.440 -18.132 -17.613 1.00 0.00 WT4 H ATOM 48996 H2 TIP3 2714 6.553 12.274 10.941 1.00 0.00 WT4 H ATOM 48997 OH2 TIP3 2717 -8.326 -3.628 1.953 1.00 0.00 WT4 O ATOM 48998 H1 TIP3 2717 -6.435 9.841 -10.652 1.00 0.00 WT4 H ATOM 48999 H2 TIP3 2717 4.272 -3.894 1.508 1.00 0.00 WT4 H ATOM 49000 OH2 TIP3 2732 1.610 -1.436 0.199 1.00 0.00 WT4 O ATOM 49001 H1 TIP3 2732 1.541 -20.356 6.247 1.00 0.00 WT4 H ATOM 49002 H2 TIP3 2732 8.719 -14.096 -6.189 1.00 0.00 WT4 H ATOM 49003 OH2 TIP3 2734 -8.422 -0.621 7.736 1.00 0.00 WT4 O ATOM 49004 H1 TIP3 2734 4.135 -5.988 7.060 1.00 0.00 WT4 H ATOM 49005 H2 TIP3 2734 -10.504 -9.119 11.022 1.00 0.00 WT4 H ATOM 49006 OH2 TIP3 2735 -1.474 -0.952 -1.217 1.00 0.00 WT4 O ATOM 49007 H1 TIP3 2735 -6.570 10.103 -11.434 1.00 0.00 WT4 H ATOM 49008 H2 TIP3 2735 -8.075 3.408 12.312 1.00 0.00 WT4 H ATOM 49009 OH2 TIP3 2736 -0.945 5.192 -0.083 1.00 0.00 WT4 O ATOM 49010 H1 TIP3 2736 -5.005 -5.910 -6.936 1.00 0.00 WT4 H ATOM 49011 H2 TIP3 2736 5.345 -1.911 11.316 1.00 0.00 WT4 H ATOM 49012 OH2 TIP3 2753 -2.341 6.092 -0.730 1.00 0.00 WT4 O ATOM 49013 H1 TIP3 2753 0.043 1.907 9.979 1.00 0.00 WT4 H ATOM 49014 H2 TIP3 2753 0.125 6.731 27.993 1.00 0.00 WT4 H ATOM 49015 OH2 TIP3 2754 -2.811 5.335 0.907 1.00 0.00 WT4 O ATOM 49016 H1 TIP3 2754 0.479 6.222 5.139 1.00 0.00 WT4 H ATOM 49017 H2 TIP3 2754 -6.197 -4.120 1.825 1.00 0.00 WT4 H ATOM 49018 OH2 TIP3 2755 2.298 1.912 -6.044 1.00 0.00 WT4 O ATOM 49019 H1 TIP3 2755 3.679 -1.715 -7.352 1.00 0.00 WT4 H ATOM 49020 H2 TIP3 2755 2.237 1.552 -6.193 1.00 0.00 WT4 H ATOM 49021 OH2 TIP3 2757 5.417 4.379 6.786 1.00 0.00 WT4 O ATOM 49022 H1 TIP3 2757 -10.470 -6.697 0.803 1.00 0.00 WT4 H ATOM 49023 H2 TIP3 2757 9.386 7.855 -0.183 1.00 0.00 WT4 H ATOM 49024 OH2 TIP3 2758 4.824 0.965 5.803 1.00 0.00 WT4 O ATOM 49025 H1 TIP3 2758 -15.063 -26.326 -4.223 1.00 0.00 WT4 H ATOM 49026 H2 TIP3 2758 6.260 0.387 5.731 1.00 0.00 WT4 H ATOM 49027 OH2 TIP3 2771 1.803 -5.078 5.251 1.00 0.00 WT4 O ATOM 49028 H1 TIP3 2771 5.977 3.095 -5.579 1.00 0.00 WT4 H ATOM 49029 H2 TIP3 2771 15.520 6.642 -0.058 1.00 0.00 WT4 H ATOM 49030 OH2 TIP3 2773 3.457 6.120 5.826 1.00 0.00 WT4 O ATOM 49031 H1 TIP3 2773 22.834 -21.334 -9.124 1.00 0.00 WT4 H ATOM 49032 H2 TIP3 2773 9.713 -14.346 13.513 1.00 0.00 WT4 H ATOM 49033 OH2 TIP3 2774 0.124 3.674 -1.455 1.00 0.00 WT4 O ATOM 49034 H1 TIP3 2774 -8.762 0.936 1.397 1.00 0.00 WT4 H ATOM 49035 H2 TIP3 2774 20.734 20.814 15.642 1.00 0.00 WT4 H ATOM 49036 OH2 TIP3 2775 -0.093 6.242 4.753 1.00 0.00 WT4 O ATOM 49037 H1 TIP3 2775 6.040 11.417 -12.976 1.00 0.00 WT4 H ATOM 49038 H2 TIP3 2775 -3.635 5.022 13.861 1.00 0.00 WT4 H ATOM 49039 OH2 TIP3 2776 -1.909 6.503 -0.448 1.00 0.00 WT4 O ATOM 49040 H1 TIP3 2776 -6.636 4.514 9.977 1.00 0.00 WT4 H ATOM 49041 H2 TIP3 2776 -20.098 -0.561 37.502 1.00 0.00 WT4 H ATOM 49042 OH2 TIP3 2777 -5.932 1.252 -2.027 1.00 0.00 WT4 O ATOM 49043 H1 TIP3 2777 -2.273 -1.397 0.105 1.00 0.00 WT4 H ATOM 49044 H2 TIP3 2777 4.269 -5.124 0.958 1.00 0.00 WT4 H ATOM 49045 OH2 TIP3 2778 2.104 3.164 -2.930 1.00 0.00 WT4 O ATOM 49046 H1 TIP3 2778 13.932 12.514 10.794 1.00 0.00 WT4 H ATOM 49047 H2 TIP3 2778 13.877 -13.104 -8.942 1.00 0.00 WT4 H ATOM 49048 OH2 TIP3 2793 -4.389 0.207 -0.817 1.00 0.00 WT4 O ATOM 49049 H1 TIP3 2793 -8.661 6.634 10.801 1.00 0.00 WT4 H ATOM 49050 H2 TIP3 2793 -0.397 -3.912 -10.237 1.00 0.00 WT4 H ATOM 49051 OH2 TIP3 2794 -1.902 -0.808 4.543 1.00 0.00 WT4 O ATOM 49052 H1 TIP3 2794 -0.932 -3.715 -2.426 1.00 0.00 WT4 H ATOM 49053 H2 TIP3 2794 2.914 21.330 30.788 1.00 0.00 WT4 H ATOM 49054 OH2 TIP3 2795 6.694 1.317 3.507 1.00 0.00 WT4 O ATOM 49055 H1 TIP3 2795 9.602 -6.539 18.879 1.00 0.00 WT4 H ATOM 49056 H2 TIP3 2795 18.099 -6.246 -6.687 1.00 0.00 WT4 H ATOM 49057 OH2 TIP3 2797 0.882 -6.313 6.566 1.00 0.00 WT4 O ATOM 49058 H1 TIP3 2797 -7.220 3.619 5.612 1.00 0.00 WT4 H ATOM 49059 H2 TIP3 2797 -11.582 6.173 12.788 1.00 0.00 WT4 H ATOM 49060 OH2 TIP3 2815 -4.435 0.508 -2.018 1.00 0.00 WT4 O ATOM 49061 H1 TIP3 2815 -1.527 -2.055 1.217 1.00 0.00 WT4 H ATOM 49062 H2 TIP3 2815 -7.192 3.082 0.954 1.00 0.00 WT4 H ATOM 49063 OH2 TIP3 2817 0.563 -5.655 -3.495 1.00 0.00 WT4 O ATOM 49064 H1 TIP3 2817 2.605 -7.987 -4.987 1.00 0.00 WT4 H ATOM 49065 H2 TIP3 2817 -2.023 -2.867 -0.587 1.00 0.00 WT4 H ATOM 49066 OH2 TIP3 2818 5.636 -2.503 -0.786 1.00 0.00 WT4 O ATOM 49067 H1 TIP3 2818 -9.358 6.748 10.970 1.00 0.00 WT4 H ATOM 49068 H2 TIP3 2818 10.619 5.561 -26.276 1.00 0.00 WT4 H ATOM 49069 OH2 TIP3 2820 -5.349 -0.828 -2.084 1.00 0.00 WT4 O ATOM 49070 H1 TIP3 2820 -12.925 5.021 -10.627 1.00 0.00 WT4 H ATOM 49071 H2 TIP3 2820 25.124 -13.365 -3.872 1.00 0.00 WT4 H ATOM 49072 OH2 TIP3 2821 0.190 2.752 2.544 1.00 0.00 WT4 O ATOM 49073 H1 TIP3 2821 -9.202 -0.886 -6.056 1.00 0.00 WT4 H ATOM 49074 H2 TIP3 2821 0.693 33.261 15.544 1.00 0.00 WT4 H ATOM 49075 OH2 TIP3 2832 -8.152 -0.393 3.927 1.00 0.00 WT4 O ATOM 49076 H1 TIP3 2832 -6.441 -5.680 -8.086 1.00 0.00 WT4 H ATOM 49077 H2 TIP3 2832 -9.308 0.041 14.051 1.00 0.00 WT4 H ATOM 49078 OH2 TIP3 2842 0.151 -6.196 3.560 1.00 0.00 WT4 O ATOM 49079 H1 TIP3 2842 3.370 -3.871 1.310 1.00 0.00 WT4 H ATOM 49080 H2 TIP3 2842 -6.159 -14.489 11.190 1.00 0.00 WT4 H ATOM 49081 OH2 TIP3 2843 -2.836 -1.124 2.423 1.00 0.00 WT4 O ATOM 49082 H1 TIP3 2843 22.841 -9.242 -22.834 1.00 0.00 WT4 H ATOM 49083 H2 TIP3 2843 0.249 -3.137 -7.090 1.00 0.00 WT4 H ATOM 49084 OH2 TIP3 2857 4.958 1.063 -5.922 1.00 0.00 WT4 O ATOM 49085 H1 TIP3 2857 9.566 4.199 -0.780 1.00 0.00 WT4 H ATOM 49086 H2 TIP3 2857 1.068 -6.606 11.703 1.00 0.00 WT4 H ATOM 49087 OH2 TIP3 2862 3.281 0.090 -0.406 1.00 0.00 WT4 O ATOM 49088 H1 TIP3 2862 -5.333 38.335 12.064 1.00 0.00 WT4 H ATOM 49089 H2 TIP3 2862 2.778 -6.360 -2.642 1.00 0.00 WT4 H ATOM 49090 OH2 TIP3 2877 -3.255 2.688 4.811 1.00 0.00 WT4 O ATOM 49091 H1 TIP3 2877 -14.968 -7.380 -7.577 1.00 0.00 WT4 H ATOM 49092 H2 TIP3 2877 11.408 -4.014 4.479 1.00 0.00 WT4 H ATOM 49093 OH2 TIP3 2878 5.296 -2.458 3.408 1.00 0.00 WT4 O ATOM 49094 H1 TIP3 2878 0.586 -1.029 0.578 1.00 0.00 WT4 H ATOM 49095 H2 TIP3 2878 5.294 -2.434 0.899 1.00 0.00 WT4 H ATOM 49096 OH2 TIP3 2944 -6.678 -3.485 -0.332 1.00 0.00 WT4 O ATOM 49097 H1 TIP3 2944 0.109 9.728 12.218 1.00 0.00 WT4 H ATOM 49098 H2 TIP3 2944 3.186 0.009 -18.255 1.00 0.00 WT4 H ATOM 49099 OH2 TIP3 3010 0.215 -2.895 4.195 1.00 0.00 WT4 O ATOM 49100 H1 TIP3 3010 6.485 3.834 13.148 1.00 0.00 WT4 H ATOM 49101 H2 TIP3 3010 0.557 0.728 5.690 1.00 0.00 WT4 H ATOM 49102 OH2 TIP3 3012 -1.057 1.427 -4.491 1.00 0.00 WT4 O ATOM 49103 H1 TIP3 3012 -14.636 -5.638 -3.312 1.00 0.00 WT4 H ATOM 49104 H2 TIP3 3012 -2.694 10.235 -10.153 1.00 0.00 WT4 H ATOM 49105 OH2 TIP3 3027 -0.759 1.236 8.319 1.00 0.00 WT4 O ATOM 49106 H1 TIP3 3027 5.168 1.964 10.599 1.00 0.00 WT4 H ATOM 49107 H2 TIP3 3027 8.870 29.272 -1.867 1.00 0.00 WT4 H ATOM 49108 OH2 TIP3 3046 0.761 -1.461 -0.707 1.00 0.00 WT4 O ATOM 49109 H1 TIP3 3046 -22.598 12.425 6.324 1.00 0.00 WT4 H ATOM 49110 H2 TIP3 3046 24.211 -11.171 -0.811 1.00 0.00 WT4 H ATOM 49111 OH2 TIP3 3049 -9.514 -1.202 -2.801 1.00 0.00 WT4 O ATOM 49112 H1 TIP3 3049 -8.249 -2.313 -1.049 1.00 0.00 WT4 H ATOM 49113 H2 TIP3 3049 6.583 -12.304 -4.140 1.00 0.00 WT4 H ATOM 49114 OH2 TIP3 3050 2.973 -6.387 3.772 1.00 0.00 WT4 O ATOM 49115 H1 TIP3 3050 12.300 -7.828 6.928 1.00 0.00 WT4 H ATOM 49116 H2 TIP3 3050 -3.384 -18.570 3.295 1.00 0.00 WT4 H ATOM 49117 OH2 TIP3 3070 6.674 -1.901 -7.451 1.00 0.00 WT4 O ATOM 49118 H1 TIP3 3070 28.139 7.797 20.647 1.00 0.00 WT4 H ATOM 49119 H2 TIP3 3070 8.027 -1.409 3.026 1.00 0.00 WT4 H ATOM 49120 OH2 TIP3 3072 2.062 1.117 0.907 1.00 0.00 WT4 O ATOM 49121 H1 TIP3 3072 4.147 2.657 5.328 1.00 0.00 WT4 H ATOM 49122 H2 TIP3 3072 -8.366 -4.031 -2.846 1.00 0.00 WT4 H ATOM 49123 OH2 TIP3 3073 -3.169 -1.583 5.184 1.00 0.00 WT4 O ATOM 49124 H1 TIP3 3073 -1.327 -1.160 -3.682 1.00 0.00 WT4 H ATOM 49125 H2 TIP3 3073 -9.071 -0.862 -5.448 1.00 0.00 WT4 H ATOM 49126 OH2 TIP3 3092 -2.275 5.012 -2.575 1.00 0.00 WT4 O ATOM 49127 H1 TIP3 3092 16.037 -7.760 -28.928 1.00 0.00 WT4 H ATOM 49128 H2 TIP3 3092 25.829 -19.730 -3.872 1.00 0.00 WT4 H ATOM 49129 OH2 TIP3 3095 0.175 -6.731 0.910 1.00 0.00 WT4 O ATOM 49130 H1 TIP3 3095 -2.493 -8.703 6.909 1.00 0.00 WT4 H ATOM 49131 H2 TIP3 3095 10.997 0.792 -24.407 1.00 0.00 WT4 H ATOM 49132 OH2 TIP3 3097 -2.846 1.968 -2.858 1.00 0.00 WT4 O ATOM 49133 H1 TIP3 3097 -11.465 4.288 -12.271 1.00 0.00 WT4 H ATOM 49134 H2 TIP3 3097 -21.943 8.771 -25.333 1.00 0.00 WT4 H ATOM 49135 OH2 TIP3 3108 -0.503 4.126 1.324 1.00 0.00 WT4 O ATOM 49136 H1 TIP3 3108 5.954 -3.540 -3.404 1.00 0.00 WT4 H ATOM 49137 H2 TIP3 3108 -7.590 11.381 5.909 1.00 0.00 WT4 H ATOM 49138 OH2 TIP3 3109 1.286 1.920 5.751 1.00 0.00 WT4 O ATOM 49139 H1 TIP3 3109 1.452 -1.327 6.018 1.00 0.00 WT4 H ATOM 49140 H2 TIP3 3109 1.790 2.228 4.865 1.00 0.00 WT4 H ATOM 49141 OH2 TIP3 3111 -3.233 3.586 4.883 1.00 0.00 WT4 O ATOM 49142 H1 TIP3 3111 26.393 5.946 3.868 1.00 0.00 WT4 H ATOM 49143 H2 TIP3 3111 -8.947 3.001 5.409 1.00 0.00 WT4 H ATOM 49144 OH2 TIP3 3112 -0.268 2.637 -1.323 1.00 0.00 WT4 O ATOM 49145 H1 TIP3 3112 -21.610 11.856 -25.579 1.00 0.00 WT4 H ATOM 49146 H2 TIP3 3112 -1.359 27.897 -3.999 1.00 0.00 WT4 H ATOM 49147 OH2 TIP3 3114 2.581 -2.972 7.098 1.00 0.00 WT4 O ATOM 49148 H1 TIP3 3114 2.173 4.133 -7.257 1.00 0.00 WT4 H ATOM 49149 H2 TIP3 3114 -8.512 9.135 16.770 1.00 0.00 WT4 H ATOM 49150 OH2 TIP3 3115 -3.174 -6.077 -1.681 1.00 0.00 WT4 O ATOM 49151 H1 TIP3 3115 -9.298 8.002 -2.889 1.00 0.00 WT4 H ATOM 49152 H2 TIP3 3115 -5.636 11.179 -4.480 1.00 0.00 WT4 H ATOM 49153 OH2 TIP3 3116 -2.948 -2.285 -2.125 1.00 0.00 WT4 O ATOM 49154 H1 TIP3 3116 0.219 2.320 -24.875 1.00 0.00 WT4 H ATOM 49155 H2 TIP3 3116 7.503 5.113 -20.639 1.00 0.00 WT4 H ATOM 49156 OH2 TIP3 3133 -1.738 -4.996 -3.480 1.00 0.00 WT4 O ATOM 49157 H1 TIP3 3133 -5.523 9.842 -8.500 1.00 0.00 WT4 H ATOM 49158 H2 TIP3 3133 -9.822 26.124 -12.951 1.00 0.00 WT4 H ATOM 49159 OH2 TIP3 3134 -2.146 1.455 -3.340 1.00 0.00 WT4 O ATOM 49160 H1 TIP3 3134 -15.401 1.642 11.637 1.00 0.00 WT4 H ATOM 49161 H2 TIP3 3134 -6.217 -5.158 -11.222 1.00 0.00 WT4 H ATOM 49162 OH2 TIP3 3140 -3.579 -2.514 9.299 1.00 0.00 WT4 O ATOM 49163 H1 TIP3 3140 -4.494 -4.151 10.529 1.00 0.00 WT4 H ATOM 49164 H2 TIP3 3140 -7.357 -8.583 10.599 1.00 0.00 WT4 H ATOM 49165 OH2 TIP3 3150 4.986 -1.061 3.072 1.00 0.00 WT4 O ATOM 49166 H1 TIP3 3150 -12.319 4.940 21.374 1.00 0.00 WT4 H ATOM 49167 H2 TIP3 3150 -13.456 -5.895 -8.133 1.00 0.00 WT4 H ATOM 49168 OH2 TIP3 3151 -3.992 2.428 6.130 1.00 0.00 WT4 O ATOM 49169 H1 TIP3 3151 -17.388 -5.999 -1.456 1.00 0.00 WT4 H ATOM 49170 H2 TIP3 3151 15.718 8.099 13.333 1.00 0.00 WT4 H ATOM 49171 OH2 TIP3 3152 2.042 0.564 2.483 1.00 0.00 WT4 O ATOM 49172 H1 TIP3 3152 -7.189 8.352 -4.115 1.00 0.00 WT4 H ATOM 49173 H2 TIP3 3152 12.997 -5.514 -4.471 1.00 0.00 WT4 H ATOM 49174 OH2 TIP3 3154 -3.837 -5.464 -2.450 1.00 0.00 WT4 O ATOM 49175 H1 TIP3 3154 -13.715 -8.273 20.033 1.00 0.00 WT4 H ATOM 49176 H2 TIP3 3154 5.097 -25.150 -6.632 1.00 0.00 WT4 H ATOM 49177 OH2 TIP3 3157 -0.712 -0.243 -0.903 1.00 0.00 WT4 O ATOM 49178 H1 TIP3 3157 -0.991 7.078 0.415 1.00 0.00 WT4 H ATOM 49179 H2 TIP3 3157 4.657 -3.065 3.243 1.00 0.00 WT4 H ATOM 49180 OH2 TIP3 3173 -3.539 6.516 0.116 1.00 0.00 WT4 O ATOM 49181 H1 TIP3 3173 -7.253 -3.641 -12.244 1.00 0.00 WT4 H ATOM 49182 H2 TIP3 3173 4.288 2.817 8.854 1.00 0.00 WT4 H ATOM 49183 OH2 TIP3 3174 -0.232 1.872 -1.756 1.00 0.00 WT4 O ATOM 49184 H1 TIP3 3174 -3.262 10.817 1.781 1.00 0.00 WT4 H ATOM 49185 H2 TIP3 3174 4.592 -1.791 -8.174 1.00 0.00 WT4 H ATOM 49186 OH2 TIP3 3176 4.414 -2.419 2.518 1.00 0.00 WT4 O ATOM 49187 H1 TIP3 3176 10.351 10.235 -22.051 1.00 0.00 WT4 H ATOM 49188 H2 TIP3 3176 0.118 -14.120 32.093 1.00 0.00 WT4 H ATOM 49189 OH2 TIP3 3177 9.747 -3.137 3.369 1.00 0.00 WT4 O ATOM 49190 H1 TIP3 3177 19.687 14.999 -13.475 1.00 0.00 WT4 H ATOM 49191 H2 TIP3 3177 12.261 19.086 -0.680 1.00 0.00 WT4 H ATOM 49192 OH2 TIP3 3179 0.920 2.419 -3.328 1.00 0.00 WT4 O ATOM 49193 H1 TIP3 3179 17.301 2.965 -8.658 1.00 0.00 WT4 H ATOM 49194 H2 TIP3 3179 0.192 -9.334 7.774 1.00 0.00 WT4 H ATOM 49195 OH2 TIP3 3180 1.130 -4.887 1.056 1.00 0.00 WT4 O ATOM 49196 H1 TIP3 3180 -18.829 -6.629 -10.248 1.00 0.00 WT4 H ATOM 49197 H2 TIP3 3180 -7.488 -7.686 -5.090 1.00 0.00 WT4 H ATOM 49198 OH2 TIP3 3187 -1.873 -0.615 3.425 1.00 0.00 WT4 O ATOM 49199 H1 TIP3 3187 -2.880 4.010 -8.508 1.00 0.00 WT4 H ATOM 49200 H2 TIP3 3187 2.262 0.349 -20.421 1.00 0.00 WT4 H ATOM 49201 OH2 TIP3 3192 2.963 -1.078 -1.798 1.00 0.00 WT4 O ATOM 49202 H1 TIP3 3192 -8.440 -0.729 -0.969 1.00 0.00 WT4 H ATOM 49203 H2 TIP3 3192 2.161 -6.615 -15.084 1.00 0.00 WT4 H ATOM 49204 OH2 TIP3 3193 -3.734 -2.045 1.579 1.00 0.00 WT4 O ATOM 49205 H1 TIP3 3193 -20.763 -2.940 -16.952 1.00 0.00 WT4 H ATOM 49206 H2 TIP3 3193 10.896 17.575 -4.228 1.00 0.00 WT4 H ATOM 49207 OH2 TIP3 3195 8.264 0.415 -6.409 1.00 0.00 WT4 O ATOM 49208 H1 TIP3 3195 -10.136 -5.024 -6.420 1.00 0.00 WT4 H ATOM 49209 H2 TIP3 3195 12.260 6.013 -1.454 1.00 0.00 WT4 H ATOM 49210 OH2 TIP3 3196 2.286 -4.067 -3.569 1.00 0.00 WT4 O ATOM 49211 H1 TIP3 3196 -25.036 0.554 12.565 1.00 0.00 WT4 H ATOM 49212 H2 TIP3 3196 -7.253 -12.360 -9.930 1.00 0.00 WT4 H ATOM 49213 OH2 TIP3 3198 -2.380 -9.722 7.571 1.00 0.00 WT4 O ATOM 49214 H1 TIP3 3198 -9.934 -23.270 -17.275 1.00 0.00 WT4 H ATOM 49215 H2 TIP3 3198 4.372 -19.018 -8.922 1.00 0.00 WT4 H ATOM 49216 OH2 TIP3 3200 3.959 1.607 4.745 1.00 0.00 WT4 O ATOM 49217 H1 TIP3 3200 -3.912 -0.894 18.611 1.00 0.00 WT4 H ATOM 49218 H2 TIP3 3200 9.335 1.067 1.400 1.00 0.00 WT4 H ATOM 49219 OH2 TIP3 3202 -1.631 -5.538 4.018 1.00 0.00 WT4 O ATOM 49220 H1 TIP3 3202 -0.635 -2.435 0.762 1.00 0.00 WT4 H ATOM 49221 H2 TIP3 3202 -0.959 -5.657 3.414 1.00 0.00 WT4 H ATOM 49222 OH2 TIP3 3214 -0.707 1.217 2.451 1.00 0.00 WT4 O ATOM 49223 H1 TIP3 3214 4.279 -10.688 2.447 1.00 0.00 WT4 H ATOM 49224 H2 TIP3 3214 11.316 -9.862 -11.858 1.00 0.00 WT4 H ATOM 49225 OH2 TIP3 3215 6.487 -3.116 -0.209 1.00 0.00 WT4 O ATOM 49226 H1 TIP3 3215 11.386 -6.999 -22.907 1.00 0.00 WT4 H ATOM 49227 H2 TIP3 3215 0.856 -1.134 19.229 1.00 0.00 WT4 H ATOM 49228 OH2 TIP3 3218 -0.545 -0.683 4.947 1.00 0.00 WT4 O ATOM 49229 H1 TIP3 3218 -5.810 -21.570 7.710 1.00 0.00 WT4 H ATOM 49230 H2 TIP3 3218 -11.497 -22.261 5.704 1.00 0.00 WT4 H ATOM 49231 OH2 TIP3 3233 -4.635 -3.734 -6.080 1.00 0.00 WT4 O ATOM 49232 H1 TIP3 3233 -9.888 -3.682 -4.406 1.00 0.00 WT4 H ATOM 49233 H2 TIP3 3233 -11.765 -0.715 -4.823 1.00 0.00 WT4 H ATOM 49234 OH2 TIP3 3234 -3.886 9.959 1.076 1.00 0.00 WT4 O ATOM 49235 H1 TIP3 3234 -3.783 -3.897 4.235 1.00 0.00 WT4 H ATOM 49236 H2 TIP3 3234 -5.289 -3.149 -24.477 1.00 0.00 WT4 H ATOM 49237 OH2 TIP3 3236 -1.678 1.453 2.020 1.00 0.00 WT4 O ATOM 49238 H1 TIP3 3236 -0.746 10.422 2.210 1.00 0.00 WT4 H ATOM 49239 H2 TIP3 3236 11.072 -9.991 -1.489 1.00 0.00 WT4 H ATOM 49240 OH2 TIP3 3237 9.318 -1.716 -2.072 1.00 0.00 WT4 O ATOM 49241 H1 TIP3 3237 -14.070 2.345 0.097 1.00 0.00 WT4 H ATOM 49242 H2 TIP3 3237 14.505 -7.842 -27.331 1.00 0.00 WT4 H ATOM 49243 OH2 TIP3 3238 -2.685 1.817 5.777 1.00 0.00 WT4 O ATOM 49244 H1 TIP3 3238 12.135 -0.692 -7.032 1.00 0.00 WT4 H ATOM 49245 H2 TIP3 3238 -13.476 0.323 -6.221 1.00 0.00 WT4 H ATOM 49246 OH2 TIP3 3240 0.719 -2.882 1.452 1.00 0.00 WT4 O ATOM 49247 H1 TIP3 3240 0.553 15.657 -0.587 1.00 0.00 WT4 H ATOM 49248 H2 TIP3 3240 0.337 0.884 -1.354 1.00 0.00 WT4 H ATOM 49249 OH2 TIP3 3242 -2.264 3.787 3.671 1.00 0.00 WT4 O ATOM 49250 H1 TIP3 3242 -0.766 2.383 2.167 1.00 0.00 WT4 H ATOM 49251 H2 TIP3 3242 0.826 4.704 -5.286 1.00 0.00 WT4 H ATOM 49252 OH2 TIP3 3244 -2.120 -5.723 -7.409 1.00 0.00 WT4 O ATOM 49253 H1 TIP3 3244 2.156 2.765 1.451 1.00 0.00 WT4 H ATOM 49254 H2 TIP3 3244 0.037 13.048 13.100 1.00 0.00 WT4 H ATOM 49255 OH2 TIP3 3257 -3.889 0.316 -3.538 1.00 0.00 WT4 O ATOM 49256 H1 TIP3 3257 -8.310 17.492 -5.289 1.00 0.00 WT4 H ATOM 49257 H2 TIP3 3257 -14.803 -0.115 -7.698 1.00 0.00 WT4 H ATOM 49258 OH2 TIP3 3258 -1.297 -1.216 1.603 1.00 0.00 WT4 O ATOM 49259 H1 TIP3 3258 -6.427 -14.121 14.698 1.00 0.00 WT4 H ATOM 49260 H2 TIP3 3258 16.412 4.128 4.747 1.00 0.00 WT4 H ATOM 49261 OH2 TIP3 3262 -2.180 -6.954 -5.876 1.00 0.00 WT4 O ATOM 49262 H1 TIP3 3262 8.951 -7.611 1.802 1.00 0.00 WT4 H ATOM 49263 H2 TIP3 3262 2.705 -7.141 -1.217 1.00 0.00 WT4 H ATOM 49264 OH2 TIP3 3274 -4.897 -0.187 2.503 1.00 0.00 WT4 O ATOM 49265 H1 TIP3 3274 1.607 -5.537 10.900 1.00 0.00 WT4 H ATOM 49266 H2 TIP3 3274 -4.818 -4.707 -0.007 1.00 0.00 WT4 H ATOM 49267 OH2 TIP3 3275 6.257 2.250 5.573 1.00 0.00 WT4 O ATOM 49268 H1 TIP3 3275 -10.847 -10.522 -14.879 1.00 0.00 WT4 H ATOM 49269 H2 TIP3 3275 0.944 5.335 4.212 1.00 0.00 WT4 H ATOM 49270 OH2 TIP3 3280 0.149 0.370 -6.986 1.00 0.00 WT4 O ATOM 49271 H1 TIP3 3280 -18.594 7.501 -0.616 1.00 0.00 WT4 H ATOM 49272 H2 TIP3 3280 11.902 11.327 8.375 1.00 0.00 WT4 H ATOM 49273 OH2 TIP3 3282 -0.265 10.967 8.199 1.00 0.00 WT4 O ATOM 49274 H1 TIP3 3282 -26.433 0.144 -4.759 1.00 0.00 WT4 H ATOM 49275 H2 TIP3 3282 -6.027 2.164 0.491 1.00 0.00 WT4 H ATOM 49276 OH2 TIP3 3296 -0.443 -4.095 1.415 1.00 0.00 WT4 O ATOM 49277 H1 TIP3 3296 -4.667 7.637 4.584 1.00 0.00 WT4 H ATOM 49278 H2 TIP3 3296 -15.805 26.684 24.831 1.00 0.00 WT4 H ATOM 49279 OH2 TIP3 3301 5.578 -1.019 4.508 1.00 0.00 WT4 O ATOM 49280 H1 TIP3 3301 -21.708 13.458 -3.599 1.00 0.00 WT4 H ATOM 49281 H2 TIP3 3301 -9.339 9.880 -1.635 1.00 0.00 WT4 H ATOM 49282 OH2 TIP3 3302 4.408 -5.267 0.629 1.00 0.00 WT4 O ATOM 49283 H1 TIP3 3302 10.154 13.936 22.380 1.00 0.00 WT4 H ATOM 49284 H2 TIP3 3302 5.511 -8.421 3.609 1.00 0.00 WT4 H ATOM 49285 OH2 TIP3 3303 -0.518 1.966 7.053 1.00 0.00 WT4 O ATOM 49286 H1 TIP3 3303 -22.355 -0.983 -21.359 1.00 0.00 WT4 H ATOM 49287 H2 TIP3 3303 -12.315 8.032 23.790 1.00 0.00 WT4 H ATOM 49288 OH2 TIP3 3304 -2.127 -3.988 -5.818 1.00 0.00 WT4 O ATOM 49289 H1 TIP3 3304 5.986 -2.849 -11.789 1.00 0.00 WT4 H ATOM 49290 H2 TIP3 3304 3.317 -11.775 -6.952 1.00 0.00 WT4 H ATOM 49291 OH2 TIP3 3317 -2.091 0.188 -2.073 1.00 0.00 WT4 O ATOM 49292 H1 TIP3 3317 0.229 12.841 15.507 1.00 0.00 WT4 H ATOM 49293 H2 TIP3 3317 1.575 -18.218 5.266 1.00 0.00 WT4 H ATOM 49294 OH2 TIP3 3347 1.095 -1.676 -1.165 1.00 0.00 WT4 O ATOM 49295 H1 TIP3 3347 -0.846 -6.238 2.481 1.00 0.00 WT4 H ATOM 49296 H2 TIP3 3347 -3.970 0.950 -4.059 1.00 0.00 WT4 H ATOM 49297 OH2 TIP3 3348 -1.999 -5.221 4.047 1.00 0.00 WT4 O ATOM 49298 H1 TIP3 3348 5.391 20.866 -7.871 1.00 0.00 WT4 H ATOM 49299 H2 TIP3 3348 -16.382 -11.193 3.394 1.00 0.00 WT4 H ATOM 49300 OH2 TIP3 3367 2.749 5.119 3.421 1.00 0.00 WT4 O ATOM 49301 H1 TIP3 3367 -2.142 17.730 -7.810 1.00 0.00 WT4 H ATOM 49302 H2 TIP3 3367 12.865 -6.244 2.025 1.00 0.00 WT4 H ATOM 49303 OH2 TIP3 3382 -2.261 -2.704 2.306 1.00 0.00 WT4 O ATOM 49304 H1 TIP3 3382 7.618 -12.977 4.955 1.00 0.00 WT4 H ATOM 49305 H2 TIP3 3382 -11.117 -6.649 14.614 1.00 0.00 WT4 H ATOM 49306 OH2 TIP3 3408 5.560 1.820 -0.706 1.00 0.00 WT4 O ATOM 49307 H1 TIP3 3408 -11.905 1.743 25.179 1.00 0.00 WT4 H ATOM 49308 H2 TIP3 3408 2.635 -12.107 -3.906 1.00 0.00 WT4 H ATOM 49309 OH2 TIP3 3426 -1.173 -1.211 2.739 1.00 0.00 WT4 O ATOM 49310 H1 TIP3 3426 -3.090 3.168 -5.951 1.00 0.00 WT4 H ATOM 49311 H2 TIP3 3426 0.771 21.900 -1.057 1.00 0.00 WT4 H ATOM 49312 OH2 TIP3 3442 -3.705 9.451 6.557 1.00 0.00 WT4 O ATOM 49313 H1 TIP3 3442 -5.958 -5.116 10.746 1.00 0.00 WT4 H ATOM 49314 H2 TIP3 3442 -9.922 -0.189 -4.560 1.00 0.00 WT4 H ATOM 49315 OH2 TIP3 3447 -1.584 -3.725 -5.038 1.00 0.00 WT4 O ATOM 49316 H1 TIP3 3447 -6.760 -4.707 -4.591 1.00 0.00 WT4 H ATOM 49317 H2 TIP3 3447 -4.455 -4.357 -1.356 1.00 0.00 WT4 H ATOM 49318 OH2 TIP3 3484 -6.432 0.123 3.811 1.00 0.00 WT4 O ATOM 49319 H1 TIP3 3484 3.583 7.720 6.125 1.00 0.00 WT4 H ATOM 49320 H2 TIP3 3484 -11.929 -1.020 0.308 1.00 0.00 WT4 H ATOM 49321 OH2 TIP3 3511 5.393 -2.067 0.973 1.00 0.00 WT4 O ATOM 49322 H1 TIP3 3511 -5.608 25.313 5.360 1.00 0.00 WT4 H ATOM 49323 H2 TIP3 3511 -7.121 -2.369 -19.675 1.00 0.00 WT4 H ATOM 49324 OH2 TIP3 3513 2.486 -5.168 -0.766 1.00 0.00 WT4 O ATOM 49325 H1 TIP3 3513 -8.167 -9.103 20.888 1.00 0.00 WT4 H ATOM 49326 H2 TIP3 3513 5.407 12.081 1.961 1.00 0.00 WT4 H ATOM 49327 OH2 TIP3 3514 -1.345 -0.164 3.247 1.00 0.00 WT4 O ATOM 49328 H1 TIP3 3514 4.478 -5.829 5.383 1.00 0.00 WT4 H ATOM 49329 H2 TIP3 3514 -0.450 5.551 19.153 1.00 0.00 WT4 H ATOM 49330 OH2 TIP3 3526 0.023 -4.581 3.291 1.00 0.00 WT4 O ATOM 49331 H1 TIP3 3526 -31.039 12.327 19.987 1.00 0.00 WT4 H ATOM 49332 H2 TIP3 3526 -20.556 19.753 -29.348 1.00 0.00 WT4 H ATOM 49333 OH2 TIP3 3527 -4.005 1.178 -2.047 1.00 0.00 WT4 O ATOM 49334 H1 TIP3 3527 1.212 14.218 -26.048 1.00 0.00 WT4 H ATOM 49335 H2 TIP3 3527 -15.501 1.374 0.615 1.00 0.00 WT4 H ATOM 49336 OH2 TIP3 3533 4.846 0.051 -5.786 1.00 0.00 WT4 O ATOM 49337 H1 TIP3 3533 7.345 -17.996 -17.713 1.00 0.00 WT4 H ATOM 49338 H2 TIP3 3533 -8.662 -5.777 -4.829 1.00 0.00 WT4 H ATOM 49339 OH2 TIP3 3534 6.097 -2.789 -1.199 1.00 0.00 WT4 O ATOM 49340 H1 TIP3 3534 0.579 -1.060 -21.576 1.00 0.00 WT4 H ATOM 49341 H2 TIP3 3534 24.418 -12.968 -0.014 1.00 0.00 WT4 H ATOM 49342 OH2 TIP3 3545 5.284 0.028 -0.876 1.00 0.00 WT4 O ATOM 49343 H1 TIP3 3545 7.684 18.013 4.416 1.00 0.00 WT4 H ATOM 49344 H2 TIP3 3545 -13.134 -4.249 4.295 1.00 0.00 WT4 H ATOM 49345 OH2 TIP3 3548 1.221 2.778 -4.572 1.00 0.00 WT4 O ATOM 49346 H1 TIP3 3548 -10.812 -12.136 -12.978 1.00 0.00 WT4 H ATOM 49347 H2 TIP3 3548 17.020 3.101 -4.064 1.00 0.00 WT4 H ATOM 49348 OH2 TIP3 3554 2.545 3.315 -6.935 1.00 0.00 WT4 O ATOM 49349 H1 TIP3 3554 1.783 -4.073 -6.440 1.00 0.00 WT4 H ATOM 49350 H2 TIP3 3554 1.297 -1.728 -3.245 1.00 0.00 WT4 H ATOM 49351 OH2 TIP3 3555 4.029 -5.534 8.938 1.00 0.00 WT4 O ATOM 49352 H1 TIP3 3555 -11.949 8.434 -6.523 1.00 0.00 WT4 H ATOM 49353 H2 TIP3 3555 -6.586 4.898 -13.463 1.00 0.00 WT4 H ATOM 49354 OH2 TIP3 3569 2.914 5.269 5.644 1.00 0.00 WT4 O ATOM 49355 H1 TIP3 3569 -13.997 9.003 -8.806 1.00 0.00 WT4 H ATOM 49356 H2 TIP3 3569 6.372 5.740 -9.353 1.00 0.00 WT4 H ATOM 49357 OH2 TIP3 3573 3.349 -2.105 -4.886 1.00 0.00 WT4 O ATOM 49358 H1 TIP3 3573 -2.046 7.464 -7.714 1.00 0.00 WT4 H ATOM 49359 H2 TIP3 3573 -2.148 7.354 -11.088 1.00 0.00 WT4 H ATOM 49360 OH2 TIP3 3575 4.149 -0.154 0.341 1.00 0.00 WT4 O ATOM 49361 H1 TIP3 3575 20.165 11.058 -15.635 1.00 0.00 WT4 H ATOM 49362 H2 TIP3 3575 -10.838 -10.161 16.510 1.00 0.00 WT4 H ATOM 49363 OH2 TIP3 3593 -1.988 1.755 3.268 1.00 0.00 WT4 O ATOM 49364 H1 TIP3 3593 0.183 -6.285 -9.148 1.00 0.00 WT4 H ATOM 49365 H2 TIP3 3593 -9.035 -21.562 3.547 1.00 0.00 WT4 H ATOM 49366 OH2 TIP3 3595 -0.119 -1.950 0.747 1.00 0.00 WT4 O ATOM 49367 H1 TIP3 3595 4.218 22.852 -24.380 1.00 0.00 WT4 H ATOM 49368 H2 TIP3 3595 4.697 1.898 -4.948 1.00 0.00 WT4 H ATOM 49369 OH2 TIP3 3596 2.090 4.141 0.434 1.00 0.00 WT4 O ATOM 49370 H1 TIP3 3596 7.182 2.842 10.766 1.00 0.00 WT4 H ATOM 49371 H2 TIP3 3596 15.334 -3.433 7.757 1.00 0.00 WT4 H ATOM 49372 OH2 TIP3 3597 -0.773 0.020 -7.109 1.00 0.00 WT4 O ATOM 49373 H1 TIP3 3597 1.174 -3.858 -11.357 1.00 0.00 WT4 H ATOM 49374 H2 TIP3 3597 4.317 -0.101 -14.541 1.00 0.00 WT4 H ATOM 49375 OH2 TIP3 3599 -2.352 1.033 2.242 1.00 0.00 WT4 O ATOM 49376 H1 TIP3 3599 -8.489 -5.073 0.117 1.00 0.00 WT4 H ATOM 49377 H2 TIP3 3599 -1.856 22.763 1.985 1.00 0.00 WT4 H ATOM 49378 OH2 TIP3 3614 2.257 -0.368 -1.877 1.00 0.00 WT4 O ATOM 49379 H1 TIP3 3614 5.586 13.292 5.813 1.00 0.00 WT4 H ATOM 49380 H2 TIP3 3614 12.408 -11.445 12.317 1.00 0.00 WT4 H ATOM 49381 OH2 TIP3 3615 5.020 2.666 3.190 1.00 0.00 WT4 O ATOM 49382 H1 TIP3 3615 16.695 36.472 0.121 1.00 0.00 WT4 H ATOM 49383 H2 TIP3 3615 4.870 -0.465 1.478 1.00 0.00 WT4 H ATOM 49384 OH2 TIP3 3623 3.830 -2.924 7.217 1.00 0.00 WT4 O ATOM 49385 H1 TIP3 3623 14.607 20.182 -2.400 1.00 0.00 WT4 H ATOM 49386 H2 TIP3 3623 -3.161 -18.861 27.389 1.00 0.00 WT4 H ATOM 49387 OH2 TIP3 3633 -4.461 -6.151 -1.718 1.00 0.00 WT4 O ATOM 49388 H1 TIP3 3633 -23.223 -7.257 -10.949 1.00 0.00 WT4 H ATOM 49389 H2 TIP3 3633 0.160 -16.550 -23.533 1.00 0.00 WT4 H ATOM 49390 OH2 TIP3 3634 1.690 -0.002 -2.654 1.00 0.00 WT4 O ATOM 49391 H1 TIP3 3634 -6.255 -13.807 -11.642 1.00 0.00 WT4 H ATOM 49392 H2 TIP3 3634 1.994 -7.858 -27.612 1.00 0.00 WT4 H ATOM 49393 OH2 TIP3 3636 0.699 -2.101 -5.706 1.00 0.00 WT4 O ATOM 49394 H1 TIP3 3636 3.092 -11.839 -15.882 1.00 0.00 WT4 H ATOM 49395 H2 TIP3 3636 -11.104 23.712 10.175 1.00 0.00 WT4 H ATOM 49396 OH2 TIP3 3638 2.355 -3.215 0.534 1.00 0.00 WT4 O ATOM 49397 H1 TIP3 3638 -7.163 2.232 13.684 1.00 0.00 WT4 H ATOM 49398 H2 TIP3 3638 23.220 -0.810 21.197 1.00 0.00 WT4 H ATOM 49399 OH2 TIP3 3639 1.313 3.682 5.507 1.00 0.00 WT4 O ATOM 49400 H1 TIP3 3639 36.859 1.837 -14.625 1.00 0.00 WT4 H ATOM 49401 H2 TIP3 3639 13.369 5.644 -13.723 1.00 0.00 WT4 H ATOM 49402 OH2 TIP3 3641 -2.660 3.169 6.426 1.00 0.00 WT4 O ATOM 49403 H1 TIP3 3641 41.013 -18.722 7.128 1.00 0.00 WT4 H ATOM 49404 H2 TIP3 3641 -8.390 5.376 5.176 1.00 0.00 WT4 H ATOM 49405 OH2 TIP3 3650 -6.954 -1.674 -2.497 1.00 0.00 WT4 O ATOM 49406 H1 TIP3 3650 0.991 -0.329 7.895 1.00 0.00 WT4 H ATOM 49407 H2 TIP3 3650 6.428 -4.898 -8.439 1.00 0.00 WT4 H ATOM 49408 OH2 TIP3 3651 -1.369 -5.020 -0.021 1.00 0.00 WT4 O ATOM 49409 H1 TIP3 3651 -14.028 22.579 2.438 1.00 0.00 WT4 H ATOM 49410 H2 TIP3 3651 0.439 -8.888 -0.017 1.00 0.00 WT4 H ATOM 49411 OH2 TIP3 3653 2.492 -2.209 3.142 1.00 0.00 WT4 O ATOM 49412 H1 TIP3 3653 -11.492 12.490 5.933 1.00 0.00 WT4 H ATOM 49413 H2 TIP3 3653 13.706 -11.105 9.368 1.00 0.00 WT4 H ATOM 49414 OH2 TIP3 3660 0.034 -2.965 -2.479 1.00 0.00 WT4 O ATOM 49415 H1 TIP3 3660 -12.814 -5.074 -5.143 1.00 0.00 WT4 H ATOM 49416 H2 TIP3 3660 1.433 2.971 -10.117 1.00 0.00 WT4 H ATOM 49417 OH2 TIP3 3661 3.622 -2.594 -1.057 1.00 0.00 WT4 O ATOM 49418 H1 TIP3 3661 6.219 2.707 7.866 1.00 0.00 WT4 H ATOM 49419 H2 TIP3 3661 11.330 -14.243 -9.912 1.00 0.00 WT4 H ATOM 49420 OH2 TIP3 3662 6.001 7.662 -1.494 1.00 0.00 WT4 O ATOM 49421 H1 TIP3 3662 21.347 5.448 -12.088 1.00 0.00 WT4 H ATOM 49422 H2 TIP3 3662 -8.814 8.312 27.499 1.00 0.00 WT4 H ATOM 49423 OH2 TIP3 3674 -7.637 5.132 -6.184 1.00 0.00 WT4 O ATOM 49424 H1 TIP3 3674 -1.568 12.735 -1.397 1.00 0.00 WT4 H ATOM 49425 H2 TIP3 3674 3.373 4.781 -3.762 1.00 0.00 WT4 H ATOM 49426 OH2 TIP3 3675 -3.976 6.189 10.061 1.00 0.00 WT4 O ATOM 49427 H1 TIP3 3675 1.198 8.145 5.584 1.00 0.00 WT4 H ATOM 49428 H2 TIP3 3675 -12.217 0.815 5.358 1.00 0.00 WT4 H ATOM 49429 OH2 TIP3 3693 5.859 1.638 0.415 1.00 0.00 WT4 O ATOM 49430 H1 TIP3 3693 -0.294 4.533 -4.081 1.00 0.00 WT4 H ATOM 49431 H2 TIP3 3693 17.251 -1.943 6.714 1.00 0.00 WT4 H ATOM 49432 OH2 TIP3 3697 -5.161 4.704 7.137 1.00 0.00 WT4 O ATOM 49433 H1 TIP3 3697 -5.758 9.288 11.503 1.00 0.00 WT4 H ATOM 49434 H2 TIP3 3697 -25.290 7.427 -13.620 1.00 0.00 WT4 H ATOM 49435 OH2 TIP3 3700 -5.182 4.471 0.717 1.00 0.00 WT4 O ATOM 49436 H1 TIP3 3700 -10.434 -2.493 3.068 1.00 0.00 WT4 H ATOM 49437 H2 TIP3 3700 -14.427 1.724 -17.691 1.00 0.00 WT4 H ATOM 49438 OH2 TIP3 3701 1.773 5.033 -2.976 1.00 0.00 WT4 O ATOM 49439 H1 TIP3 3701 3.433 6.078 10.498 1.00 0.00 WT4 H ATOM 49440 H2 TIP3 3701 7.500 24.369 28.958 1.00 0.00 WT4 H ATOM 49441 OH2 TIP3 3703 1.396 2.820 2.384 1.00 0.00 WT4 O ATOM 49442 H1 TIP3 3703 4.666 3.641 7.469 1.00 0.00 WT4 H ATOM 49443 H2 TIP3 3703 -15.361 31.232 8.389 1.00 0.00 WT4 H ATOM 49444 OH2 TIP3 3708 -5.642 4.456 -5.366 1.00 0.00 WT4 O ATOM 49445 H1 TIP3 3708 4.095 23.609 22.345 1.00 0.00 WT4 H ATOM 49446 H2 TIP3 3708 13.889 18.506 9.210 1.00 0.00 WT4 H ATOM 49447 OH2 TIP3 3718 2.699 -0.741 -3.776 1.00 0.00 WT4 O ATOM 49448 H1 TIP3 3718 -13.492 12.672 5.120 1.00 0.00 WT4 H ATOM 49449 H2 TIP3 3718 6.833 -17.686 0.127 1.00 0.00 WT4 H ATOM 49450 OH2 TIP3 3720 -2.204 -2.690 -2.531 1.00 0.00 WT4 O ATOM 49451 H1 TIP3 3720 -18.942 -16.185 -10.261 1.00 0.00 WT4 H ATOM 49452 H2 TIP3 3720 -6.765 -3.526 -18.935 1.00 0.00 WT4 H ATOM 49453 OH2 TIP3 3721 0.799 -0.372 -0.166 1.00 0.00 WT4 O ATOM 49454 H1 TIP3 3721 11.020 -2.707 -11.225 1.00 0.00 WT4 H ATOM 49455 H2 TIP3 3721 -17.547 1.077 -4.175 1.00 0.00 WT4 H ATOM 49456 OH2 TIP3 3722 -4.582 3.594 -4.189 1.00 0.00 WT4 O ATOM 49457 H1 TIP3 3722 2.050 17.152 -14.440 1.00 0.00 WT4 H ATOM 49458 H2 TIP3 3722 0.566 4.053 14.727 1.00 0.00 WT4 H ATOM 49459 OH2 TIP3 3723 3.818 3.398 1.982 1.00 0.00 WT4 O ATOM 49460 H1 TIP3 3723 2.722 -2.177 14.731 1.00 0.00 WT4 H ATOM 49461 H2 TIP3 3723 7.776 4.350 -3.508 1.00 0.00 WT4 H ATOM 49462 OH2 TIP3 3727 0.988 3.326 -1.254 1.00 0.00 WT4 O ATOM 49463 H1 TIP3 3727 2.409 3.464 6.409 1.00 0.00 WT4 H ATOM 49464 H2 TIP3 3727 -0.854 -20.820 2.492 1.00 0.00 WT4 H ATOM 49465 OH2 TIP3 3740 -1.241 3.688 1.895 1.00 0.00 WT4 O ATOM 49466 H1 TIP3 3740 -5.883 0.628 -13.100 1.00 0.00 WT4 H ATOM 49467 H2 TIP3 3740 8.581 11.073 -2.643 1.00 0.00 WT4 H ATOM 49468 OH2 TIP3 3757 2.307 -5.270 -2.168 1.00 0.00 WT4 O ATOM 49469 H1 TIP3 3757 10.652 -2.488 -8.811 1.00 0.00 WT4 H ATOM 49470 H2 TIP3 3757 15.746 -2.753 -3.792 1.00 0.00 WT4 H ATOM 49471 OH2 TIP3 3821 0.479 -0.888 -3.193 1.00 0.00 WT4 O ATOM 49472 H1 TIP3 3821 -5.881 -6.761 5.230 1.00 0.00 WT4 H ATOM 49473 H2 TIP3 3821 -18.995 4.141 5.621 1.00 0.00 WT4 H ATOM 49474 OH2 TIP3 3829 5.844 2.594 -1.120 1.00 0.00 WT4 O ATOM 49475 H1 TIP3 3829 3.728 3.721 8.209 1.00 0.00 WT4 H ATOM 49476 H2 TIP3 3829 -1.993 -14.620 -6.239 1.00 0.00 WT4 H ATOM 49477 OH2 TIP3 3925 -4.069 -3.738 7.100 1.00 0.00 WT4 O ATOM 49478 H1 TIP3 3925 8.516 17.775 10.071 1.00 0.00 WT4 H ATOM 49479 H2 TIP3 3925 -8.580 -1.032 -8.283 1.00 0.00 WT4 H ATOM 49480 OH2 TIP3 3931 -0.942 -1.673 2.718 1.00 0.00 WT4 O ATOM 49481 H1 TIP3 3931 -18.290 -4.609 -3.881 1.00 0.00 WT4 H ATOM 49482 H2 TIP3 3931 8.470 2.359 3.887 1.00 0.00 WT4 H ATOM 49483 OH2 TIP3 3933 -4.232 5.258 -0.469 1.00 0.00 WT4 O ATOM 49484 H1 TIP3 3933 -8.677 -7.765 -4.007 1.00 0.00 WT4 H ATOM 49485 H2 TIP3 3933 2.354 4.942 4.605 1.00 0.00 WT4 H ATOM 49486 OH2 TIP3 3951 -0.217 4.691 0.468 1.00 0.00 WT4 O ATOM 49487 H1 TIP3 3951 5.269 -4.443 6.497 1.00 0.00 WT4 H ATOM 49488 H2 TIP3 3951 -15.245 1.640 -11.114 1.00 0.00 WT4 H ATOM 49489 OH2 TIP3 3973 2.043 0.920 1.555 1.00 0.00 WT4 O ATOM 49490 H1 TIP3 3973 15.657 12.953 -4.252 1.00 0.00 WT4 H ATOM 49491 H2 TIP3 3973 -4.515 -1.067 -22.382 1.00 0.00 WT4 H ATOM 49492 OH2 TIP3 3974 6.065 -1.486 -0.934 1.00 0.00 WT4 O ATOM 49493 H1 TIP3 3974 -1.064 -0.796 1.581 1.00 0.00 WT4 H ATOM 49494 H2 TIP3 3974 -9.788 -13.527 8.582 1.00 0.00 WT4 H ATOM 49495 OH2 TIP3 3975 0.778 -2.762 1.573 1.00 0.00 WT4 O ATOM 49496 H1 TIP3 3975 -14.717 -2.459 0.411 1.00 0.00 WT4 H ATOM 49497 H2 TIP3 3975 9.719 -8.539 -6.672 1.00 0.00 WT4 H ATOM 49498 OH2 TIP3 3976 4.287 11.548 1.980 1.00 0.00 WT4 O ATOM 49499 H1 TIP3 3976 7.461 -0.818 18.542 1.00 0.00 WT4 H ATOM 49500 H2 TIP3 3976 -15.305 0.591 0.926 1.00 0.00 WT4 H ATOM 49501 OH2 TIP3 3977 2.003 -0.706 -4.692 1.00 0.00 WT4 O ATOM 49502 H1 TIP3 3977 -0.466 -7.093 1.736 1.00 0.00 WT4 H ATOM 49503 H2 TIP3 3977 6.001 -7.125 3.099 1.00 0.00 WT4 H ATOM 49504 OH2 TIP3 3991 2.944 -4.399 -0.210 1.00 0.00 WT4 O ATOM 49505 H1 TIP3 3991 16.093 15.221 -4.645 1.00 0.00 WT4 H ATOM 49506 H2 TIP3 3991 13.144 9.350 -21.164 1.00 0.00 WT4 H ATOM 49507 OH2 TIP3 3992 10.468 1.711 6.349 1.00 0.00 WT4 O ATOM 49508 H1 TIP3 3992 7.180 -16.381 12.625 1.00 0.00 WT4 H ATOM 49509 H2 TIP3 3992 8.743 -11.934 2.530 1.00 0.00 WT4 H ATOM 49510 OH2 TIP3 3993 0.890 -6.028 2.431 1.00 0.00 WT4 O ATOM 49511 H1 TIP3 3993 4.794 -18.354 9.845 1.00 0.00 WT4 H ATOM 49512 H2 TIP3 3993 12.567 3.875 -6.142 1.00 0.00 WT4 H ATOM 49513 OH2 TIP3 3995 3.002 -4.529 -0.856 1.00 0.00 WT4 O ATOM 49514 H1 TIP3 3995 6.102 8.978 16.393 1.00 0.00 WT4 H ATOM 49515 H2 TIP3 3995 -0.108 -11.722 8.480 1.00 0.00 WT4 H ATOM 49516 OH2 TIP3 4009 -0.638 -2.217 1.619 1.00 0.00 WT4 O ATOM 49517 H1 TIP3 4009 -6.362 0.587 3.004 1.00 0.00 WT4 H ATOM 49518 H2 TIP3 4009 9.225 3.456 11.367 1.00 0.00 WT4 H ATOM 49519 OH2 TIP3 4010 2.757 -4.704 2.418 1.00 0.00 WT4 O ATOM 49520 H1 TIP3 4010 -13.090 -3.107 -3.920 1.00 0.00 WT4 H ATOM 49521 H2 TIP3 4010 3.165 6.707 12.687 1.00 0.00 WT4 H ATOM 49522 OH2 TIP3 4012 -4.852 -0.285 3.227 1.00 0.00 WT4 O ATOM 49523 H1 TIP3 4012 24.872 -2.218 13.805 1.00 0.00 WT4 H ATOM 49524 H2 TIP3 4012 -1.401 -26.274 -2.956 1.00 0.00 WT4 H ATOM 49525 OH2 TIP3 4014 3.063 -8.664 1.182 1.00 0.00 WT4 O ATOM 49526 H1 TIP3 4014 5.881 -5.915 2.638 1.00 0.00 WT4 H ATOM 49527 H2 TIP3 4014 -12.486 2.898 0.408 1.00 0.00 WT4 H ATOM 49528 OH2 TIP3 4015 3.456 1.920 -5.503 1.00 0.00 WT4 O ATOM 49529 H1 TIP3 4015 -4.674 -3.601 -7.090 1.00 0.00 WT4 H ATOM 49530 H2 TIP3 4015 17.585 0.669 5.408 1.00 0.00 WT4 H ATOM 49531 OH2 TIP3 4016 1.333 2.207 -0.366 1.00 0.00 WT4 O ATOM 49532 H1 TIP3 4016 12.532 -15.644 12.111 1.00 0.00 WT4 H ATOM 49533 H2 TIP3 4016 0.186 6.858 7.963 1.00 0.00 WT4 H ATOM 49534 OH2 TIP3 4017 -7.410 8.427 -4.545 1.00 0.00 WT4 O ATOM 49535 H1 TIP3 4017 1.018 -0.613 1.245 1.00 0.00 WT4 H ATOM 49536 H2 TIP3 4017 -16.087 0.583 -4.138 1.00 0.00 WT4 H ATOM 49537 OH2 TIP3 4021 0.558 4.943 1.798 1.00 0.00 WT4 O ATOM 49538 H1 TIP3 4021 -5.579 14.175 4.292 1.00 0.00 WT4 H ATOM 49539 H2 TIP3 4021 -9.252 -0.623 -5.363 1.00 0.00 WT4 H ATOM 49540 OH2 TIP3 4022 1.015 -6.518 2.475 1.00 0.00 WT4 O ATOM 49541 H1 TIP3 4022 9.953 -5.628 -12.224 1.00 0.00 WT4 H ATOM 49542 H2 TIP3 4022 -7.550 -7.472 18.190 1.00 0.00 WT4 H ATOM 49543 OH2 TIP3 4030 -0.842 -1.640 -0.883 1.00 0.00 WT4 O ATOM 49544 H1 TIP3 4030 -12.999 -2.867 -12.825 1.00 0.00 WT4 H ATOM 49545 H2 TIP3 4030 -6.034 -3.260 -5.283 1.00 0.00 WT4 H ATOM 49546 OH2 TIP3 4035 -4.888 1.104 1.477 1.00 0.00 WT4 O ATOM 49547 H1 TIP3 4035 18.054 8.335 -2.358 1.00 0.00 WT4 H ATOM 49548 H2 TIP3 4035 10.047 18.403 -3.000 1.00 0.00 WT4 H ATOM 49549 OH2 TIP3 4036 -1.416 -6.670 -0.182 1.00 0.00 WT4 O ATOM 49550 H1 TIP3 4036 -13.394 -3.172 5.981 1.00 0.00 WT4 H ATOM 49551 H2 TIP3 4036 15.831 -2.842 24.587 1.00 0.00 WT4 H ATOM 49552 OH2 TIP3 4040 -6.188 1.281 0.050 1.00 0.00 WT4 O ATOM 49553 H1 TIP3 4040 -10.038 -3.963 9.850 1.00 0.00 WT4 H ATOM 49554 H2 TIP3 4040 -6.953 -0.915 7.156 1.00 0.00 WT4 H ATOM 49555 OH2 TIP3 4053 3.173 -0.669 -1.684 1.00 0.00 WT4 O ATOM 49556 H1 TIP3 4053 14.879 8.045 16.392 1.00 0.00 WT4 H ATOM 49557 H2 TIP3 4053 -6.087 -12.840 -22.556 1.00 0.00 WT4 H ATOM 49558 OH2 TIP3 4054 5.752 2.175 0.710 1.00 0.00 WT4 O ATOM 49559 H1 TIP3 4054 8.057 0.800 -4.529 1.00 0.00 WT4 H ATOM 49560 H2 TIP3 4054 3.877 -0.852 1.084 1.00 0.00 WT4 H ATOM 49561 OH2 TIP3 4055 1.462 -3.494 -5.575 1.00 0.00 WT4 O ATOM 49562 H1 TIP3 4055 -0.148 -1.987 -8.046 1.00 0.00 WT4 H ATOM 49563 H2 TIP3 4055 5.962 -6.313 1.638 1.00 0.00 WT4 H ATOM 49564 OH2 TIP3 4056 -10.558 0.249 4.460 1.00 0.00 WT4 O ATOM 49565 H1 TIP3 4056 -8.632 -5.052 -0.029 1.00 0.00 WT4 H ATOM 49566 H2 TIP3 4056 -11.784 6.667 11.933 1.00 0.00 WT4 H ATOM 49567 OH2 TIP3 4057 5.805 -1.489 -3.004 1.00 0.00 WT4 O ATOM 49568 H1 TIP3 4057 8.631 -17.938 9.675 1.00 0.00 WT4 H ATOM 49569 H2 TIP3 4057 7.444 -1.895 0.008 1.00 0.00 WT4 H ATOM 49570 OH2 TIP3 4058 7.400 6.324 -1.508 1.00 0.00 WT4 O ATOM 49571 H1 TIP3 4058 -1.578 -5.351 -8.897 1.00 0.00 WT4 H ATOM 49572 H2 TIP3 4058 -11.866 -4.963 5.836 1.00 0.00 WT4 H ATOM 49573 OH2 TIP3 4059 -7.057 -1.139 -4.014 1.00 0.00 WT4 O ATOM 49574 H1 TIP3 4059 -10.868 -0.514 -5.958 1.00 0.00 WT4 H ATOM 49575 H2 TIP3 4059 -5.894 -4.868 -1.257 1.00 0.00 WT4 H ATOM 49576 OH2 TIP3 4060 0.157 -1.378 -3.321 1.00 0.00 WT4 O ATOM 49577 H1 TIP3 4060 15.520 2.142 -8.016 1.00 0.00 WT4 H ATOM 49578 H2 TIP3 4060 28.282 -0.961 -12.060 1.00 0.00 WT4 H ATOM 49579 OH2 TIP3 4064 1.997 -1.454 1.243 1.00 0.00 WT4 O ATOM 49580 H1 TIP3 4064 -3.053 -2.015 -18.855 1.00 0.00 WT4 H ATOM 49581 H2 TIP3 4064 15.646 19.155 1.561 1.00 0.00 WT4 H ATOM 49582 OH2 TIP3 4072 6.857 5.695 0.368 1.00 0.00 WT4 O ATOM 49583 H1 TIP3 4072 -21.984 -8.500 -8.277 1.00 0.00 WT4 H ATOM 49584 H2 TIP3 4072 11.987 5.908 2.027 1.00 0.00 WT4 H ATOM 49585 OH2 TIP3 4074 -8.243 -3.089 -5.365 1.00 0.00 WT4 O ATOM 49586 H1 TIP3 4074 14.261 8.274 5.070 1.00 0.00 WT4 H ATOM 49587 H2 TIP3 4074 -17.748 -7.326 17.927 1.00 0.00 WT4 H ATOM 49588 OH2 TIP3 4076 -6.018 -1.982 -7.914 1.00 0.00 WT4 O ATOM 49589 H1 TIP3 4076 -1.957 -14.042 -2.591 1.00 0.00 WT4 H ATOM 49590 H2 TIP3 4076 -6.291 -5.593 -14.654 1.00 0.00 WT4 H ATOM 49591 OH2 TIP3 4077 6.616 0.159 0.736 1.00 0.00 WT4 O ATOM 49592 H1 TIP3 4077 18.500 -1.256 12.863 1.00 0.00 WT4 H ATOM 49593 H2 TIP3 4077 13.870 8.921 2.058 1.00 0.00 WT4 H ATOM 49594 OH2 TIP3 4078 -7.690 -8.940 -2.181 1.00 0.00 WT4 O ATOM 49595 H1 TIP3 4078 3.902 -3.448 9.797 1.00 0.00 WT4 H ATOM 49596 H2 TIP3 4078 0.173 -4.188 2.838 1.00 0.00 WT4 H ATOM 49597 OH2 TIP3 4083 -3.615 -2.341 -0.825 1.00 0.00 WT4 O ATOM 49598 H1 TIP3 4083 -9.542 -9.669 11.222 1.00 0.00 WT4 H ATOM 49599 H2 TIP3 4083 3.922 19.625 -12.906 1.00 0.00 WT4 H ATOM 49600 OH2 TIP3 4093 -2.491 4.289 -3.962 1.00 0.00 WT4 O ATOM 49601 H1 TIP3 4093 12.947 13.939 -6.578 1.00 0.00 WT4 H ATOM 49602 H2 TIP3 4093 -8.366 5.794 -0.067 1.00 0.00 WT4 H ATOM 49603 OH2 TIP3 4097 -4.549 -1.280 -6.291 1.00 0.00 WT4 O ATOM 49604 H1 TIP3 4097 -9.653 -2.905 -14.752 1.00 0.00 WT4 H ATOM 49605 H2 TIP3 4097 -2.432 -3.561 -2.019 1.00 0.00 WT4 H ATOM 49606 OH2 TIP3 4098 -0.918 1.993 2.364 1.00 0.00 WT4 O ATOM 49607 H1 TIP3 4098 -4.782 -25.044 2.881 1.00 0.00 WT4 H ATOM 49608 H2 TIP3 4098 8.075 2.259 -8.007 1.00 0.00 WT4 H ATOM 49609 OH2 TIP3 4099 2.032 -1.530 3.594 1.00 0.00 WT4 O ATOM 49610 H1 TIP3 4099 18.015 8.774 -4.534 1.00 0.00 WT4 H ATOM 49611 H2 TIP3 4099 -13.165 -4.895 -14.519 1.00 0.00 WT4 H ATOM 49612 OH2 TIP3 4101 -4.008 8.180 4.429 1.00 0.00 WT4 O ATOM 49613 H1 TIP3 4101 -11.592 8.637 9.852 1.00 0.00 WT4 H ATOM 49614 H2 TIP3 4101 -10.089 20.151 -4.476 1.00 0.00 WT4 H ATOM 49615 OH2 TIP3 4104 -5.353 0.296 -4.239 1.00 0.00 WT4 O ATOM 49616 H1 TIP3 4104 0.860 -0.720 6.476 1.00 0.00 WT4 H ATOM 49617 H2 TIP3 4104 5.782 -14.843 -3.158 1.00 0.00 WT4 H ATOM 49618 OH2 TIP3 4116 1.446 -2.763 -1.557 1.00 0.00 WT4 O ATOM 49619 H1 TIP3 4116 5.204 -4.106 0.258 1.00 0.00 WT4 H ATOM 49620 H2 TIP3 4116 2.202 5.321 2.521 1.00 0.00 WT4 H ATOM 49621 OH2 TIP3 4120 -5.199 -5.423 3.637 1.00 0.00 WT4 O ATOM 49622 H1 TIP3 4120 -2.038 -10.946 -1.435 1.00 0.00 WT4 H ATOM 49623 H2 TIP3 4120 -3.876 -0.408 4.820 1.00 0.00 WT4 H ATOM 49624 OH2 TIP3 4121 -6.082 -1.779 2.123 1.00 0.00 WT4 O ATOM 49625 H1 TIP3 4121 0.883 -11.161 -2.236 1.00 0.00 WT4 H ATOM 49626 H2 TIP3 4121 -8.261 -3.050 2.974 1.00 0.00 WT4 H ATOM 49627 OH2 TIP3 4123 -1.711 -5.535 -5.348 1.00 0.00 WT4 O ATOM 49628 H1 TIP3 4123 -4.421 -7.413 -2.039 1.00 0.00 WT4 H ATOM 49629 H2 TIP3 4123 -11.993 -12.057 4.516 1.00 0.00 WT4 H ATOM 49630 OH2 TIP3 4138 -2.379 -1.627 0.316 1.00 0.00 WT4 O ATOM 49631 H1 TIP3 4138 -6.571 -4.913 -11.054 1.00 0.00 WT4 H ATOM 49632 H2 TIP3 4138 -11.915 -6.104 -13.957 1.00 0.00 WT4 H ATOM 49633 OH2 TIP3 4139 -1.160 5.390 2.333 1.00 0.00 WT4 O ATOM 49634 H1 TIP3 4139 1.772 -0.223 -8.574 1.00 0.00 WT4 H ATOM 49635 H2 TIP3 4139 -20.135 -9.824 10.657 1.00 0.00 WT4 H ATOM 49636 OH2 TIP3 4141 1.376 -0.726 2.739 1.00 0.00 WT4 O ATOM 49637 H1 TIP3 4141 -1.200 6.136 15.918 1.00 0.00 WT4 H ATOM 49638 H2 TIP3 4141 -20.194 -9.147 6.720 1.00 0.00 WT4 H ATOM 49639 OH2 TIP3 4142 2.298 -0.920 0.080 1.00 0.00 WT4 O ATOM 49640 H1 TIP3 4142 2.269 -5.717 0.558 1.00 0.00 WT4 H ATOM 49641 H2 TIP3 4142 1.736 -12.667 -1.643 1.00 0.00 WT4 H ATOM 49642 OH2 TIP3 4143 -1.706 -1.481 -3.570 1.00 0.00 WT4 O ATOM 49643 H1 TIP3 4143 -2.720 2.456 4.119 1.00 0.00 WT4 H ATOM 49644 H2 TIP3 4143 13.654 -7.488 -12.903 1.00 0.00 WT4 H ATOM 49645 OH2 TIP3 4157 3.272 1.179 0.603 1.00 0.00 WT4 O ATOM 49646 H1 TIP3 4157 9.295 6.788 2.945 1.00 0.00 WT4 H ATOM 49647 H2 TIP3 4157 4.158 0.388 -7.516 1.00 0.00 WT4 H ATOM 49648 OH2 TIP3 4161 0.878 0.418 0.664 1.00 0.00 WT4 O ATOM 49649 H1 TIP3 4161 -5.833 -5.874 -3.937 1.00 0.00 WT4 H ATOM 49650 H2 TIP3 4161 21.310 14.937 10.233 1.00 0.00 WT4 H ATOM 49651 OH2 TIP3 4165 3.659 -1.031 -3.931 1.00 0.00 WT4 O ATOM 49652 H1 TIP3 4165 2.485 0.638 -4.487 1.00 0.00 WT4 H ATOM 49653 H2 TIP3 4165 10.860 -3.319 -3.420 1.00 0.00 WT4 H ATOM 49654 OH2 TIP3 4179 -5.142 -5.062 -0.881 1.00 0.00 WT4 O ATOM 49655 H1 TIP3 4179 -3.697 15.572 14.567 1.00 0.00 WT4 H ATOM 49656 H2 TIP3 4179 9.955 10.580 5.558 1.00 0.00 WT4 H ATOM 49657 OH2 TIP3 4184 0.541 -3.945 -3.122 1.00 0.00 WT4 O ATOM 49658 H1 TIP3 4184 2.941 -16.690 -12.364 1.00 0.00 WT4 H ATOM 49659 H2 TIP3 4184 0.993 1.862 1.261 1.00 0.00 WT4 H ATOM 49660 OH2 TIP3 4186 -5.054 2.291 -2.669 1.00 0.00 WT4 O ATOM 49661 H1 TIP3 4186 11.411 19.891 3.272 1.00 0.00 WT4 H ATOM 49662 H2 TIP3 4186 8.285 -11.337 -4.309 1.00 0.00 WT4 H ATOM 49663 OH2 TIP3 4201 2.395 -3.414 -2.238 1.00 0.00 WT4 O ATOM 49664 H1 TIP3 4201 -12.758 1.770 3.452 1.00 0.00 WT4 H ATOM 49665 H2 TIP3 4201 2.873 1.541 -29.162 1.00 0.00 WT4 H ATOM 49666 OH2 TIP3 4202 -2.472 3.013 1.695 1.00 0.00 WT4 O ATOM 49667 H1 TIP3 4202 -17.753 7.333 2.444 1.00 0.00 WT4 H ATOM 49668 H2 TIP3 4202 9.078 -2.868 0.310 1.00 0.00 WT4 H ATOM 49669 OH2 TIP3 4243 -1.371 0.613 4.564 1.00 0.00 WT4 O ATOM 49670 H1 TIP3 4243 -20.800 -16.632 17.512 1.00 0.00 WT4 H ATOM 49671 H2 TIP3 4243 13.014 16.738 -11.058 1.00 0.00 WT4 H ATOM 49672 OH2 TIP3 4356 -2.040 -6.422 -6.677 1.00 0.00 WT4 O ATOM 49673 H1 TIP3 4356 0.888 9.923 3.340 1.00 0.00 WT4 H ATOM 49674 H2 TIP3 4356 -6.291 -31.530 -4.146 1.00 0.00 WT4 H ATOM 49675 OH2 TIP3 4374 -4.914 -2.216 -0.183 1.00 0.00 WT4 O ATOM 49676 H1 TIP3 4374 -5.541 -3.158 -0.785 1.00 0.00 WT4 H ATOM 49677 H2 TIP3 4374 -3.312 -2.601 0.356 1.00 0.00 WT4 H ATOM 49678 OH2 TIP3 4394 -8.343 -4.926 -1.508 1.00 0.00 WT4 O ATOM 49679 H1 TIP3 4394 -4.873 -8.514 5.643 1.00 0.00 WT4 H ATOM 49680 H2 TIP3 4394 -21.275 -3.232 -14.858 1.00 0.00 WT4 H ATOM 49681 OH2 TIP3 4414 -0.990 -2.938 -4.475 1.00 0.00 WT4 O ATOM 49682 H1 TIP3 4414 -8.272 -23.761 20.758 1.00 0.00 WT4 H ATOM 49683 H2 TIP3 4414 19.432 22.682 19.981 1.00 0.00 WT4 H ATOM 49684 OH2 TIP3 4417 -2.461 1.795 -1.773 1.00 0.00 WT4 O ATOM 49685 H1 TIP3 4417 -18.943 -7.059 8.639 1.00 0.00 WT4 H ATOM 49686 H2 TIP3 4417 -9.905 24.884 -21.158 1.00 0.00 WT4 H ATOM 49687 OH2 TIP3 4419 6.128 -2.894 -0.518 1.00 0.00 WT4 O ATOM 49688 H1 TIP3 4419 4.183 8.463 1.543 1.00 0.00 WT4 H ATOM 49689 H2 TIP3 4419 3.699 12.609 -3.751 1.00 0.00 WT4 H ATOM 49690 OH2 TIP3 4432 3.959 8.406 -2.425 1.00 0.00 WT4 O ATOM 49691 H1 TIP3 4432 5.792 7.051 -0.243 1.00 0.00 WT4 H ATOM 49692 H2 TIP3 4432 -0.142 -16.146 26.343 1.00 0.00 WT4 H ATOM 49693 OH2 TIP3 4434 -0.690 0.121 -5.475 1.00 0.00 WT4 O ATOM 49694 H1 TIP3 4434 -2.475 21.104 -24.449 1.00 0.00 WT4 H ATOM 49695 H2 TIP3 4434 1.354 1.279 -6.663 1.00 0.00 WT4 H ATOM 49696 OH2 TIP3 4437 0.761 -4.023 -1.901 1.00 0.00 WT4 O ATOM 49697 H1 TIP3 4437 -9.707 9.785 4.580 1.00 0.00 WT4 H ATOM 49698 H2 TIP3 4437 12.363 21.849 10.115 1.00 0.00 WT4 H ATOM 49699 OH2 TIP3 4438 -4.430 -0.558 1.772 1.00 0.00 WT4 O ATOM 49700 H1 TIP3 4438 -7.706 -0.774 -8.779 1.00 0.00 WT4 H ATOM 49701 H2 TIP3 4438 -3.927 13.853 6.847 1.00 0.00 WT4 H ATOM 49702 OH2 TIP3 4453 -2.213 -5.079 -1.480 1.00 0.00 WT4 O ATOM 49703 H1 TIP3 4453 13.249 -4.562 -1.738 1.00 0.00 WT4 H ATOM 49704 H2 TIP3 4453 -6.668 -6.724 -16.551 1.00 0.00 WT4 H ATOM 49705 OH2 TIP3 4455 5.062 -4.203 -0.482 1.00 0.00 WT4 O ATOM 49706 H1 TIP3 4455 -5.040 2.262 4.119 1.00 0.00 WT4 H ATOM 49707 H2 TIP3 4455 11.056 3.776 -8.783 1.00 0.00 WT4 H ATOM 49708 OH2 TIP3 4457 2.469 -3.829 2.256 1.00 0.00 WT4 O ATOM 49709 H1 TIP3 4457 11.776 -5.138 -1.619 1.00 0.00 WT4 H ATOM 49710 H2 TIP3 4457 -4.344 -0.169 -13.714 1.00 0.00 WT4 H ATOM 49711 OH2 TIP3 4461 10.093 -4.366 -3.472 1.00 0.00 WT4 O ATOM 49712 H1 TIP3 4461 5.080 -0.676 -2.082 1.00 0.00 WT4 H ATOM 49713 H2 TIP3 4461 11.147 0.051 -8.196 1.00 0.00 WT4 H ATOM 49714 OH2 TIP3 4473 5.475 -2.867 0.208 1.00 0.00 WT4 O ATOM 49715 H1 TIP3 4473 -10.975 -0.732 12.356 1.00 0.00 WT4 H ATOM 49716 H2 TIP3 4473 24.961 -5.177 -11.253 1.00 0.00 WT4 H ATOM 49717 OH2 TIP3 4477 2.091 4.488 -6.613 1.00 0.00 WT4 O ATOM 49718 H1 TIP3 4477 1.680 4.779 -8.818 1.00 0.00 WT4 H ATOM 49719 H2 TIP3 4477 2.627 -17.729 1.155 1.00 0.00 WT4 H ATOM 49720 OH2 TIP3 4478 5.763 -0.270 4.386 1.00 0.00 WT4 O ATOM 49721 H1 TIP3 4478 0.642 0.688 -21.348 1.00 0.00 WT4 H ATOM 49722 H2 TIP3 4478 7.339 -5.938 2.178 1.00 0.00 WT4 H ATOM 49723 OH2 TIP3 4479 -0.564 -0.545 -0.280 1.00 0.00 WT4 O ATOM 49724 H1 TIP3 4479 -4.862 11.635 9.434 1.00 0.00 WT4 H ATOM 49725 H2 TIP3 4479 -14.781 -8.702 -2.256 1.00 0.00 WT4 H ATOM 49726 OH2 TIP3 4480 5.275 8.940 -7.260 1.00 0.00 WT4 O ATOM 49727 H1 TIP3 4480 -10.681 -17.413 10.233 1.00 0.00 WT4 H ATOM 49728 H2 TIP3 4480 -42.300 13.945 5.768 1.00 0.00 WT4 H ATOM 49729 OH2 TIP3 4496 -1.067 -3.197 1.660 1.00 0.00 WT4 O ATOM 49730 H1 TIP3 4496 -22.332 0.959 7.835 1.00 0.00 WT4 H ATOM 49731 H2 TIP3 4496 1.519 -5.831 13.715 1.00 0.00 WT4 H ATOM 49732 OH2 TIP3 4499 0.286 7.119 3.324 1.00 0.00 WT4 O ATOM 49733 H1 TIP3 4499 3.578 0.039 19.196 1.00 0.00 WT4 H ATOM 49734 H2 TIP3 4499 -13.239 -7.783 -2.686 1.00 0.00 WT4 H ATOM 49735 OH2 TIP3 4500 0.956 -2.774 -1.222 1.00 0.00 WT4 O ATOM 49736 H1 TIP3 4500 -21.262 -11.030 10.380 1.00 0.00 WT4 H ATOM 49737 H2 TIP3 4500 0.028 -0.916 -11.403 1.00 0.00 WT4 H ATOM 49738 OH2 TIP3 4501 6.080 -3.344 4.217 1.00 0.00 WT4 O ATOM 49739 H1 TIP3 4501 -8.253 3.405 0.301 1.00 0.00 WT4 H ATOM 49740 H2 TIP3 4501 22.144 -5.829 -10.191 1.00 0.00 WT4 H ATOM 49741 OH2 TIP3 4513 -0.017 4.552 0.266 1.00 0.00 WT4 O ATOM 49742 H1 TIP3 4513 14.880 -3.928 -8.651 1.00 0.00 WT4 H ATOM 49743 H2 TIP3 4513 -8.432 8.210 5.529 1.00 0.00 WT4 H ATOM 49744 OH2 TIP3 4515 -2.340 -4.384 -7.029 1.00 0.00 WT4 O ATOM 49745 H1 TIP3 4515 22.331 -9.395 2.586 1.00 0.00 WT4 H ATOM 49746 H2 TIP3 4515 -9.546 3.814 -2.820 1.00 0.00 WT4 H ATOM 49747 OH2 TIP3 4516 -5.069 -2.581 0.219 1.00 0.00 WT4 O ATOM 49748 H1 TIP3 4516 -2.065 -5.035 7.830 1.00 0.00 WT4 H ATOM 49749 H2 TIP3 4516 -11.434 1.830 -15.549 1.00 0.00 WT4 H ATOM 49750 OH2 TIP3 4517 5.009 6.772 0.216 1.00 0.00 WT4 O ATOM 49751 H1 TIP3 4517 -7.071 -16.643 17.308 1.00 0.00 WT4 H ATOM 49752 H2 TIP3 4517 -17.899 20.875 -7.823 1.00 0.00 WT4 H ATOM 49753 OH2 TIP3 4518 -3.216 6.500 4.054 1.00 0.00 WT4 O ATOM 49754 H1 TIP3 4518 -7.626 8.968 11.440 1.00 0.00 WT4 H ATOM 49755 H2 TIP3 4518 3.714 21.280 8.595 1.00 0.00 WT4 H ATOM 49756 OH2 TIP3 4519 -6.022 4.116 -5.566 1.00 0.00 WT4 O ATOM 49757 H1 TIP3 4519 -9.420 2.214 4.917 1.00 0.00 WT4 H ATOM 49758 H2 TIP3 4519 -0.532 -6.764 -9.968 1.00 0.00 WT4 H ATOM 49759 OH2 TIP3 4523 1.735 -4.985 3.365 1.00 0.00 WT4 O ATOM 49760 H1 TIP3 4523 8.924 -8.153 -13.729 1.00 0.00 WT4 H ATOM 49761 H2 TIP3 4523 0.953 -13.806 11.206 1.00 0.00 WT4 H ATOM 49762 OH2 TIP3 4524 -0.793 -0.717 3.491 1.00 0.00 WT4 O ATOM 49763 H1 TIP3 4524 5.098 -10.412 9.764 1.00 0.00 WT4 H ATOM 49764 H2 TIP3 4524 -4.133 6.311 8.824 1.00 0.00 WT4 H ATOM 49765 OH2 TIP3 4536 -2.338 -2.289 1.442 1.00 0.00 WT4 O ATOM 49766 H1 TIP3 4536 -8.918 3.529 -4.727 1.00 0.00 WT4 H ATOM 49767 H2 TIP3 4536 -39.062 9.575 -17.879 1.00 0.00 WT4 H ATOM 49768 OH2 TIP3 4537 1.169 -2.417 -0.705 1.00 0.00 WT4 O ATOM 49769 H1 TIP3 4537 4.482 -15.332 12.188 1.00 0.00 WT4 H ATOM 49770 H2 TIP3 4537 0.973 -9.418 -15.396 1.00 0.00 WT4 H ATOM 49771 OH2 TIP3 4538 2.666 2.783 1.509 1.00 0.00 WT4 O ATOM 49772 H1 TIP3 4538 1.542 -3.002 -8.768 1.00 0.00 WT4 H ATOM 49773 H2 TIP3 4538 8.094 -5.431 7.897 1.00 0.00 WT4 H ATOM 49774 OH2 TIP3 4542 -8.516 -7.335 0.990 1.00 0.00 WT4 O ATOM 49775 H1 TIP3 4542 -13.147 -20.615 -3.448 1.00 0.00 WT4 H ATOM 49776 H2 TIP3 4542 -18.282 3.380 -8.939 1.00 0.00 WT4 H ATOM 49777 OH2 TIP3 4544 3.066 5.128 5.406 1.00 0.00 WT4 O ATOM 49778 H1 TIP3 4544 3.955 12.769 7.536 1.00 0.00 WT4 H ATOM 49779 H2 TIP3 4544 5.975 4.536 4.507 1.00 0.00 WT4 H ATOM 49780 OH2 TIP3 4553 0.955 2.959 -6.954 1.00 0.00 WT4 O ATOM 49781 H1 TIP3 4553 6.362 9.480 -23.271 1.00 0.00 WT4 H ATOM 49782 H2 TIP3 4553 17.527 -8.856 2.568 1.00 0.00 WT4 H ATOM 49783 OH2 TIP3 4558 -6.617 -2.416 -2.779 1.00 0.00 WT4 O ATOM 49784 H1 TIP3 4558 13.290 8.686 -28.381 1.00 0.00 WT4 H ATOM 49785 H2 TIP3 4558 1.500 -16.462 16.607 1.00 0.00 WT4 H ATOM 49786 OH2 TIP3 4559 5.020 1.893 -4.481 1.00 0.00 WT4 O ATOM 49787 H1 TIP3 4559 -5.662 4.094 -11.494 1.00 0.00 WT4 H ATOM 49788 H2 TIP3 4559 -0.686 -10.814 -12.126 1.00 0.00 WT4 H ATOM 49789 OH2 TIP3 4560 0.521 -4.812 3.849 1.00 0.00 WT4 O ATOM 49790 H1 TIP3 4560 -6.195 -22.329 -10.462 1.00 0.00 WT4 H ATOM 49791 H2 TIP3 4560 -19.978 -20.188 2.839 1.00 0.00 WT4 H ATOM 49792 OH2 TIP3 4561 -0.042 -9.672 3.193 1.00 0.00 WT4 O ATOM 49793 H1 TIP3 4561 14.985 -3.691 -8.220 1.00 0.00 WT4 H ATOM 49794 H2 TIP3 4561 -12.205 -2.698 -9.951 1.00 0.00 WT4 H ATOM 49795 OH2 TIP3 4562 5.127 1.529 5.814 1.00 0.00 WT4 O ATOM 49796 H1 TIP3 4562 28.508 -20.786 -14.675 1.00 0.00 WT4 H ATOM 49797 H2 TIP3 4562 -19.196 -6.337 -12.443 1.00 0.00 WT4 H ATOM 49798 OH2 TIP3 4569 3.544 5.920 -7.140 1.00 0.00 WT4 O ATOM 49799 H1 TIP3 4569 -0.913 2.571 -1.360 1.00 0.00 WT4 H ATOM 49800 H2 TIP3 4569 11.991 9.314 -6.054 1.00 0.00 WT4 H ATOM 49801 OH2 TIP3 4578 3.594 -0.272 1.830 1.00 0.00 WT4 O ATOM 49802 H1 TIP3 4578 15.173 -3.012 -3.509 1.00 0.00 WT4 H ATOM 49803 H2 TIP3 4578 13.729 -2.574 -4.317 1.00 0.00 WT4 H ATOM 49804 OH2 TIP3 4581 6.662 -1.937 1.416 1.00 0.00 WT4 O ATOM 49805 H1 TIP3 4581 14.907 1.856 10.117 1.00 0.00 WT4 H ATOM 49806 H2 TIP3 4581 4.361 7.800 -2.866 1.00 0.00 WT4 H ATOM 49807 OH2 TIP3 4582 -1.011 12.743 3.268 1.00 0.00 WT4 O ATOM 49808 H1 TIP3 4582 34.778 -9.136 -30.868 1.00 0.00 WT4 H ATOM 49809 H2 TIP3 4582 6.677 -1.562 -22.403 1.00 0.00 WT4 H ATOM 49810 OH2 TIP3 4586 -1.620 -0.537 -1.781 1.00 0.00 WT4 O ATOM 49811 H1 TIP3 4586 17.915 -12.665 2.693 1.00 0.00 WT4 H ATOM 49812 H2 TIP3 4586 5.980 -20.728 -12.649 1.00 0.00 WT4 H ATOM 49813 OH2 TIP3 4599 -0.602 3.890 2.100 1.00 0.00 WT4 O ATOM 49814 H1 TIP3 4599 -3.111 17.069 5.160 1.00 0.00 WT4 H ATOM 49815 H2 TIP3 4599 5.277 3.072 10.893 1.00 0.00 WT4 H ATOM 49816 OH2 TIP3 4600 2.622 6.307 -0.443 1.00 0.00 WT4 O ATOM 49817 H1 TIP3 4600 17.176 13.801 16.299 1.00 0.00 WT4 H ATOM 49818 H2 TIP3 4600 4.317 10.440 3.379 1.00 0.00 WT4 H ATOM 49819 OH2 TIP3 4624 -0.576 -1.084 0.015 1.00 0.00 WT4 O ATOM 49820 H1 TIP3 4624 -5.472 -5.271 -8.569 1.00 0.00 WT4 H ATOM 49821 H2 TIP3 4624 6.409 4.072 10.554 1.00 0.00 WT4 H ATOM 49822 OH2 TIP3 4625 5.355 -1.239 -6.585 1.00 0.00 WT4 O ATOM 49823 H1 TIP3 4625 14.117 -1.704 -1.876 1.00 0.00 WT4 H ATOM 49824 H2 TIP3 4625 -0.229 -8.053 -11.679 1.00 0.00 WT4 H ATOM 49825 OH2 TIP3 4628 1.725 6.257 -2.496 1.00 0.00 WT4 O ATOM 49826 H1 TIP3 4628 3.331 8.642 -7.690 1.00 0.00 WT4 H ATOM 49827 H2 TIP3 4628 9.656 15.196 -17.104 1.00 0.00 WT4 H ATOM 49828 OH2 TIP3 4644 6.184 -2.629 -4.806 1.00 0.00 WT4 O ATOM 49829 H1 TIP3 4644 25.911 -24.150 -10.287 1.00 0.00 WT4 H ATOM 49830 H2 TIP3 4644 11.318 -4.886 -1.294 1.00 0.00 WT4 H ATOM 49831 OH2 TIP3 4663 2.066 3.714 -8.048 1.00 0.00 WT4 O ATOM 49832 H1 TIP3 4663 -1.490 19.670 19.648 1.00 0.00 WT4 H ATOM 49833 H2 TIP3 4663 0.981 5.618 9.793 1.00 0.00 WT4 H ATOM 49834 OH2 TIP3 4725 -2.372 -3.613 -9.599 1.00 0.00 WT4 O ATOM 49835 H1 TIP3 4725 -24.441 9.844 6.880 1.00 0.00 WT4 H ATOM 49836 H2 TIP3 4725 -8.142 -27.841 -0.266 1.00 0.00 WT4 H ATOM 49837 OH2 TIP3 4808 5.245 1.697 1.650 1.00 0.00 WT4 O ATOM 49838 H1 TIP3 4808 -2.798 20.778 2.458 1.00 0.00 WT4 H ATOM 49839 H2 TIP3 4808 3.187 18.752 9.178 1.00 0.00 WT4 H ATOM 49840 OH2 TIP3 4834 -0.042 2.433 -3.860 1.00 0.00 WT4 O ATOM 49841 H1 TIP3 4834 11.672 -0.805 -14.164 1.00 0.00 WT4 H ATOM 49842 H2 TIP3 4834 16.844 -11.290 -15.095 1.00 0.00 WT4 H ATOM 49843 OH2 TIP3 4836 -0.509 0.003 1.386 1.00 0.00 WT4 O ATOM 49844 H1 TIP3 4836 -4.731 14.224 10.765 1.00 0.00 WT4 H ATOM 49845 H2 TIP3 4836 -17.242 1.204 9.635 1.00 0.00 WT4 H ATOM 49846 OH2 TIP3 4849 6.183 -5.962 2.045 1.00 0.00 WT4 O ATOM 49847 H1 TIP3 4849 11.689 -5.318 12.169 1.00 0.00 WT4 H ATOM 49848 H2 TIP3 4849 11.808 -18.227 -26.568 1.00 0.00 WT4 H ATOM 49849 OH2 TIP3 4851 1.498 -1.208 5.040 1.00 0.00 WT4 O ATOM 49850 H1 TIP3 4851 1.090 6.050 -1.555 1.00 0.00 WT4 H ATOM 49851 H2 TIP3 4851 -7.517 -3.418 10.214 1.00 0.00 WT4 H ATOM 49852 OH2 TIP3 4855 0.007 -0.355 2.856 1.00 0.00 WT4 O ATOM 49853 H1 TIP3 4855 -11.430 -3.039 31.864 1.00 0.00 WT4 H ATOM 49854 H2 TIP3 4855 6.009 1.004 -11.778 1.00 0.00 WT4 H ATOM 49855 OH2 TIP3 4857 -0.576 -2.616 1.988 1.00 0.00 WT4 O ATOM 49856 H1 TIP3 4857 7.270 -2.042 -1.243 1.00 0.00 WT4 H ATOM 49857 H2 TIP3 4857 1.791 3.928 5.320 1.00 0.00 WT4 H ATOM 49858 OH2 TIP3 4863 6.769 -5.437 -3.293 1.00 0.00 WT4 O ATOM 49859 H1 TIP3 4863 0.931 -6.449 7.042 1.00 0.00 WT4 H ATOM 49860 H2 TIP3 4863 -1.253 -8.372 -11.688 1.00 0.00 WT4 H ATOM 49861 OH2 TIP3 4872 -0.506 -2.469 -3.812 1.00 0.00 WT4 O ATOM 49862 H1 TIP3 4872 -6.024 11.419 4.706 1.00 0.00 WT4 H ATOM 49863 H2 TIP3 4872 -2.296 -5.509 6.411 1.00 0.00 WT4 H ATOM 49864 OH2 TIP3 4875 -0.596 -1.919 -2.173 1.00 0.00 WT4 O ATOM 49865 H1 TIP3 4875 7.928 -2.612 -12.971 1.00 0.00 WT4 H ATOM 49866 H2 TIP3 4875 20.017 8.673 -9.023 1.00 0.00 WT4 H ATOM 49867 OH2 TIP3 4877 0.495 -2.638 2.476 1.00 0.00 WT4 O ATOM 49868 H1 TIP3 4877 -2.005 10.969 -7.175 1.00 0.00 WT4 H ATOM 49869 H2 TIP3 4877 4.651 27.112 -12.874 1.00 0.00 WT4 H ATOM 49870 OH2 TIP3 4893 -2.460 -2.436 -0.519 1.00 0.00 WT4 O ATOM 49871 H1 TIP3 4893 -7.421 17.127 -24.528 1.00 0.00 WT4 H ATOM 49872 H2 TIP3 4893 -4.373 7.956 -13.964 1.00 0.00 WT4 H ATOM 49873 OH2 TIP3 4896 5.458 -0.539 1.592 1.00 0.00 WT4 O ATOM 49874 H1 TIP3 4896 -4.927 25.695 3.252 1.00 0.00 WT4 H ATOM 49875 H2 TIP3 4896 18.116 -13.295 10.284 1.00 0.00 WT4 H ATOM 49876 OH2 TIP3 4897 6.967 -1.451 -2.639 1.00 0.00 WT4 O ATOM 49877 H1 TIP3 4897 3.884 -7.601 -3.622 1.00 0.00 WT4 H ATOM 49878 H2 TIP3 4897 -9.920 6.502 -11.392 1.00 0.00 WT4 H ATOM 49879 OH2 TIP3 4898 2.036 4.059 0.414 1.00 0.00 WT4 O ATOM 49880 H1 TIP3 4898 -25.176 -3.018 11.367 1.00 0.00 WT4 H ATOM 49881 H2 TIP3 4898 -11.455 20.250 -17.451 1.00 0.00 WT4 H ATOM 49882 OH2 TIP3 4899 -0.575 0.016 -2.854 1.00 0.00 WT4 O ATOM 49883 H1 TIP3 4899 -10.422 -3.676 13.066 1.00 0.00 WT4 H ATOM 49884 H2 TIP3 4899 0.018 -25.328 18.644 1.00 0.00 WT4 H ATOM 49885 OH2 TIP3 4914 -1.325 6.073 -2.004 1.00 0.00 WT4 O ATOM 49886 H1 TIP3 4914 -4.435 4.789 -4.162 1.00 0.00 WT4 H ATOM 49887 H2 TIP3 4914 0.334 2.441 -6.814 1.00 0.00 WT4 H ATOM 49888 OH2 TIP3 4915 -1.188 2.351 -1.134 1.00 0.00 WT4 O ATOM 49889 H1 TIP3 4915 15.356 2.083 -1.001 1.00 0.00 WT4 H ATOM 49890 H2 TIP3 4915 15.102 -23.072 -13.652 1.00 0.00 WT4 H ATOM 49891 OH2 TIP3 4916 -5.685 3.817 2.495 1.00 0.00 WT4 O ATOM 49892 H1 TIP3 4916 -3.628 1.008 -18.131 1.00 0.00 WT4 H ATOM 49893 H2 TIP3 4916 -6.615 0.660 -11.270 1.00 0.00 WT4 H ATOM 49894 OH2 TIP3 4919 5.240 1.724 1.202 1.00 0.00 WT4 O ATOM 49895 H1 TIP3 4919 17.899 -1.878 -15.495 1.00 0.00 WT4 H ATOM 49896 H2 TIP3 4919 10.621 6.982 -8.510 1.00 0.00 WT4 H ATOM 49897 OH2 TIP3 4922 0.722 -0.602 4.308 1.00 0.00 WT4 O ATOM 49898 H1 TIP3 4922 -0.221 -13.254 0.386 1.00 0.00 WT4 H ATOM 49899 H2 TIP3 4922 -16.522 7.883 -2.929 1.00 0.00 WT4 H ATOM 49900 OH2 TIP3 4924 -0.588 -0.536 -1.853 1.00 0.00 WT4 O ATOM 49901 H1 TIP3 4924 -4.621 -25.539 -15.796 1.00 0.00 WT4 H ATOM 49902 H2 TIP3 4924 0.798 9.581 -11.605 1.00 0.00 WT4 H ATOM 49903 OH2 TIP3 4934 -0.893 -2.504 0.911 1.00 0.00 WT4 O ATOM 49904 H1 TIP3 4934 -6.632 17.435 1.348 1.00 0.00 WT4 H ATOM 49905 H2 TIP3 4934 1.727 -9.359 8.330 1.00 0.00 WT4 H ATOM 49906 OH2 TIP3 4935 0.465 2.391 2.241 1.00 0.00 WT4 O ATOM 49907 H1 TIP3 4935 5.430 13.373 14.032 1.00 0.00 WT4 H ATOM 49908 H2 TIP3 4935 -8.371 3.185 -0.980 1.00 0.00 WT4 H ATOM 49909 OH2 TIP3 4936 0.156 1.622 -3.338 1.00 0.00 WT4 O ATOM 49910 H1 TIP3 4936 4.484 -11.453 -2.955 1.00 0.00 WT4 H ATOM 49911 H2 TIP3 4936 -11.884 -13.882 28.482 1.00 0.00 WT4 H ATOM 49912 OH2 TIP3 4939 4.619 -1.053 -0.665 1.00 0.00 WT4 O ATOM 49913 H1 TIP3 4939 13.473 -5.326 2.783 1.00 0.00 WT4 H ATOM 49914 H2 TIP3 4939 -0.543 8.142 20.635 1.00 0.00 WT4 H ATOM 49915 OH2 TIP3 4942 2.108 -3.407 2.760 1.00 0.00 WT4 O ATOM 49916 H1 TIP3 4942 -17.363 6.986 16.877 1.00 0.00 WT4 H ATOM 49917 H2 TIP3 4942 -3.315 -21.001 9.133 1.00 0.00 WT4 H ATOM 49918 OH2 TIP3 4956 -8.315 -3.519 -1.717 1.00 0.00 WT4 O ATOM 49919 H1 TIP3 4956 -24.411 17.530 -20.231 1.00 0.00 WT4 H ATOM 49920 H2 TIP3 4956 -0.352 -10.971 1.207 1.00 0.00 WT4 H ATOM 49921 OH2 TIP3 4957 -6.148 -2.533 -9.598 1.00 0.00 WT4 O ATOM 49922 H1 TIP3 4957 -16.052 -24.822 13.152 1.00 0.00 WT4 H ATOM 49923 H2 TIP3 4957 -13.201 6.344 -23.041 1.00 0.00 WT4 H ATOM 49924 OH2 TIP3 4962 0.060 3.978 -1.128 1.00 0.00 WT4 O ATOM 49925 H1 TIP3 4962 -12.383 3.808 -8.263 1.00 0.00 WT4 H ATOM 49926 H2 TIP3 4962 0.683 -10.410 -9.812 1.00 0.00 WT4 H ATOM 49927 OH2 TIP3 4963 -0.439 4.752 5.759 1.00 0.00 WT4 O ATOM 49928 H1 TIP3 4963 2.914 -13.149 3.994 1.00 0.00 WT4 H ATOM 49929 H2 TIP3 4963 5.103 -11.278 5.645 1.00 0.00 WT4 H ATOM 49930 OH2 TIP3 4965 -1.366 -1.939 -4.496 1.00 0.00 WT4 O ATOM 49931 H1 TIP3 4965 -3.438 -5.924 -2.894 1.00 0.00 WT4 H ATOM 49932 H2 TIP3 4965 -4.741 -5.232 -7.024 1.00 0.00 WT4 H ATOM 49933 OH2 TIP3 4978 -0.811 0.451 -3.626 1.00 0.00 WT4 O ATOM 49934 H1 TIP3 4978 -6.032 1.669 8.469 1.00 0.00 WT4 H ATOM 49935 H2 TIP3 4978 7.371 -0.932 -10.966 1.00 0.00 WT4 H ATOM 49936 OH2 TIP3 4980 1.829 1.626 -4.294 1.00 0.00 WT4 O ATOM 49937 H1 TIP3 4980 18.104 1.823 1.240 1.00 0.00 WT4 H ATOM 49938 H2 TIP3 4980 -6.202 -3.602 6.738 1.00 0.00 WT4 H ATOM 49939 OH2 TIP3 4981 -7.146 1.286 -6.023 1.00 0.00 WT4 O ATOM 49940 H1 TIP3 4981 -3.182 1.362 0.834 1.00 0.00 WT4 H ATOM 49941 H2 TIP3 4981 -6.264 9.343 -8.155 1.00 0.00 WT4 H ATOM 49942 OH2 TIP3 4982 2.020 -4.580 -2.563 1.00 0.00 WT4 O ATOM 49943 H1 TIP3 4982 -1.287 10.439 18.816 1.00 0.00 WT4 H ATOM 49944 H2 TIP3 4982 1.832 5.426 14.924 1.00 0.00 WT4 H ATOM 49945 OH2 TIP3 4983 -0.165 -1.647 -4.403 1.00 0.00 WT4 O ATOM 49946 H1 TIP3 4983 4.619 0.992 -3.883 1.00 0.00 WT4 H ATOM 49947 H2 TIP3 4983 -2.161 10.088 -6.413 1.00 0.00 WT4 H ATOM 49948 OH2 TIP3 4985 -2.377 0.282 4.421 1.00 0.00 WT4 O ATOM 49949 H1 TIP3 4985 -11.358 2.825 2.192 1.00 0.00 WT4 H ATOM 49950 H2 TIP3 4985 6.177 -8.306 -7.196 1.00 0.00 WT4 H ATOM 49951 OH2 TIP3 4996 -3.399 -3.570 2.775 1.00 0.00 WT4 O ATOM 49952 H1 TIP3 4996 3.662 -4.195 9.112 1.00 0.00 WT4 H ATOM 49953 H2 TIP3 4996 -1.071 -10.398 -3.011 1.00 0.00 WT4 H ATOM 49954 OH2 TIP3 4998 1.102 -2.755 -1.954 1.00 0.00 WT4 O ATOM 49955 H1 TIP3 4998 -8.647 -0.591 -2.216 1.00 0.00 WT4 H ATOM 49956 H2 TIP3 4998 3.984 -3.548 16.267 1.00 0.00 WT4 H ATOM 49957 OH2 TIP3 4999 8.789 4.283 5.087 1.00 0.00 WT4 O ATOM 49958 H1 TIP3 4999 21.941 3.986 31.154 1.00 0.00 WT4 H ATOM 49959 H2 TIP3 4999 5.991 12.910 -19.178 1.00 0.00 WT4 H ATOM 49960 OH2 TIP3 5000 3.019 -6.994 2.685 1.00 0.00 WT4 O ATOM 49961 H1 TIP3 5000 9.871 -9.391 27.989 1.00 0.00 WT4 H ATOM 49962 H2 TIP3 5000 22.503 -1.618 -8.742 1.00 0.00 WT4 H ATOM 49963 OH2 TIP3 5001 -1.300 3.383 2.728 1.00 0.00 WT4 O ATOM 49964 H1 TIP3 5001 7.004 -6.446 -3.136 1.00 0.00 WT4 H ATOM 49965 H2 TIP3 5001 6.296 12.937 10.954 1.00 0.00 WT4 H ATOM 49966 OH2 TIP3 5002 -2.023 -2.842 -0.862 1.00 0.00 WT4 O ATOM 49967 H1 TIP3 5002 -4.246 21.746 17.580 1.00 0.00 WT4 H ATOM 49968 H2 TIP3 5002 7.894 -7.148 1.402 1.00 0.00 WT4 H ATOM 49969 OH2 TIP3 5004 -7.218 6.272 2.822 1.00 0.00 WT4 O ATOM 49970 H1 TIP3 5004 -13.592 -3.600 3.400 1.00 0.00 WT4 H ATOM 49971 H2 TIP3 5004 -0.977 40.316 -2.522 1.00 0.00 WT4 H ATOM 49972 OH2 TIP3 5005 2.692 5.925 0.445 1.00 0.00 WT4 O ATOM 49973 H1 TIP3 5005 7.118 -5.776 -8.559 1.00 0.00 WT4 H ATOM 49974 H2 TIP3 5005 -1.683 -0.311 15.197 1.00 0.00 WT4 H ATOM 49975 OH2 TIP3 5019 -2.802 -1.326 -2.681 1.00 0.00 WT4 O ATOM 49976 H1 TIP3 5019 -29.118 -9.297 15.953 1.00 0.00 WT4 H ATOM 49977 H2 TIP3 5019 -1.056 -8.732 -14.579 1.00 0.00 WT4 H ATOM 49978 OH2 TIP3 5021 1.520 0.726 -3.451 1.00 0.00 WT4 O ATOM 49979 H1 TIP3 5021 0.913 -9.416 -13.739 1.00 0.00 WT4 H ATOM 49980 H2 TIP3 5021 2.600 9.785 6.805 1.00 0.00 WT4 H ATOM 49981 OH2 TIP3 5023 -4.346 1.179 -4.275 1.00 0.00 WT4 O ATOM 49982 H1 TIP3 5023 -13.026 7.524 18.010 1.00 0.00 WT4 H ATOM 49983 H2 TIP3 5023 -4.236 -1.289 -5.253 1.00 0.00 WT4 H ATOM 49984 OH2 TIP3 5025 2.150 -1.660 -1.132 1.00 0.00 WT4 O ATOM 49985 H1 TIP3 5025 8.780 0.186 1.614 1.00 0.00 WT4 H ATOM 49986 H2 TIP3 5025 -0.464 0.512 -10.147 1.00 0.00 WT4 H ATOM 49987 OH2 TIP3 5043 0.184 3.704 -2.904 1.00 0.00 WT4 O ATOM 49988 H1 TIP3 5043 -7.847 2.278 -6.743 1.00 0.00 WT4 H ATOM 49989 H2 TIP3 5043 12.578 1.724 0.905 1.00 0.00 WT4 H ATOM 49990 OH2 TIP3 5044 1.751 2.043 6.312 1.00 0.00 WT4 O ATOM 49991 H1 TIP3 5044 14.329 -3.057 13.631 1.00 0.00 WT4 H ATOM 49992 H2 TIP3 5044 19.176 7.981 -8.692 1.00 0.00 WT4 H ATOM 49993 OH2 TIP3 5049 -3.381 -4.018 0.796 1.00 0.00 WT4 O ATOM 49994 H1 TIP3 5049 -7.677 -4.300 -16.157 1.00 0.00 WT4 H ATOM 49995 H2 TIP3 5049 -10.789 7.031 9.047 1.00 0.00 WT4 H ATOM 49996 OH2 TIP3 5060 -1.840 -5.263 3.049 1.00 0.00 WT4 O ATOM 49997 H1 TIP3 5060 -0.381 3.938 -23.066 1.00 0.00 WT4 H ATOM 49998 H2 TIP3 5060 4.995 11.341 -14.859 1.00 0.00 WT4 H ATOM 49999 OH2 TIP3 5061 5.273 3.787 -1.693 1.00 0.00 WT4 O ATOM 50000 H1 TIP3 5061 12.294 2.035 -4.187 1.00 0.00 WT4 H ATOM 50001 H2 TIP3 5061 6.961 3.738 6.091 1.00 0.00 WT4 H ATOM 50002 OH2 TIP3 5063 -1.676 -3.303 0.920 1.00 0.00 WT4 O ATOM 50003 H1 TIP3 5063 7.027 9.421 -1.960 1.00 0.00 WT4 H ATOM 50004 H2 TIP3 5063 -5.525 5.784 -16.508 1.00 0.00 WT4 H ATOM 50005 OH2 TIP3 5085 3.975 0.381 4.467 1.00 0.00 WT4 O ATOM 50006 H1 TIP3 5085 -8.425 10.452 -6.793 1.00 0.00 WT4 H ATOM 50007 H2 TIP3 5085 6.577 7.147 12.573 1.00 0.00 WT4 H ATOM 50008 OH2 TIP3 5088 4.169 -4.931 -3.737 1.00 0.00 WT4 O ATOM 50009 H1 TIP3 5088 1.956 -4.528 0.973 1.00 0.00 WT4 H ATOM 50010 H2 TIP3 5088 4.394 -9.225 -5.474 1.00 0.00 WT4 H ATOM 50011 OH2 TIP3 5133 2.455 1.423 2.384 1.00 0.00 WT4 O ATOM 50012 H1 TIP3 5133 -9.008 -38.011 -5.242 1.00 0.00 WT4 H ATOM 50013 H2 TIP3 5133 3.893 12.965 -0.371 1.00 0.00 WT4 H ATOM 50014 OH2 TIP3 5134 0.739 -3.949 3.898 1.00 0.00 WT4 O ATOM 50015 H1 TIP3 5134 -17.326 -8.663 18.990 1.00 0.00 WT4 H ATOM 50016 H2 TIP3 5134 -4.647 -21.799 -7.926 1.00 0.00 WT4 H ATOM 50017 OH2 TIP3 5164 4.083 -0.358 -1.608 1.00 0.00 WT4 O ATOM 50018 H1 TIP3 5164 -5.415 10.142 -13.323 1.00 0.00 WT4 H ATOM 50019 H2 TIP3 5164 -1.999 18.560 -0.607 1.00 0.00 WT4 H ATOM 50020 OH2 TIP3 5166 -2.569 3.985 8.014 1.00 0.00 WT4 O ATOM 50021 H1 TIP3 5166 -3.785 4.517 6.856 1.00 0.00 WT4 H ATOM 50022 H2 TIP3 5166 -6.034 1.976 18.471 1.00 0.00 WT4 H ATOM 50023 OH2 TIP3 5193 3.245 -1.236 -5.602 1.00 0.00 WT4 O ATOM 50024 H1 TIP3 5193 -4.635 -7.678 -11.267 1.00 0.00 WT4 H ATOM 50025 H2 TIP3 5193 2.458 -0.480 -5.856 1.00 0.00 WT4 H ATOM 50026 OH2 TIP3 5234 5.287 -0.888 -2.229 1.00 0.00 WT4 O ATOM 50027 H1 TIP3 5234 9.323 -4.830 -15.255 1.00 0.00 WT4 H ATOM 50028 H2 TIP3 5234 5.246 -7.027 2.539 1.00 0.00 WT4 H ATOM 50029 OH2 TIP3 5251 0.135 -1.917 2.291 1.00 0.00 WT4 O ATOM 50030 H1 TIP3 5251 7.259 -4.481 6.154 1.00 0.00 WT4 H ATOM 50031 H2 TIP3 5251 4.544 -4.733 15.281 1.00 0.00 WT4 H ATOM 50032 OH2 TIP3 5259 0.616 5.301 -2.082 1.00 0.00 WT4 O ATOM 50033 H1 TIP3 5259 -10.659 5.500 5.712 1.00 0.00 WT4 H ATOM 50034 H2 TIP3 5259 -17.417 -12.079 -3.926 1.00 0.00 WT4 H ATOM 50035 OH2 TIP3 5260 -0.758 -3.176 -5.927 1.00 0.00 WT4 O ATOM 50036 H1 TIP3 5260 -0.210 8.855 7.631 1.00 0.00 WT4 H ATOM 50037 H2 TIP3 5260 -4.783 -3.842 -8.502 1.00 0.00 WT4 H ATOM 50038 OH2 TIP3 5271 2.969 2.072 0.730 1.00 0.00 WT4 O ATOM 50039 H1 TIP3 5271 2.081 2.395 3.645 1.00 0.00 WT4 H ATOM 50040 H2 TIP3 5271 10.148 6.377 0.223 1.00 0.00 WT4 H ATOM 50041 OH2 TIP3 5272 5.737 6.502 4.557 1.00 0.00 WT4 O ATOM 50042 H1 TIP3 5272 5.116 3.827 9.774 1.00 0.00 WT4 H ATOM 50043 H2 TIP3 5272 -0.779 2.730 16.789 1.00 0.00 WT4 H ATOM 50044 OH2 TIP3 5296 -7.069 6.406 0.057 1.00 0.00 WT4 O ATOM 50045 H1 TIP3 5296 -10.101 4.494 14.627 1.00 0.00 WT4 H ATOM 50046 H2 TIP3 5296 17.815 -18.502 -6.902 1.00 0.00 WT4 H ATOM 50047 OH2 TIP3 5304 1.622 1.720 -0.988 1.00 0.00 WT4 O ATOM 50048 H1 TIP3 5304 6.790 4.417 -3.960 1.00 0.00 WT4 H ATOM 50049 H2 TIP3 5304 -1.403 9.450 0.318 1.00 0.00 WT4 H ATOM 50050 OH2 TIP3 5317 -0.686 1.754 -2.504 1.00 0.00 WT4 O ATOM 50051 H1 TIP3 5317 1.641 -3.169 5.598 1.00 0.00 WT4 H ATOM 50052 H2 TIP3 5317 1.368 -4.333 -0.148 1.00 0.00 WT4 H ATOM 50053 OH2 TIP3 5318 -0.065 1.136 4.470 1.00 0.00 WT4 O ATOM 50054 H1 TIP3 5318 2.387 6.456 -12.344 1.00 0.00 WT4 H ATOM 50055 H2 TIP3 5318 -4.842 -14.196 4.370 1.00 0.00 WT4 H ATOM 50056 OH2 TIP3 5319 3.677 2.890 1.805 1.00 0.00 WT4 O ATOM 50057 H1 TIP3 5319 -18.997 0.367 -9.637 1.00 0.00 WT4 H ATOM 50058 H2 TIP3 5319 19.777 -5.156 9.778 1.00 0.00 WT4 H ATOM 50059 OH2 TIP3 5320 -9.133 4.720 -6.867 1.00 0.00 WT4 O ATOM 50060 H1 TIP3 5320 14.456 3.493 -11.686 1.00 0.00 WT4 H ATOM 50061 H2 TIP3 5320 -14.479 -8.324 28.640 1.00 0.00 WT4 H ATOM 50062 OH2 TIP3 5332 1.049 2.630 3.367 1.00 0.00 WT4 O ATOM 50063 H1 TIP3 5332 16.651 12.293 14.094 1.00 0.00 WT4 H ATOM 50064 H2 TIP3 5332 2.316 14.857 2.048 1.00 0.00 WT4 H ATOM 50065 OH2 TIP3 5341 -1.520 -6.956 -4.354 1.00 0.00 WT4 O ATOM 50066 H1 TIP3 5341 0.242 -11.578 -7.096 1.00 0.00 WT4 H ATOM 50067 H2 TIP3 5341 1.254 15.328 -21.078 1.00 0.00 WT4 H ATOM 50068 OH2 TIP3 5357 -4.500 0.253 -5.328 1.00 0.00 WT4 O ATOM 50069 H1 TIP3 5357 -13.426 -2.233 0.161 1.00 0.00 WT4 H ATOM 50070 H2 TIP3 5357 -15.494 9.610 1.153 1.00 0.00 WT4 H ATOM 50071 OH2 TIP3 5358 0.314 2.744 0.654 1.00 0.00 WT4 O ATOM 50072 H1 TIP3 5358 -0.946 0.327 -20.059 1.00 0.00 WT4 H ATOM 50073 H2 TIP3 5358 0.039 -11.688 7.620 1.00 0.00 WT4 H ATOM 50074 OH2 TIP3 5359 -0.367 1.019 1.785 1.00 0.00 WT4 O ATOM 50075 H1 TIP3 5359 2.437 -7.217 13.918 1.00 0.00 WT4 H ATOM 50076 H2 TIP3 5359 -9.328 -3.065 6.012 1.00 0.00 WT4 H ATOM 50077 OH2 TIP3 5360 5.566 2.942 -2.246 1.00 0.00 WT4 O ATOM 50078 H1 TIP3 5360 19.292 1.028 -6.373 1.00 0.00 WT4 H ATOM 50079 H2 TIP3 5360 13.327 12.352 -4.342 1.00 0.00 WT4 H ATOM 50080 OH2 TIP3 5363 -1.359 7.013 0.785 1.00 0.00 WT4 O ATOM 50081 H1 TIP3 5363 -1.280 18.321 25.910 1.00 0.00 WT4 H ATOM 50082 H2 TIP3 5363 -11.898 -16.614 4.146 1.00 0.00 WT4 H ATOM 50083 OH2 TIP3 5364 1.796 0.224 4.555 1.00 0.00 WT4 O ATOM 50084 H1 TIP3 5364 -4.433 8.514 3.116 1.00 0.00 WT4 H ATOM 50085 H2 TIP3 5364 -2.306 -3.725 5.395 1.00 0.00 WT4 H ATOM 50086 OH2 TIP3 5375 -1.324 5.114 -1.147 1.00 0.00 WT4 O ATOM 50087 H1 TIP3 5375 -1.450 -9.240 -15.849 1.00 0.00 WT4 H ATOM 50088 H2 TIP3 5375 -6.202 -9.008 -24.679 1.00 0.00 WT4 H ATOM 50089 OH2 TIP3 5377 -4.513 4.090 3.610 1.00 0.00 WT4 O ATOM 50090 H1 TIP3 5377 -6.690 12.813 8.709 1.00 0.00 WT4 H ATOM 50091 H2 TIP3 5377 -0.813 -13.624 -7.239 1.00 0.00 WT4 H ATOM 50092 OH2 TIP3 5378 -1.217 1.195 2.795 1.00 0.00 WT4 O ATOM 50093 H1 TIP3 5378 -1.850 -1.012 7.750 1.00 0.00 WT4 H ATOM 50094 H2 TIP3 5378 3.139 4.220 -13.794 1.00 0.00 WT4 H ATOM 50095 OH2 TIP3 5379 -2.518 -1.576 0.859 1.00 0.00 WT4 O ATOM 50096 H1 TIP3 5379 1.572 7.578 17.345 1.00 0.00 WT4 H ATOM 50097 H2 TIP3 5379 -15.334 -9.710 -6.085 1.00 0.00 WT4 H ATOM 50098 OH2 TIP3 5380 8.034 -6.589 -8.738 1.00 0.00 WT4 O ATOM 50099 H1 TIP3 5380 17.875 -13.472 -6.607 1.00 0.00 WT4 H ATOM 50100 H2 TIP3 5380 16.353 22.657 -11.708 1.00 0.00 WT4 H ATOM 50101 OH2 TIP3 5381 1.166 3.548 -0.802 1.00 0.00 WT4 O ATOM 50102 H1 TIP3 5381 3.747 0.376 -0.044 1.00 0.00 WT4 H ATOM 50103 H2 TIP3 5381 -1.226 11.737 -1.027 1.00 0.00 WT4 H ATOM 50104 OH2 TIP3 5382 7.395 4.555 4.230 1.00 0.00 WT4 O ATOM 50105 H1 TIP3 5382 30.432 7.856 0.842 1.00 0.00 WT4 H ATOM 50106 H2 TIP3 5382 22.743 2.925 3.997 1.00 0.00 WT4 H ATOM 50107 OH2 TIP3 5383 -1.944 2.801 4.741 1.00 0.00 WT4 O ATOM 50108 H1 TIP3 5383 -7.360 0.822 1.848 1.00 0.00 WT4 H ATOM 50109 H2 TIP3 5383 -9.360 1.753 -22.908 1.00 0.00 WT4 H ATOM 50110 OH2 TIP3 5384 2.863 0.536 0.495 1.00 0.00 WT4 O ATOM 50111 H1 TIP3 5384 0.710 -6.258 -18.400 1.00 0.00 WT4 H ATOM 50112 H2 TIP3 5384 2.771 0.194 1.817 1.00 0.00 WT4 H ATOM 50113 OH2 TIP3 5385 -4.757 3.638 -4.851 1.00 0.00 WT4 O ATOM 50114 H1 TIP3 5385 -6.761 -23.669 8.421 1.00 0.00 WT4 H ATOM 50115 H2 TIP3 5385 0.047 -7.992 -12.606 1.00 0.00 WT4 H ATOM 50116 OH2 TIP3 5393 0.822 0.873 -1.434 1.00 0.00 WT4 O ATOM 50117 H1 TIP3 5393 -10.151 -3.100 -19.321 1.00 0.00 WT4 H ATOM 50118 H2 TIP3 5393 21.743 -10.824 14.944 1.00 0.00 WT4 H ATOM 50119 OH2 TIP3 5396 1.020 5.572 4.812 1.00 0.00 WT4 O ATOM 50120 H1 TIP3 5396 8.891 8.860 -13.162 1.00 0.00 WT4 H ATOM 50121 H2 TIP3 5396 0.917 4.235 11.655 1.00 0.00 WT4 H ATOM 50122 OH2 TIP3 5399 -8.190 -0.384 5.282 1.00 0.00 WT4 O ATOM 50123 H1 TIP3 5399 -8.088 4.130 4.915 1.00 0.00 WT4 H ATOM 50124 H2 TIP3 5399 -5.289 1.143 4.434 1.00 0.00 WT4 H ATOM 50125 OH2 TIP3 5400 -4.753 -0.966 0.675 1.00 0.00 WT4 O ATOM 50126 H1 TIP3 5400 -0.985 -19.179 -5.989 1.00 0.00 WT4 H ATOM 50127 H2 TIP3 5400 -13.371 -2.436 6.494 1.00 0.00 WT4 H ATOM 50128 OH2 TIP3 5402 -0.715 -4.834 -0.481 1.00 0.00 WT4 O ATOM 50129 H1 TIP3 5402 -4.947 -3.568 -1.440 1.00 0.00 WT4 H ATOM 50130 H2 TIP3 5402 -1.347 -2.238 3.503 1.00 0.00 WT4 H ATOM 50131 OH2 TIP3 5404 4.619 3.825 3.240 1.00 0.00 WT4 O ATOM 50132 H1 TIP3 5404 12.223 -1.230 -50.040 1.00 0.00 WT4 H ATOM 50133 H2 TIP3 5404 -4.702 -8.696 3.843 1.00 0.00 WT4 H ATOM 50134 OH2 TIP3 5418 -2.181 -0.951 -1.840 1.00 0.00 WT4 O ATOM 50135 H1 TIP3 5418 14.622 0.433 6.564 1.00 0.00 WT4 H ATOM 50136 H2 TIP3 5418 -15.339 7.177 -6.779 1.00 0.00 WT4 H ATOM 50137 OH2 TIP3 5419 -4.112 -3.006 1.271 1.00 0.00 WT4 O ATOM 50138 H1 TIP3 5419 5.243 -17.469 -11.011 1.00 0.00 WT4 H ATOM 50139 H2 TIP3 5419 1.150 -11.690 -9.744 1.00 0.00 WT4 H ATOM 50140 OH2 TIP3 5420 4.121 -0.271 4.458 1.00 0.00 WT4 O ATOM 50141 H1 TIP3 5420 12.202 -10.016 -20.354 1.00 0.00 WT4 H ATOM 50142 H2 TIP3 5420 5.717 14.181 27.156 1.00 0.00 WT4 H ATOM 50143 OH2 TIP3 5421 -3.677 -2.196 -0.730 1.00 0.00 WT4 O ATOM 50144 H1 TIP3 5421 11.393 7.760 -8.575 1.00 0.00 WT4 H ATOM 50145 H2 TIP3 5421 -12.513 14.347 10.160 1.00 0.00 WT4 H ATOM 50146 OH2 TIP3 5422 -2.143 -3.759 1.593 1.00 0.00 WT4 O ATOM 50147 H1 TIP3 5422 -20.649 -7.896 8.860 1.00 0.00 WT4 H ATOM 50148 H2 TIP3 5422 5.458 -9.245 4.273 1.00 0.00 WT4 H ATOM 50149 OH2 TIP3 5426 -0.121 -0.514 2.468 1.00 0.00 WT4 O ATOM 50150 H1 TIP3 5426 2.761 6.184 0.951 1.00 0.00 WT4 H ATOM 50151 H2 TIP3 5426 1.664 -3.517 2.312 1.00 0.00 WT4 H ATOM 50152 OH2 TIP3 5430 0.705 -3.267 3.557 1.00 0.00 WT4 O ATOM 50153 H1 TIP3 5430 12.851 2.822 18.960 1.00 0.00 WT4 H ATOM 50154 H2 TIP3 5430 -13.078 -9.323 -27.543 1.00 0.00 WT4 H ATOM 50155 OH2 TIP3 5434 -1.976 -0.824 -3.797 1.00 0.00 WT4 O ATOM 50156 H1 TIP3 5434 -20.181 25.118 -1.209 1.00 0.00 WT4 H ATOM 50157 H2 TIP3 5434 -6.068 3.552 0.197 1.00 0.00 WT4 H ATOM 50158 OH2 TIP3 5440 7.277 -2.893 2.210 1.00 0.00 WT4 O ATOM 50159 H1 TIP3 5440 13.492 -3.807 2.808 1.00 0.00 WT4 H ATOM 50160 H2 TIP3 5440 4.326 -5.338 5.304 1.00 0.00 WT4 H ATOM 50161 OH2 TIP3 5442 -2.673 -1.190 1.461 1.00 0.00 WT4 O ATOM 50162 H1 TIP3 5442 0.579 0.099 -3.036 1.00 0.00 WT4 H ATOM 50163 H2 TIP3 5442 -0.912 3.582 -4.471 1.00 0.00 WT4 H ATOM 50164 OH2 TIP3 5443 -1.357 0.819 8.467 1.00 0.00 WT4 O ATOM 50165 H1 TIP3 5443 5.522 1.581 -3.058 1.00 0.00 WT4 H ATOM 50166 H2 TIP3 5443 7.533 -7.416 18.064 1.00 0.00 WT4 H ATOM 50167 OH2 TIP3 5444 0.370 4.560 0.288 1.00 0.00 WT4 O ATOM 50168 H1 TIP3 5444 -7.524 -7.202 -5.241 1.00 0.00 WT4 H ATOM 50169 H2 TIP3 5444 3.762 0.603 -0.626 1.00 0.00 WT4 H ATOM 50170 OH2 TIP3 5446 6.013 6.136 1.324 1.00 0.00 WT4 O ATOM 50171 H1 TIP3 5446 6.956 15.752 3.282 1.00 0.00 WT4 H ATOM 50172 H2 TIP3 5446 -2.271 1.941 17.702 1.00 0.00 WT4 H ATOM 50173 OH2 TIP3 5460 -2.550 -2.408 -4.500 1.00 0.00 WT4 O ATOM 50174 H1 TIP3 5460 -12.156 -9.789 23.478 1.00 0.00 WT4 H ATOM 50175 H2 TIP3 5460 -12.359 -11.625 -2.572 1.00 0.00 WT4 H ATOM 50176 OH2 TIP3 5461 0.914 -0.919 -0.284 1.00 0.00 WT4 O ATOM 50177 H1 TIP3 5461 -21.558 4.840 11.261 1.00 0.00 WT4 H ATOM 50178 H2 TIP3 5461 -14.429 -0.552 5.482 1.00 0.00 WT4 H ATOM 50179 OH2 TIP3 5462 3.704 -3.878 -2.509 1.00 0.00 WT4 O ATOM 50180 H1 TIP3 5462 6.567 -0.555 -8.909 1.00 0.00 WT4 H ATOM 50181 H2 TIP3 5462 -1.588 -11.423 11.072 1.00 0.00 WT4 H ATOM 50182 OH2 TIP3 5463 4.654 -0.934 0.321 1.00 0.00 WT4 O ATOM 50183 H1 TIP3 5463 -9.420 -19.477 -0.140 1.00 0.00 WT4 H ATOM 50184 H2 TIP3 5463 -5.552 -10.176 -2.066 1.00 0.00 WT4 H ATOM 50185 OH2 TIP3 5464 3.646 0.754 0.564 1.00 0.00 WT4 O ATOM 50186 H1 TIP3 5464 -6.242 5.931 -2.146 1.00 0.00 WT4 H ATOM 50187 H2 TIP3 5464 7.822 7.042 -16.409 1.00 0.00 WT4 H ATOM 50188 OH2 TIP3 5466 2.788 -5.348 1.224 1.00 0.00 WT4 O ATOM 50189 H1 TIP3 5466 8.275 -15.431 22.777 1.00 0.00 WT4 H ATOM 50190 H2 TIP3 5466 -8.895 10.543 -2.021 1.00 0.00 WT4 H ATOM 50191 OH2 TIP3 5481 -5.440 -4.466 6.077 1.00 0.00 WT4 O ATOM 50192 H1 TIP3 5481 -3.204 -3.110 8.185 1.00 0.00 WT4 H ATOM 50193 H2 TIP3 5481 16.889 16.256 2.204 1.00 0.00 WT4 H ATOM 50194 OH2 TIP3 5482 -0.549 -5.619 -0.091 1.00 0.00 WT4 O ATOM 50195 H1 TIP3 5482 2.213 14.356 -3.138 1.00 0.00 WT4 H ATOM 50196 H2 TIP3 5482 -2.082 -23.088 -9.429 1.00 0.00 WT4 H ATOM 50197 OH2 TIP3 5484 -2.881 3.358 1.283 1.00 0.00 WT4 O ATOM 50198 H1 TIP3 5484 6.166 2.059 -30.200 1.00 0.00 WT4 H ATOM 50199 H2 TIP3 5484 -22.326 -19.698 4.133 1.00 0.00 WT4 H ATOM 50200 OH2 TIP3 5487 1.800 -7.536 -5.894 1.00 0.00 WT4 O ATOM 50201 H1 TIP3 5487 2.136 -2.046 -8.759 1.00 0.00 WT4 H ATOM 50202 H2 TIP3 5487 28.410 8.245 11.341 1.00 0.00 WT4 H ATOM 50203 OH2 TIP3 5504 3.962 -2.595 -6.306 1.00 0.00 WT4 O ATOM 50204 H1 TIP3 5504 14.621 9.637 -2.593 1.00 0.00 WT4 H ATOM 50205 H2 TIP3 5504 -6.288 -0.249 -2.570 1.00 0.00 WT4 H ATOM 50206 OH2 TIP3 5526 -3.366 4.043 0.694 1.00 0.00 WT4 O ATOM 50207 H1 TIP3 5526 -1.468 5.120 -9.044 1.00 0.00 WT4 H ATOM 50208 H2 TIP3 5526 6.924 -11.992 7.785 1.00 0.00 WT4 H ATOM 50209 OH2 TIP3 5528 2.118 3.778 10.371 1.00 0.00 WT4 O ATOM 50210 H1 TIP3 5528 10.507 0.299 -4.870 1.00 0.00 WT4 H ATOM 50211 H2 TIP3 5528 14.273 5.118 2.959 1.00 0.00 WT4 H ATOM 50212 OH2 TIP3 5553 -4.367 2.143 -1.127 1.00 0.00 WT4 O ATOM 50213 H1 TIP3 5553 -11.732 2.834 -6.034 1.00 0.00 WT4 H ATOM 50214 H2 TIP3 5553 16.424 -25.307 17.945 1.00 0.00 WT4 H ATOM 50215 OH2 TIP3 5650 -4.340 -9.956 -2.684 1.00 0.00 WT4 O ATOM 50216 H1 TIP3 5650 -1.604 -1.836 3.653 1.00 0.00 WT4 H ATOM 50217 H2 TIP3 5650 -2.816 -4.349 -5.186 1.00 0.00 WT4 H ATOM 50218 OH2 TIP3 5654 -4.349 7.522 -0.370 1.00 0.00 WT4 O ATOM 50219 H1 TIP3 5654 1.612 -1.572 -4.081 1.00 0.00 WT4 H ATOM 50220 H2 TIP3 5654 -0.566 -16.460 3.268 1.00 0.00 WT4 H ATOM 50221 OH2 TIP3 5669 5.590 -7.880 -1.084 1.00 0.00 WT4 O ATOM 50222 H1 TIP3 5669 -6.324 -5.619 0.379 1.00 0.00 WT4 H ATOM 50223 H2 TIP3 5669 -2.077 -0.099 -27.592 1.00 0.00 WT4 H ATOM 50224 OH2 TIP3 5676 -1.713 5.104 -1.618 1.00 0.00 WT4 O ATOM 50225 H1 TIP3 5676 -27.740 32.323 -17.340 1.00 0.00 WT4 H ATOM 50226 H2 TIP3 5676 3.808 1.178 1.468 1.00 0.00 WT4 H ATOM 50227 OH2 TIP3 5678 0.480 -2.125 1.642 1.00 0.00 WT4 O ATOM 50228 H1 TIP3 5678 -0.247 3.913 5.909 1.00 0.00 WT4 H ATOM 50229 H2 TIP3 5678 6.245 -18.879 -20.494 1.00 0.00 WT4 H ATOM 50230 OH2 TIP3 5679 -3.849 -1.079 -5.003 1.00 0.00 WT4 O ATOM 50231 H1 TIP3 5679 -17.905 7.333 9.609 1.00 0.00 WT4 H ATOM 50232 H2 TIP3 5679 0.468 -2.917 -10.860 1.00 0.00 WT4 H ATOM 50233 OH2 TIP3 5690 2.781 0.661 -1.384 1.00 0.00 WT4 O ATOM 50234 H1 TIP3 5690 4.106 12.943 6.349 1.00 0.00 WT4 H ATOM 50235 H2 TIP3 5690 -21.017 -0.150 4.794 1.00 0.00 WT4 H ATOM 50236 OH2 TIP3 5692 0.238 3.447 4.482 1.00 0.00 WT4 O ATOM 50237 H1 TIP3 5692 -1.359 -7.414 -8.143 1.00 0.00 WT4 H ATOM 50238 H2 TIP3 5692 5.830 9.647 30.536 1.00 0.00 WT4 H ATOM 50239 OH2 TIP3 5697 -0.541 3.498 -2.179 1.00 0.00 WT4 O ATOM 50240 H1 TIP3 5697 8.404 14.527 4.163 1.00 0.00 WT4 H ATOM 50241 H2 TIP3 5697 -10.095 -14.324 6.689 1.00 0.00 WT4 H ATOM 50242 OH2 TIP3 5710 -5.180 -5.125 0.903 1.00 0.00 WT4 O ATOM 50243 H1 TIP3 5710 10.673 -6.043 5.585 1.00 0.00 WT4 H ATOM 50244 H2 TIP3 5710 -6.734 11.466 8.072 1.00 0.00 WT4 H ATOM 50245 OH2 TIP3 5711 -2.597 -4.443 -1.399 1.00 0.00 WT4 O ATOM 50246 H1 TIP3 5711 -1.488 -2.808 11.145 1.00 0.00 WT4 H ATOM 50247 H2 TIP3 5711 -3.826 -9.136 5.668 1.00 0.00 WT4 H ATOM 50248 OH2 TIP3 5713 3.299 -1.930 -2.824 1.00 0.00 WT4 O ATOM 50249 H1 TIP3 5713 -6.465 -5.984 5.982 1.00 0.00 WT4 H ATOM 50250 H2 TIP3 5713 -11.993 19.868 -10.415 1.00 0.00 WT4 H ATOM 50251 OH2 TIP3 5714 9.063 -3.020 -1.036 1.00 0.00 WT4 O ATOM 50252 H1 TIP3 5714 6.304 -8.715 -11.337 1.00 0.00 WT4 H ATOM 50253 H2 TIP3 5714 -2.646 4.729 16.072 1.00 0.00 WT4 H ATOM 50254 OH2 TIP3 5715 -0.453 1.586 0.494 1.00 0.00 WT4 O ATOM 50255 H1 TIP3 5715 2.357 6.549 -3.551 1.00 0.00 WT4 H ATOM 50256 H2 TIP3 5715 0.729 4.053 -7.902 1.00 0.00 WT4 H ATOM 50257 OH2 TIP3 5720 7.476 6.534 -1.533 1.00 0.00 WT4 O ATOM 50258 H1 TIP3 5720 2.420 -28.632 -0.510 1.00 0.00 WT4 H ATOM 50259 H2 TIP3 5720 16.549 -14.568 4.678 1.00 0.00 WT4 H ATOM 50260 OH2 TIP3 5734 0.365 -9.307 -7.565 1.00 0.00 WT4 O ATOM 50261 H1 TIP3 5734 -11.895 17.147 -6.100 1.00 0.00 WT4 H ATOM 50262 H2 TIP3 5734 -8.744 -0.523 1.072 1.00 0.00 WT4 H ATOM 50263 OH2 TIP3 5736 -0.298 -4.403 6.510 1.00 0.00 WT4 O ATOM 50264 H1 TIP3 5736 -0.853 -4.580 6.142 1.00 0.00 WT4 H ATOM 50265 H2 TIP3 5736 2.756 6.113 21.673 1.00 0.00 WT4 H ATOM 50266 OH2 TIP3 5738 6.543 4.850 4.629 1.00 0.00 WT4 O ATOM 50267 H1 TIP3 5738 5.905 5.037 -2.612 1.00 0.00 WT4 H ATOM 50268 H2 TIP3 5738 -0.519 18.929 -24.897 1.00 0.00 WT4 H ATOM 50269 OH2 TIP3 5755 4.557 -0.161 3.162 1.00 0.00 WT4 O ATOM 50270 H1 TIP3 5755 4.256 0.271 5.808 1.00 0.00 WT4 H ATOM 50271 H2 TIP3 5755 -5.408 1.674 5.708 1.00 0.00 WT4 H ATOM 50272 OH2 TIP3 5756 1.939 2.712 -4.777 1.00 0.00 WT4 O ATOM 50273 H1 TIP3 5756 -12.074 -2.410 1.085 1.00 0.00 WT4 H ATOM 50274 H2 TIP3 5756 22.074 -14.306 3.066 1.00 0.00 WT4 H ATOM 50275 OH2 TIP3 5758 9.919 0.944 -7.853 1.00 0.00 WT4 O ATOM 50276 H1 TIP3 5758 -3.640 1.665 -3.330 1.00 0.00 WT4 H ATOM 50277 H2 TIP3 5758 13.727 0.013 9.580 1.00 0.00 WT4 H ATOM 50278 OH2 TIP3 5762 1.102 8.287 -0.413 1.00 0.00 WT4 O ATOM 50279 H1 TIP3 5762 -13.687 0.942 1.264 1.00 0.00 WT4 H ATOM 50280 H2 TIP3 5762 -4.636 -0.666 4.605 1.00 0.00 WT4 H ATOM 50281 OH2 TIP3 5764 7.100 2.340 -1.001 1.00 0.00 WT4 O ATOM 50282 H1 TIP3 5764 18.309 -32.625 -21.603 1.00 0.00 WT4 H ATOM 50283 H2 TIP3 5764 13.251 19.886 11.440 1.00 0.00 WT4 H ATOM 50284 OH2 TIP3 5767 4.793 0.785 9.140 1.00 0.00 WT4 O ATOM 50285 H1 TIP3 5767 1.834 8.567 13.232 1.00 0.00 WT4 H ATOM 50286 H2 TIP3 5767 -3.882 -5.973 12.425 1.00 0.00 WT4 H ATOM 50287 OH2 TIP3 5768 -5.906 4.230 2.100 1.00 0.00 WT4 O ATOM 50288 H1 TIP3 5768 4.897 -3.229 5.994 1.00 0.00 WT4 H ATOM 50289 H2 TIP3 5768 -4.418 5.188 -8.886 1.00 0.00 WT4 H ATOM 50290 OH2 TIP3 5777 4.843 6.624 -2.834 1.00 0.00 WT4 O ATOM 50291 H1 TIP3 5777 22.597 5.931 -1.839 1.00 0.00 WT4 H ATOM 50292 H2 TIP3 5777 -12.720 20.158 -3.493 1.00 0.00 WT4 H ATOM 50293 OH2 TIP3 5778 -3.354 -2.860 2.160 1.00 0.00 WT4 O ATOM 50294 H1 TIP3 5778 -6.372 -2.761 10.926 1.00 0.00 WT4 H ATOM 50295 H2 TIP3 5778 -6.848 -0.503 8.166 1.00 0.00 WT4 H ATOM 50296 OH2 TIP3 5779 1.397 1.128 -0.314 1.00 0.00 WT4 O ATOM 50297 H1 TIP3 5779 -5.976 7.691 23.158 1.00 0.00 WT4 H ATOM 50298 H2 TIP3 5779 -2.216 -3.221 22.533 1.00 0.00 WT4 H ATOM 50299 OH2 TIP3 5780 2.304 -2.387 -0.811 1.00 0.00 WT4 O ATOM 50300 H1 TIP3 5780 -4.780 2.734 -8.041 1.00 0.00 WT4 H ATOM 50301 H2 TIP3 5780 25.791 -17.166 0.535 1.00 0.00 WT4 H ATOM 50302 OH2 TIP3 5795 5.441 -0.764 8.560 1.00 0.00 WT4 O ATOM 50303 H1 TIP3 5795 -18.755 15.320 -13.378 1.00 0.00 WT4 H ATOM 50304 H2 TIP3 5795 15.278 -8.650 21.708 1.00 0.00 WT4 H ATOM 50305 OH2 TIP3 5797 0.977 7.343 1.196 1.00 0.00 WT4 O ATOM 50306 H1 TIP3 5797 4.219 6.213 1.860 1.00 0.00 WT4 H ATOM 50307 H2 TIP3 5797 -4.527 -8.934 -3.324 1.00 0.00 WT4 H ATOM 50308 OH2 TIP3 5798 -5.979 4.805 3.556 1.00 0.00 WT4 O ATOM 50309 H1 TIP3 5798 1.269 5.814 -1.406 1.00 0.00 WT4 H ATOM 50310 H2 TIP3 5798 12.675 -13.170 8.962 1.00 0.00 WT4 H ATOM 50311 OH2 TIP3 5799 -1.470 -8.808 1.506 1.00 0.00 WT4 O ATOM 50312 H1 TIP3 5799 -4.917 -15.763 4.333 1.00 0.00 WT4 H ATOM 50313 H2 TIP3 5799 10.740 9.844 7.262 1.00 0.00 WT4 H ATOM 50314 OH2 TIP3 5800 4.304 6.369 -1.667 1.00 0.00 WT4 O ATOM 50315 H1 TIP3 5800 -11.225 -4.317 -11.126 1.00 0.00 WT4 H ATOM 50316 H2 TIP3 5800 16.176 1.324 -17.057 1.00 0.00 WT4 H ATOM 50317 OH2 TIP3 5801 0.232 2.358 8.817 1.00 0.00 WT4 O ATOM 50318 H1 TIP3 5801 -13.533 -11.193 13.590 1.00 0.00 WT4 H ATOM 50319 H2 TIP3 5801 4.439 8.301 10.389 1.00 0.00 WT4 H ATOM 50320 OH2 TIP3 5802 5.519 -7.471 -3.560 1.00 0.00 WT4 O ATOM 50321 H1 TIP3 5802 0.751 -12.243 -20.210 1.00 0.00 WT4 H ATOM 50322 H2 TIP3 5802 -33.843 8.610 -15.443 1.00 0.00 WT4 H ATOM 50323 OH2 TIP3 5818 0.840 2.274 1.074 1.00 0.00 WT4 O ATOM 50324 H1 TIP3 5818 -4.427 -0.197 -1.933 1.00 0.00 WT4 H ATOM 50325 H2 TIP3 5818 1.375 2.232 -0.532 1.00 0.00 WT4 H ATOM 50326 OH2 TIP3 5819 0.585 1.060 -0.437 1.00 0.00 WT4 O ATOM 50327 H1 TIP3 5819 -8.301 -9.826 -10.206 1.00 0.00 WT4 H ATOM 50328 H2 TIP3 5819 -4.896 55.081 -8.289 1.00 0.00 WT4 H ATOM 50329 OH2 TIP3 5820 5.150 -1.002 -3.629 1.00 0.00 WT4 O ATOM 50330 H1 TIP3 5820 -6.437 -8.707 -1.065 1.00 0.00 WT4 H ATOM 50331 H2 TIP3 5820 -8.248 11.124 -7.110 1.00 0.00 WT4 H ATOM 50332 OH2 TIP3 5821 -3.630 -0.313 6.680 1.00 0.00 WT4 O ATOM 50333 H1 TIP3 5821 1.819 4.234 10.616 1.00 0.00 WT4 H ATOM 50334 H2 TIP3 5821 12.601 3.701 7.150 1.00 0.00 WT4 H ATOM 50335 OH2 TIP3 5823 -4.367 -3.873 -3.421 1.00 0.00 WT4 O ATOM 50336 H1 TIP3 5823 -20.236 -8.138 7.649 1.00 0.00 WT4 H ATOM 50337 H2 TIP3 5823 -5.347 33.342 10.694 1.00 0.00 WT4 H ATOM 50338 OH2 TIP3 5828 10.486 1.064 3.039 1.00 0.00 WT4 O ATOM 50339 H1 TIP3 5828 -10.683 -9.537 -10.984 1.00 0.00 WT4 H ATOM 50340 H2 TIP3 5828 -37.957 -23.555 16.540 1.00 0.00 WT4 H ATOM 50341 OH2 TIP3 5836 -7.924 4.023 -6.411 1.00 0.00 WT4 O ATOM 50342 H1 TIP3 5836 -16.385 -6.505 -5.194 1.00 0.00 WT4 H ATOM 50343 H2 TIP3 5836 13.414 19.366 -8.357 1.00 0.00 WT4 H ATOM 50344 OH2 TIP3 5837 -1.847 -3.342 -2.164 1.00 0.00 WT4 O ATOM 50345 H1 TIP3 5837 0.409 5.410 0.920 1.00 0.00 WT4 H ATOM 50346 H2 TIP3 5837 -1.242 -1.719 -1.181 1.00 0.00 WT4 H ATOM 50347 OH2 TIP3 5839 -5.148 -0.924 3.027 1.00 0.00 WT4 O ATOM 50348 H1 TIP3 5839 28.790 -33.242 1.386 1.00 0.00 WT4 H ATOM 50349 H2 TIP3 5839 13.234 -9.039 -10.253 1.00 0.00 WT4 H ATOM 50350 OH2 TIP3 5840 -2.651 1.314 0.616 1.00 0.00 WT4 O ATOM 50351 H1 TIP3 5840 12.849 -11.643 26.435 1.00 0.00 WT4 H ATOM 50352 H2 TIP3 5840 4.682 8.672 19.418 1.00 0.00 WT4 H ATOM 50353 OH2 TIP3 5841 -1.911 -2.108 -0.316 1.00 0.00 WT4 O ATOM 50354 H1 TIP3 5841 -5.040 -10.441 -17.169 1.00 0.00 WT4 H ATOM 50355 H2 TIP3 5841 0.766 -0.748 2.056 1.00 0.00 WT4 H ATOM 50356 OH2 TIP3 5843 -5.535 4.182 -0.085 1.00 0.00 WT4 O ATOM 50357 H1 TIP3 5843 -28.423 0.524 -7.217 1.00 0.00 WT4 H ATOM 50358 H2 TIP3 5843 4.342 -11.249 -7.923 1.00 0.00 WT4 H ATOM 50359 OH2 TIP3 5844 3.569 -2.983 3.499 1.00 0.00 WT4 O ATOM 50360 H1 TIP3 5844 7.329 -11.468 11.629 1.00 0.00 WT4 H ATOM 50361 H2 TIP3 5844 29.786 -19.545 27.658 1.00 0.00 WT4 H ATOM 50362 OH2 TIP3 5846 -2.941 -5.640 -8.923 1.00 0.00 WT4 O ATOM 50363 H1 TIP3 5846 -5.892 4.012 0.322 1.00 0.00 WT4 H ATOM 50364 H2 TIP3 5846 11.388 -4.482 -7.929 1.00 0.00 WT4 H ATOM 50365 OH2 TIP3 5859 5.929 -4.918 6.718 1.00 0.00 WT4 O ATOM 50366 H1 TIP3 5859 12.946 -0.787 14.442 1.00 0.00 WT4 H ATOM 50367 H2 TIP3 5859 -1.949 3.617 3.998 1.00 0.00 WT4 H ATOM 50368 OH2 TIP3 5860 0.411 1.482 3.171 1.00 0.00 WT4 O ATOM 50369 H1 TIP3 5860 3.141 6.959 6.076 1.00 0.00 WT4 H ATOM 50370 H2 TIP3 5860 -18.990 2.000 -7.022 1.00 0.00 WT4 H ATOM 50371 OH2 TIP3 5861 4.280 -0.050 -3.444 1.00 0.00 WT4 O ATOM 50372 H1 TIP3 5861 0.960 2.412 -6.200 1.00 0.00 WT4 H ATOM 50373 H2 TIP3 5861 4.683 3.060 -4.175 1.00 0.00 WT4 H ATOM 50374 OH2 TIP3 5862 -4.730 0.494 -1.000 1.00 0.00 WT4 O ATOM 50375 H1 TIP3 5862 5.998 -9.451 -4.019 1.00 0.00 WT4 H ATOM 50376 H2 TIP3 5862 0.541 -3.668 -2.039 1.00 0.00 WT4 H ATOM 50377 OH2 TIP3 5863 -1.078 -3.058 -0.543 1.00 0.00 WT4 O ATOM 50378 H1 TIP3 5863 -0.598 2.072 10.142 1.00 0.00 WT4 H ATOM 50379 H2 TIP3 5863 -1.095 1.410 -9.215 1.00 0.00 WT4 H ATOM 50380 OH2 TIP3 5865 1.307 -0.234 4.278 1.00 0.00 WT4 O ATOM 50381 H1 TIP3 5865 16.126 -19.107 -13.076 1.00 0.00 WT4 H ATOM 50382 H2 TIP3 5865 -1.106 0.966 7.701 1.00 0.00 WT4 H ATOM 50383 OH2 TIP3 5866 -1.751 0.724 -0.279 1.00 0.00 WT4 O ATOM 50384 H1 TIP3 5866 -13.349 4.667 7.686 1.00 0.00 WT4 H ATOM 50385 H2 TIP3 5866 -9.637 11.734 -0.198 1.00 0.00 WT4 H ATOM 50386 OH2 TIP3 5869 1.033 0.594 -0.573 1.00 0.00 WT4 O ATOM 50387 H1 TIP3 5869 2.887 9.926 -6.793 1.00 0.00 WT4 H ATOM 50388 H2 TIP3 5869 -3.621 -23.336 7.847 1.00 0.00 WT4 H ATOM 50389 OH2 TIP3 5881 0.831 -3.273 1.092 1.00 0.00 WT4 O ATOM 50390 H1 TIP3 5881 -2.354 -13.462 8.667 1.00 0.00 WT4 H ATOM 50391 H2 TIP3 5881 1.693 3.070 -5.705 1.00 0.00 WT4 H ATOM 50392 OH2 TIP3 5883 -0.593 -0.620 2.380 1.00 0.00 WT4 O ATOM 50393 H1 TIP3 5883 -1.858 -1.032 4.880 1.00 0.00 WT4 H ATOM 50394 H2 TIP3 5883 23.358 -7.206 -6.271 1.00 0.00 WT4 H ATOM 50395 OH2 TIP3 5884 5.730 -7.984 -1.689 1.00 0.00 WT4 O ATOM 50396 H1 TIP3 5884 -20.021 3.064 2.293 1.00 0.00 WT4 H ATOM 50397 H2 TIP3 5884 20.476 -23.207 -29.494 1.00 0.00 WT4 H ATOM 50398 OH2 TIP3 5886 -3.568 1.199 -2.793 1.00 0.00 WT4 O ATOM 50399 H1 TIP3 5886 -2.049 -2.406 -10.641 1.00 0.00 WT4 H ATOM 50400 H2 TIP3 5886 4.459 14.464 6.563 1.00 0.00 WT4 H ATOM 50401 OH2 TIP3 5887 -7.424 1.326 1.891 1.00 0.00 WT4 O ATOM 50402 H1 TIP3 5887 1.082 -13.646 6.645 1.00 0.00 WT4 H ATOM 50403 H2 TIP3 5887 -7.289 1.827 0.747 1.00 0.00 WT4 H ATOM 50404 OH2 TIP3 5889 0.150 3.730 -3.869 1.00 0.00 WT4 O ATOM 50405 H1 TIP3 5889 -4.023 2.200 21.041 1.00 0.00 WT4 H ATOM 50406 H2 TIP3 5889 7.558 18.727 7.376 1.00 0.00 WT4 H ATOM 50407 OH2 TIP3 5899 1.108 -4.001 1.161 1.00 0.00 WT4 O ATOM 50408 H1 TIP3 5899 -12.127 14.298 0.735 1.00 0.00 WT4 H ATOM 50409 H2 TIP3 5899 7.859 2.447 -8.269 1.00 0.00 WT4 H ATOM 50410 OH2 TIP3 5901 -3.102 -0.099 4.097 1.00 0.00 WT4 O ATOM 50411 H1 TIP3 5901 -4.434 6.227 7.357 1.00 0.00 WT4 H ATOM 50412 H2 TIP3 5901 -5.422 4.777 5.132 1.00 0.00 WT4 H ATOM 50413 OH2 TIP3 5903 -4.911 0.350 -0.510 1.00 0.00 WT4 O ATOM 50414 H1 TIP3 5903 -4.098 -5.256 -14.097 1.00 0.00 WT4 H ATOM 50415 H2 TIP3 5903 -24.832 17.141 -12.000 1.00 0.00 WT4 H ATOM 50416 OH2 TIP3 5905 -2.063 -1.652 2.186 1.00 0.00 WT4 O ATOM 50417 H1 TIP3 5905 16.347 -12.455 21.308 1.00 0.00 WT4 H ATOM 50418 H2 TIP3 5905 -5.058 29.807 -3.725 1.00 0.00 WT4 H ATOM 50419 OH2 TIP3 5906 -1.518 0.381 -1.044 1.00 0.00 WT4 O ATOM 50420 H1 TIP3 5906 0.694 -23.278 9.820 1.00 0.00 WT4 H ATOM 50421 H2 TIP3 5906 -24.330 8.663 15.223 1.00 0.00 WT4 H ATOM 50422 OH2 TIP3 5909 1.884 -0.746 1.602 1.00 0.00 WT4 O ATOM 50423 H1 TIP3 5909 7.440 8.196 16.417 1.00 0.00 WT4 H ATOM 50424 H2 TIP3 5909 -12.058 5.690 -10.809 1.00 0.00 WT4 H ATOM 50425 OH2 TIP3 5911 6.094 -6.856 0.804 1.00 0.00 WT4 O ATOM 50426 H1 TIP3 5911 7.464 -0.795 17.446 1.00 0.00 WT4 H ATOM 50427 H2 TIP3 5911 1.134 9.465 12.122 1.00 0.00 WT4 H ATOM 50428 OH2 TIP3 5920 2.645 -5.518 2.106 1.00 0.00 WT4 O ATOM 50429 H1 TIP3 5920 -3.669 -5.002 9.461 1.00 0.00 WT4 H ATOM 50430 H2 TIP3 5920 -5.410 -0.295 0.723 1.00 0.00 WT4 H ATOM 50431 OH2 TIP3 5926 -2.248 -2.490 1.840 1.00 0.00 WT4 O ATOM 50432 H1 TIP3 5926 -11.559 13.957 5.085 1.00 0.00 WT4 H ATOM 50433 H2 TIP3 5926 14.596 -11.571 -15.802 1.00 0.00 WT4 H ATOM 50434 OH2 TIP3 5945 0.109 6.490 1.381 1.00 0.00 WT4 O ATOM 50435 H1 TIP3 5945 11.025 -0.996 3.790 1.00 0.00 WT4 H ATOM 50436 H2 TIP3 5945 6.285 2.143 -3.359 1.00 0.00 WT4 H ATOM 50437 OH2 TIP3 5947 3.479 -0.963 -2.128 1.00 0.00 WT4 O ATOM 50438 H1 TIP3 5947 -3.328 4.180 5.870 1.00 0.00 WT4 H ATOM 50439 H2 TIP3 5947 9.794 -8.608 11.892 1.00 0.00 WT4 H ATOM 50440 OH2 TIP3 5948 2.920 -5.312 6.072 1.00 0.00 WT4 O ATOM 50441 H1 TIP3 5948 -20.155 9.679 -5.241 1.00 0.00 WT4 H ATOM 50442 H2 TIP3 5948 -17.636 -10.537 14.561 1.00 0.00 WT4 H ATOM 50443 OH2 TIP3 5949 3.009 3.127 0.748 1.00 0.00 WT4 O ATOM 50444 H1 TIP3 5949 12.040 -17.109 20.724 1.00 0.00 WT4 H ATOM 50445 H2 TIP3 5949 -9.642 -17.075 -28.440 1.00 0.00 WT4 H ATOM 50446 OH2 TIP3 5964 -2.932 1.869 0.545 1.00 0.00 WT4 O ATOM 50447 H1 TIP3 5964 19.090 10.820 23.270 1.00 0.00 WT4 H ATOM 50448 H2 TIP3 5964 -14.417 -9.991 10.111 1.00 0.00 WT4 H ATOM 50449 OH2 TIP3 5965 -2.083 -6.445 -3.282 1.00 0.00 WT4 O ATOM 50450 H1 TIP3 5965 -18.435 -0.898 -10.639 1.00 0.00 WT4 H ATOM 50451 H2 TIP3 5965 9.072 -1.288 -1.444 1.00 0.00 WT4 H ATOM 50452 OH2 TIP3 5994 4.499 -1.421 -2.938 1.00 0.00 WT4 O ATOM 50453 H1 TIP3 5994 -1.900 1.958 -2.667 1.00 0.00 WT4 H ATOM 50454 H2 TIP3 5994 -0.164 -12.714 -7.781 1.00 0.00 WT4 H ATOM 50455 OH2 TIP3 6019 1.284 -0.255 -3.478 1.00 0.00 WT4 O ATOM 50456 H1 TIP3 6019 18.639 -4.390 15.042 1.00 0.00 WT4 H ATOM 50457 H2 TIP3 6019 5.802 -16.523 14.325 1.00 0.00 WT4 H ATOM 50458 OH2 TIP3 6090 3.047 6.470 -4.613 1.00 0.00 WT4 O ATOM 50459 H1 TIP3 6090 -0.875 9.690 21.004 1.00 0.00 WT4 H ATOM 50460 H2 TIP3 6090 -23.476 14.279 -20.369 1.00 0.00 WT4 H ATOM 50461 OH2 TIP3 6091 -6.092 1.881 3.027 1.00 0.00 WT4 O ATOM 50462 H1 TIP3 6091 -20.990 -11.939 -18.968 1.00 0.00 WT4 H ATOM 50463 H2 TIP3 6091 19.587 -2.715 -3.958 1.00 0.00 WT4 H ATOM 50464 OH2 TIP3 6110 3.127 4.845 -6.974 1.00 0.00 WT4 O ATOM 50465 H1 TIP3 6110 3.069 7.241 10.923 1.00 0.00 WT4 H ATOM 50466 H2 TIP3 6110 -5.340 15.700 -25.258 1.00 0.00 WT4 H ATOM 50467 OH2 TIP3 6134 8.936 -0.503 -1.628 1.00 0.00 WT4 O ATOM 50468 H1 TIP3 6134 -19.740 -19.238 21.738 1.00 0.00 WT4 H ATOM 50469 H2 TIP3 6134 -1.006 4.169 11.574 1.00 0.00 WT4 H ATOM 50470 OH2 TIP3 6136 0.853 3.430 6.262 1.00 0.00 WT4 O ATOM 50471 H1 TIP3 6136 9.911 -8.198 -3.861 1.00 0.00 WT4 H ATOM 50472 H2 TIP3 6136 5.678 -0.349 23.644 1.00 0.00 WT4 H ATOM 50473 OH2 TIP3 6138 -1.735 2.860 -1.018 1.00 0.00 WT4 O ATOM 50474 H1 TIP3 6138 -4.742 7.836 5.528 1.00 0.00 WT4 H ATOM 50475 H2 TIP3 6138 -3.418 3.411 -17.957 1.00 0.00 WT4 H ATOM 50476 OH2 TIP3 6174 1.971 -2.102 1.868 1.00 0.00 WT4 O ATOM 50477 H1 TIP3 6174 9.288 -0.144 -4.137 1.00 0.00 WT4 H ATOM 50478 H2 TIP3 6174 9.861 -2.275 1.469 1.00 0.00 WT4 H ATOM 50479 OH2 TIP3 6176 -3.546 -5.278 0.381 1.00 0.00 WT4 O ATOM 50480 H1 TIP3 6176 -0.168 -8.845 5.736 1.00 0.00 WT4 H ATOM 50481 H2 TIP3 6176 -1.024 -2.543 4.785 1.00 0.00 WT4 H ATOM 50482 OH2 TIP3 6177 6.483 -5.357 -7.160 1.00 0.00 WT4 O ATOM 50483 H1 TIP3 6177 3.525 -13.735 0.719 1.00 0.00 WT4 H ATOM 50484 H2 TIP3 6177 -1.663 -34.928 10.103 1.00 0.00 WT4 H ATOM 50485 OH2 TIP3 6178 4.992 5.470 -4.214 1.00 0.00 WT4 O ATOM 50486 H1 TIP3 6178 -22.953 1.766 -23.082 1.00 0.00 WT4 H ATOM 50487 H2 TIP3 6178 -2.094 2.573 7.457 1.00 0.00 WT4 H ATOM 50488 OH2 TIP3 6179 1.275 -7.715 -0.058 1.00 0.00 WT4 O ATOM 50489 H1 TIP3 6179 -1.196 -19.124 8.374 1.00 0.00 WT4 H ATOM 50490 H2 TIP3 6179 7.098 18.007 -20.780 1.00 0.00 WT4 H ATOM 50491 OH2 TIP3 6181 6.693 -2.301 -1.916 1.00 0.00 WT4 O ATOM 50492 H1 TIP3 6181 10.665 -14.659 -6.181 1.00 0.00 WT4 H ATOM 50493 H2 TIP3 6181 24.893 -0.432 6.061 1.00 0.00 WT4 H ATOM 50494 OH2 TIP3 6183 1.456 -0.082 0.861 1.00 0.00 WT4 O ATOM 50495 H1 TIP3 6183 1.426 -1.290 -0.461 1.00 0.00 WT4 H ATOM 50496 H2 TIP3 6183 7.379 -4.948 3.187 1.00 0.00 WT4 H ATOM 50497 OH2 TIP3 6195 2.504 -4.430 5.815 1.00 0.00 WT4 O ATOM 50498 H1 TIP3 6195 0.762 13.988 39.219 1.00 0.00 WT4 H ATOM 50499 H2 TIP3 6195 20.128 -7.144 9.415 1.00 0.00 WT4 H ATOM 50500 OH2 TIP3 6198 -0.856 4.088 -0.209 1.00 0.00 WT4 O ATOM 50501 H1 TIP3 6198 -20.864 -15.911 11.455 1.00 0.00 WT4 H ATOM 50502 H2 TIP3 6198 11.217 15.367 -5.424 1.00 0.00 WT4 H ATOM 50503 OH2 TIP3 6200 -1.903 -1.905 -0.915 1.00 0.00 WT4 O ATOM 50504 H1 TIP3 6200 -8.516 3.950 -0.272 1.00 0.00 WT4 H ATOM 50505 H2 TIP3 6200 -12.918 0.358 -2.167 1.00 0.00 WT4 H ATOM 50506 OH2 TIP3 6215 0.619 4.676 0.266 1.00 0.00 WT4 O ATOM 50507 H1 TIP3 6215 -0.121 4.352 1.147 1.00 0.00 WT4 H ATOM 50508 H2 TIP3 6215 4.813 6.793 -2.308 1.00 0.00 WT4 H ATOM 50509 OH2 TIP3 6216 0.006 0.318 1.701 1.00 0.00 WT4 O ATOM 50510 H1 TIP3 6216 -2.347 -6.982 -5.748 1.00 0.00 WT4 H ATOM 50511 H2 TIP3 6216 -6.100 2.550 -6.567 1.00 0.00 WT4 H ATOM 50512 OH2 TIP3 6218 -3.681 -2.288 0.676 1.00 0.00 WT4 O ATOM 50513 H1 TIP3 6218 -3.343 -1.196 0.550 1.00 0.00 WT4 H ATOM 50514 H2 TIP3 6218 -4.968 -1.970 0.889 1.00 0.00 WT4 H ATOM 50515 OH2 TIP3 6219 5.989 1.336 -0.995 1.00 0.00 WT4 O ATOM 50516 H1 TIP3 6219 -1.353 -11.618 -21.828 1.00 0.00 WT4 H ATOM 50517 H2 TIP3 6219 -16.448 8.304 -25.541 1.00 0.00 WT4 H ATOM 50518 OH2 TIP3 6220 2.468 0.851 4.633 1.00 0.00 WT4 O ATOM 50519 H1 TIP3 6220 0.494 12.129 6.558 1.00 0.00 WT4 H ATOM 50520 H2 TIP3 6220 4.966 7.154 4.783 1.00 0.00 WT4 H ATOM 50521 OH2 TIP3 6221 4.013 6.659 7.734 1.00 0.00 WT4 O ATOM 50522 H1 TIP3 6221 -7.057 8.209 14.101 1.00 0.00 WT4 H ATOM 50523 H2 TIP3 6221 18.783 11.981 8.028 1.00 0.00 WT4 H ATOM 50524 OH2 TIP3 6225 -4.037 7.444 -3.899 1.00 0.00 WT4 O ATOM 50525 H1 TIP3 6225 12.800 -19.775 6.808 1.00 0.00 WT4 H ATOM 50526 H2 TIP3 6225 0.242 11.438 -1.458 1.00 0.00 WT4 H ATOM 50527 OH2 TIP3 6238 2.597 -0.912 -4.383 1.00 0.00 WT4 O ATOM 50528 H1 TIP3 6238 2.582 16.867 -3.915 1.00 0.00 WT4 H ATOM 50529 H2 TIP3 6238 17.141 -4.708 -10.530 1.00 0.00 WT4 H ATOM 50530 OH2 TIP3 6240 -4.216 1.736 5.137 1.00 0.00 WT4 O ATOM 50531 H1 TIP3 6240 -10.217 3.286 1.044 1.00 0.00 WT4 H ATOM 50532 H2 TIP3 6240 15.449 8.656 -8.329 1.00 0.00 WT4 H ATOM 50533 OH2 TIP3 6241 -4.699 -5.891 7.276 1.00 0.00 WT4 O ATOM 50534 H1 TIP3 6241 -0.680 11.456 10.578 1.00 0.00 WT4 H ATOM 50535 H2 TIP3 6241 -11.373 -8.873 -10.219 1.00 0.00 WT4 H ATOM 50536 OH2 TIP3 6242 1.255 2.875 5.984 1.00 0.00 WT4 O ATOM 50537 H1 TIP3 6242 -2.901 7.274 -3.047 1.00 0.00 WT4 H ATOM 50538 H2 TIP3 6242 0.254 -8.757 -5.301 1.00 0.00 WT4 H ATOM 50539 OH2 TIP3 6243 0.878 0.061 1.537 1.00 0.00 WT4 O ATOM 50540 H1 TIP3 6243 -18.552 -12.738 2.477 1.00 0.00 WT4 H ATOM 50541 H2 TIP3 6243 -4.154 -5.424 1.723 1.00 0.00 WT4 H ATOM 50542 OH2 TIP3 6245 4.526 5.347 -3.496 1.00 0.00 WT4 O ATOM 50543 H1 TIP3 6245 7.660 3.307 -10.675 1.00 0.00 WT4 H ATOM 50544 H2 TIP3 6245 13.395 36.988 33.384 1.00 0.00 WT4 H ATOM 50545 OH2 TIP3 6246 -2.719 0.689 4.238 1.00 0.00 WT4 O ATOM 50546 H1 TIP3 6246 1.216 -0.462 -0.103 1.00 0.00 WT4 H ATOM 50547 H2 TIP3 6246 -2.728 -1.380 10.588 1.00 0.00 WT4 H ATOM 50548 OH2 TIP3 6258 2.647 4.510 -0.299 1.00 0.00 WT4 O ATOM 50549 H1 TIP3 6258 -14.079 10.347 7.181 1.00 0.00 WT4 H ATOM 50550 H2 TIP3 6258 11.608 -5.906 -3.685 1.00 0.00 WT4 H ATOM 50551 OH2 TIP3 6259 1.248 5.161 -4.636 1.00 0.00 WT4 O ATOM 50552 H1 TIP3 6259 3.023 0.490 3.385 1.00 0.00 WT4 H ATOM 50553 H2 TIP3 6259 12.649 -10.069 29.278 1.00 0.00 WT4 H ATOM 50554 OH2 TIP3 6261 -0.704 5.502 -3.540 1.00 0.00 WT4 O ATOM 50555 H1 TIP3 6261 -3.618 4.117 -12.289 1.00 0.00 WT4 H ATOM 50556 H2 TIP3 6261 0.119 2.510 1.811 1.00 0.00 WT4 H ATOM 50557 OH2 TIP3 6263 2.023 1.268 7.196 1.00 0.00 WT4 O ATOM 50558 H1 TIP3 6263 -5.964 -0.490 -8.064 1.00 0.00 WT4 H ATOM 50559 H2 TIP3 6263 -6.472 2.349 13.105 1.00 0.00 WT4 H ATOM 50560 OH2 TIP3 6264 0.724 8.581 3.442 1.00 0.00 WT4 O ATOM 50561 H1 TIP3 6264 -34.920 10.191 -15.402 1.00 0.00 WT4 H ATOM 50562 H2 TIP3 6264 -23.675 0.170 -5.535 1.00 0.00 WT4 H ATOM 50563 OH2 TIP3 6269 -2.144 -9.762 -2.054 1.00 0.00 WT4 O ATOM 50564 H1 TIP3 6269 -3.053 -24.443 12.872 1.00 0.00 WT4 H ATOM 50565 H2 TIP3 6269 19.659 -3.858 -2.391 1.00 0.00 WT4 H ATOM 50566 OH2 TIP3 6281 -4.009 -5.431 1.740 1.00 0.00 WT4 O ATOM 50567 H1 TIP3 6281 -4.505 -3.753 -5.465 1.00 0.00 WT4 H ATOM 50568 H2 TIP3 6281 7.796 2.907 -14.628 1.00 0.00 WT4 H ATOM 50569 OH2 TIP3 6283 -7.767 0.121 -3.034 1.00 0.00 WT4 O ATOM 50570 H1 TIP3 6283 -2.865 4.844 -1.297 1.00 0.00 WT4 H ATOM 50571 H2 TIP3 6283 -20.419 -17.770 -9.402 1.00 0.00 WT4 H ATOM 50572 OH2 TIP3 6284 -0.656 2.255 -2.651 1.00 0.00 WT4 O ATOM 50573 H1 TIP3 6284 -8.420 7.693 5.369 1.00 0.00 WT4 H ATOM 50574 H2 TIP3 6284 7.509 -3.499 -11.738 1.00 0.00 WT4 H ATOM 50575 OH2 TIP3 6285 2.526 4.122 -1.293 1.00 0.00 WT4 O ATOM 50576 H1 TIP3 6285 -1.036 -3.721 -4.253 1.00 0.00 WT4 H ATOM 50577 H2 TIP3 6285 -2.503 4.612 6.581 1.00 0.00 WT4 H ATOM 50578 OH2 TIP3 6286 -5.458 4.649 -6.199 1.00 0.00 WT4 O ATOM 50579 H1 TIP3 6286 -12.643 -2.250 16.485 1.00 0.00 WT4 H ATOM 50580 H2 TIP3 6286 0.128 4.171 17.621 1.00 0.00 WT4 H ATOM 50581 OH2 TIP3 6288 -3.066 -3.773 -6.494 1.00 0.00 WT4 O ATOM 50582 H1 TIP3 6288 12.043 0.020 -11.630 1.00 0.00 WT4 H ATOM 50583 H2 TIP3 6288 5.414 4.349 -7.203 1.00 0.00 WT4 H ATOM 50584 OH2 TIP3 6297 0.676 -1.748 -3.536 1.00 0.00 WT4 O ATOM 50585 H1 TIP3 6297 -8.405 1.880 -8.339 1.00 0.00 WT4 H ATOM 50586 H2 TIP3 6297 -8.617 -10.376 -24.575 1.00 0.00 WT4 H ATOM 50587 OH2 TIP3 6300 1.453 2.226 0.722 1.00 0.00 WT4 O ATOM 50588 H1 TIP3 6300 7.885 -1.202 -4.735 1.00 0.00 WT4 H ATOM 50589 H2 TIP3 6300 -7.146 6.225 14.970 1.00 0.00 WT4 H ATOM 50590 OH2 TIP3 6303 7.179 -1.876 3.512 1.00 0.00 WT4 O ATOM 50591 H1 TIP3 6303 -2.287 -20.422 2.494 1.00 0.00 WT4 H ATOM 50592 H2 TIP3 6303 14.009 13.727 6.053 1.00 0.00 WT4 H ATOM 50593 OH2 TIP3 6305 -2.028 1.764 -3.097 1.00 0.00 WT4 O ATOM 50594 H1 TIP3 6305 -4.912 3.157 11.853 1.00 0.00 WT4 H ATOM 50595 H2 TIP3 6305 -0.530 -0.103 -11.584 1.00 0.00 WT4 H ATOM 50596 OH2 TIP3 6309 1.675 0.092 2.661 1.00 0.00 WT4 O ATOM 50597 H1 TIP3 6309 8.270 -17.603 6.437 1.00 0.00 WT4 H ATOM 50598 H2 TIP3 6309 18.203 10.823 -14.080 1.00 0.00 WT4 H ATOM 50599 OH2 TIP3 6311 -3.228 -4.246 4.496 1.00 0.00 WT4 O ATOM 50600 H1 TIP3 6311 11.322 -23.503 -12.422 1.00 0.00 WT4 H ATOM 50601 H2 TIP3 6311 -5.580 -7.360 12.848 1.00 0.00 WT4 H ATOM 50602 OH2 TIP3 6319 7.801 5.677 9.699 1.00 0.00 WT4 O ATOM 50603 H1 TIP3 6319 -5.688 8.570 10.436 1.00 0.00 WT4 H ATOM 50604 H2 TIP3 6319 -4.371 -0.987 3.921 1.00 0.00 WT4 H ATOM 50605 OH2 TIP3 6321 -2.365 -2.052 -6.133 1.00 0.00 WT4 O ATOM 50606 H1 TIP3 6321 -0.215 1.131 -6.708 1.00 0.00 WT4 H ATOM 50607 H2 TIP3 6321 -8.248 -2.760 -3.779 1.00 0.00 WT4 H ATOM 50608 OH2 TIP3 6322 -3.250 -0.065 2.626 1.00 0.00 WT4 O ATOM 50609 H1 TIP3 6322 -2.132 6.969 14.505 1.00 0.00 WT4 H ATOM 50610 H2 TIP3 6322 5.530 15.162 4.963 1.00 0.00 WT4 H ATOM 50611 OH2 TIP3 6323 -0.856 -1.843 -1.258 1.00 0.00 WT4 O ATOM 50612 H1 TIP3 6323 6.958 -17.602 -5.387 1.00 0.00 WT4 H ATOM 50613 H2 TIP3 6323 -6.693 -10.554 -3.143 1.00 0.00 WT4 H ATOM 50614 OH2 TIP3 6325 6.807 -0.419 3.051 1.00 0.00 WT4 O ATOM 50615 H1 TIP3 6325 -0.126 9.898 -2.391 1.00 0.00 WT4 H ATOM 50616 H2 TIP3 6325 -4.672 23.277 -0.025 1.00 0.00 WT4 H ATOM 50617 OH2 TIP3 6328 -3.947 -1.689 -0.748 1.00 0.00 WT4 O ATOM 50618 H1 TIP3 6328 -5.236 0.939 3.760 1.00 0.00 WT4 H ATOM 50619 H2 TIP3 6328 -12.294 0.266 8.435 1.00 0.00 WT4 H ATOM 50620 OH2 TIP3 6329 -2.982 2.550 3.119 1.00 0.00 WT4 O ATOM 50621 H1 TIP3 6329 2.224 4.580 17.918 1.00 0.00 WT4 H ATOM 50622 H2 TIP3 6329 6.564 12.063 -2.103 1.00 0.00 WT4 H ATOM 50623 OH2 TIP3 6345 -0.423 3.547 0.102 1.00 0.00 WT4 O ATOM 50624 H1 TIP3 6345 5.180 -18.579 3.899 1.00 0.00 WT4 H ATOM 50625 H2 TIP3 6345 -22.729 27.487 9.838 1.00 0.00 WT4 H ATOM 50626 OH2 TIP3 6347 -0.632 -4.495 7.522 1.00 0.00 WT4 O ATOM 50627 H1 TIP3 6347 -17.870 -11.503 -10.456 1.00 0.00 WT4 H ATOM 50628 H2 TIP3 6347 23.903 12.568 15.098 1.00 0.00 WT4 H ATOM 50629 OH2 TIP3 6348 1.982 1.884 2.239 1.00 0.00 WT4 O ATOM 50630 H1 TIP3 6348 11.022 11.672 33.161 1.00 0.00 WT4 H ATOM 50631 H2 TIP3 6348 -23.334 8.983 -11.454 1.00 0.00 WT4 H ATOM 50632 OH2 TIP3 6353 0.618 -1.049 -6.097 1.00 0.00 WT4 O ATOM 50633 H1 TIP3 6353 8.768 7.253 -25.722 1.00 0.00 WT4 H ATOM 50634 H2 TIP3 6353 11.579 21.244 13.103 1.00 0.00 WT4 H ATOM 50635 OH2 TIP3 6357 -4.667 4.604 -8.387 1.00 0.00 WT4 O ATOM 50636 H1 TIP3 6357 -3.323 4.238 -13.998 1.00 0.00 WT4 H ATOM 50637 H2 TIP3 6357 -7.881 1.243 -5.851 1.00 0.00 WT4 H ATOM 50638 OH2 TIP3 6364 1.741 -0.324 0.563 1.00 0.00 WT4 O ATOM 50639 H1 TIP3 6364 25.792 8.323 -24.781 1.00 0.00 WT4 H ATOM 50640 H2 TIP3 6364 -14.593 -8.179 1.251 1.00 0.00 WT4 H ATOM 50641 OH2 TIP3 6366 0.404 -1.022 -0.780 1.00 0.00 WT4 O ATOM 50642 H1 TIP3 6366 8.644 2.171 -1.489 1.00 0.00 WT4 H ATOM 50643 H2 TIP3 6366 1.030 -8.388 3.841 1.00 0.00 WT4 H ATOM 50644 OH2 TIP3 6369 4.394 -1.088 3.513 1.00 0.00 WT4 O ATOM 50645 H1 TIP3 6369 14.407 2.912 0.949 1.00 0.00 WT4 H ATOM 50646 H2 TIP3 6369 30.295 22.521 -3.678 1.00 0.00 WT4 H ATOM 50647 OH2 TIP3 6381 -2.668 -4.613 0.025 1.00 0.00 WT4 O ATOM 50648 H1 TIP3 6381 -17.508 -7.859 0.632 1.00 0.00 WT4 H ATOM 50649 H2 TIP3 6381 -6.257 -0.712 3.562 1.00 0.00 WT4 H ATOM 50650 OH2 TIP3 6388 4.971 -7.963 -4.829 1.00 0.00 WT4 O ATOM 50651 H1 TIP3 6388 -14.555 12.199 11.521 1.00 0.00 WT4 H ATOM 50652 H2 TIP3 6388 6.272 -17.084 -2.491 1.00 0.00 WT4 H ATOM 50653 OH2 TIP3 6390 3.978 -0.472 -0.404 1.00 0.00 WT4 O ATOM 50654 H1 TIP3 6390 0.546 2.292 -0.114 1.00 0.00 WT4 H ATOM 50655 H2 TIP3 6390 -2.364 -5.505 -1.657 1.00 0.00 WT4 H ATOM 50656 OH2 TIP3 6403 1.242 4.037 -4.973 1.00 0.00 WT4 O ATOM 50657 H1 TIP3 6403 -18.998 52.967 19.435 1.00 0.00 WT4 H ATOM 50658 H2 TIP3 6403 -20.129 11.047 -8.650 1.00 0.00 WT4 H ATOM 50659 OH2 TIP3 6417 -3.245 1.045 -2.879 1.00 0.00 WT4 O ATOM 50660 H1 TIP3 6417 -9.247 -11.153 0.889 1.00 0.00 WT4 H ATOM 50661 H2 TIP3 6417 -2.945 -11.353 -7.439 1.00 0.00 WT4 H ATOM 50662 OH2 TIP3 6428 3.469 0.279 6.776 1.00 0.00 WT4 O ATOM 50663 H1 TIP3 6428 15.692 10.244 -2.319 1.00 0.00 WT4 H ATOM 50664 H2 TIP3 6428 -24.682 -21.583 14.908 1.00 0.00 WT4 H ATOM 50665 OH2 TIP3 6429 4.894 -2.842 1.356 1.00 0.00 WT4 O ATOM 50666 H1 TIP3 6429 10.840 0.262 29.162 1.00 0.00 WT4 H ATOM 50667 H2 TIP3 6429 -9.443 -24.860 2.968 1.00 0.00 WT4 H ATOM 50668 OH2 TIP3 6492 -1.424 -0.954 2.133 1.00 0.00 WT4 O ATOM 50669 H1 TIP3 6492 -21.881 19.340 -35.636 1.00 0.00 WT4 H ATOM 50670 H2 TIP3 6492 -2.066 10.590 10.875 1.00 0.00 WT4 H ATOM 50671 OH2 TIP3 6499 0.659 -3.639 1.170 1.00 0.00 WT4 O ATOM 50672 H1 TIP3 6499 0.462 -8.366 -0.437 1.00 0.00 WT4 H ATOM 50673 H2 TIP3 6499 -4.353 -4.646 9.291 1.00 0.00 WT4 H ATOM 50674 OH2 TIP3 6536 -0.092 5.458 1.129 1.00 0.00 WT4 O ATOM 50675 H1 TIP3 6536 -5.153 4.330 -2.858 1.00 0.00 WT4 H ATOM 50676 H2 TIP3 6536 4.013 7.177 13.294 1.00 0.00 WT4 H ATOM 50677 OH2 TIP3 6551 -4.095 1.030 3.907 1.00 0.00 WT4 O ATOM 50678 H1 TIP3 6551 2.449 -28.350 18.637 1.00 0.00 WT4 H ATOM 50679 H2 TIP3 6551 -19.281 17.993 -4.986 1.00 0.00 WT4 H ATOM 50680 OH2 TIP3 6555 0.996 1.536 -5.437 1.00 0.00 WT4 O ATOM 50681 H1 TIP3 6555 -6.379 -3.831 -9.663 1.00 0.00 WT4 H ATOM 50682 H2 TIP3 6555 -7.185 -1.168 -1.064 1.00 0.00 WT4 H ATOM 50683 OH2 TIP3 6575 -2.552 -4.976 0.845 1.00 0.00 WT4 O ATOM 50684 H1 TIP3 6575 -2.729 -11.528 -4.953 1.00 0.00 WT4 H ATOM 50685 H2 TIP3 6575 -2.178 1.670 4.749 1.00 0.00 WT4 H ATOM 50686 OH2 TIP3 6577 1.529 -6.600 -2.982 1.00 0.00 WT4 O ATOM 50687 H1 TIP3 6577 -4.275 3.444 -1.816 1.00 0.00 WT4 H ATOM 50688 H2 TIP3 6577 7.764 -26.855 -3.386 1.00 0.00 WT4 H ATOM 50689 OH2 TIP3 6579 -0.148 2.917 5.801 1.00 0.00 WT4 O ATOM 50690 H1 TIP3 6579 6.127 -3.629 1.522 1.00 0.00 WT4 H ATOM 50691 H2 TIP3 6579 -1.668 4.785 5.059 1.00 0.00 WT4 H ATOM 50692 OH2 TIP3 6595 7.807 6.770 -3.111 1.00 0.00 WT4 O ATOM 50693 H1 TIP3 6595 13.424 14.575 -3.733 1.00 0.00 WT4 H ATOM 50694 H2 TIP3 6595 6.963 7.902 8.181 1.00 0.00 WT4 H ATOM 50695 OH2 TIP3 6597 4.427 -0.705 4.580 1.00 0.00 WT4 O ATOM 50696 H1 TIP3 6597 5.645 18.006 -1.686 1.00 0.00 WT4 H ATOM 50697 H2 TIP3 6597 20.146 -19.250 17.431 1.00 0.00 WT4 H ATOM 50698 OH2 TIP3 6602 3.458 2.407 0.929 1.00 0.00 WT4 O ATOM 50699 H1 TIP3 6602 2.012 -3.426 -11.354 1.00 0.00 WT4 H ATOM 50700 H2 TIP3 6602 -8.813 3.269 6.523 1.00 0.00 WT4 H ATOM 50701 OH2 TIP3 6603 -0.954 -1.559 2.172 1.00 0.00 WT4 O ATOM 50702 H1 TIP3 6603 3.957 -5.542 23.865 1.00 0.00 WT4 H ATOM 50703 H2 TIP3 6603 6.605 -8.309 4.460 1.00 0.00 WT4 H ATOM 50704 OH2 TIP3 6615 -5.745 -5.467 3.718 1.00 0.00 WT4 O ATOM 50705 H1 TIP3 6615 -3.515 -5.510 17.177 1.00 0.00 WT4 H ATOM 50706 H2 TIP3 6615 -26.110 -7.221 2.554 1.00 0.00 WT4 H ATOM 50707 OH2 TIP3 6616 -2.564 -4.304 9.831 1.00 0.00 WT4 O ATOM 50708 H1 TIP3 6616 -7.710 -2.455 10.647 1.00 0.00 WT4 H ATOM 50709 H2 TIP3 6616 -1.122 -5.877 13.168 1.00 0.00 WT4 H ATOM 50710 OH2 TIP3 6618 -2.932 -2.124 0.899 1.00 0.00 WT4 O ATOM 50711 H1 TIP3 6618 -2.211 -1.430 1.232 1.00 0.00 WT4 H ATOM 50712 H2 TIP3 6618 -5.740 -3.783 0.294 1.00 0.00 WT4 H ATOM 50713 OH2 TIP3 6620 0.459 5.845 -3.368 1.00 0.00 WT4 O ATOM 50714 H1 TIP3 6620 10.686 2.918 7.963 1.00 0.00 WT4 H ATOM 50715 H2 TIP3 6620 2.396 7.009 6.918 1.00 0.00 WT4 H ATOM 50716 OH2 TIP3 6621 6.991 8.341 0.272 1.00 0.00 WT4 O ATOM 50717 H1 TIP3 6621 -8.960 -0.272 16.660 1.00 0.00 WT4 H ATOM 50718 H2 TIP3 6621 5.264 -4.451 -5.659 1.00 0.00 WT4 H ATOM 50719 OH2 TIP3 6623 -1.385 -2.041 -1.415 1.00 0.00 WT4 O ATOM 50720 H1 TIP3 6623 -1.057 3.075 3.310 1.00 0.00 WT4 H ATOM 50721 H2 TIP3 6623 -7.211 -0.791 0.305 1.00 0.00 WT4 H ATOM 50722 OH2 TIP3 6637 6.774 -0.689 -5.732 1.00 0.00 WT4 O ATOM 50723 H1 TIP3 6637 7.097 -3.199 -4.216 1.00 0.00 WT4 H ATOM 50724 H2 TIP3 6637 1.265 7.396 -0.405 1.00 0.00 WT4 H ATOM 50725 OH2 TIP3 6639 -3.249 4.146 -1.131 1.00 0.00 WT4 O ATOM 50726 H1 TIP3 6639 8.825 -11.980 -10.935 1.00 0.00 WT4 H ATOM 50727 H2 TIP3 6639 2.240 -1.396 -5.812 1.00 0.00 WT4 H ATOM 50728 OH2 TIP3 6640 -0.957 -0.238 1.483 1.00 0.00 WT4 O ATOM 50729 H1 TIP3 6640 13.195 30.470 5.590 1.00 0.00 WT4 H ATOM 50730 H2 TIP3 6640 0.705 -4.606 -13.628 1.00 0.00 WT4 H ATOM 50731 OH2 TIP3 6641 -4.931 -3.694 3.375 1.00 0.00 WT4 O ATOM 50732 H1 TIP3 6641 -1.326 13.909 -8.911 1.00 0.00 WT4 H ATOM 50733 H2 TIP3 6641 1.630 -14.449 6.508 1.00 0.00 WT4 H ATOM 50734 OH2 TIP3 6645 -1.888 2.154 -1.226 1.00 0.00 WT4 O ATOM 50735 H1 TIP3 6645 -13.814 -14.399 0.342 1.00 0.00 WT4 H ATOM 50736 H2 TIP3 6645 -23.673 -33.335 4.789 1.00 0.00 WT4 H ATOM 50737 OH2 TIP3 6659 1.611 -1.710 1.832 1.00 0.00 WT4 O ATOM 50738 H1 TIP3 6659 7.062 16.534 13.160 1.00 0.00 WT4 H ATOM 50739 H2 TIP3 6659 -22.928 -1.970 -5.158 1.00 0.00 WT4 H ATOM 50740 OH2 TIP3 6660 -0.909 -1.964 2.569 1.00 0.00 WT4 O ATOM 50741 H1 TIP3 6660 -12.638 5.018 -11.323 1.00 0.00 WT4 H ATOM 50742 H2 TIP3 6660 -2.017 -12.719 3.153 1.00 0.00 WT4 H ATOM 50743 OH2 TIP3 6661 1.160 3.512 -8.226 1.00 0.00 WT4 O ATOM 50744 H1 TIP3 6661 13.400 19.740 -34.514 1.00 0.00 WT4 H ATOM 50745 H2 TIP3 6661 -14.530 5.655 -2.828 1.00 0.00 WT4 H ATOM 50746 OH2 TIP3 6662 5.813 -3.731 3.536 1.00 0.00 WT4 O ATOM 50747 H1 TIP3 6662 6.632 -1.183 7.341 1.00 0.00 WT4 H ATOM 50748 H2 TIP3 6662 9.834 -9.816 1.989 1.00 0.00 WT4 H ATOM 50749 OH2 TIP3 6664 -4.003 3.707 1.004 1.00 0.00 WT4 O ATOM 50750 H1 TIP3 6664 -8.766 4.006 11.913 1.00 0.00 WT4 H ATOM 50751 H2 TIP3 6664 -1.283 4.122 -7.639 1.00 0.00 WT4 H ATOM 50752 OH2 TIP3 6671 2.002 4.858 0.008 1.00 0.00 WT4 O ATOM 50753 H1 TIP3 6671 -10.288 10.503 -22.025 1.00 0.00 WT4 H ATOM 50754 H2 TIP3 6671 9.190 -5.163 8.627 1.00 0.00 WT4 H ATOM 50755 OH2 TIP3 6679 -2.483 -6.738 1.644 1.00 0.00 WT4 O ATOM 50756 H1 TIP3 6679 -8.444 -3.786 -6.028 1.00 0.00 WT4 H ATOM 50757 H2 TIP3 6679 -13.403 -3.812 12.011 1.00 0.00 WT4 H ATOM 50758 OH2 TIP3 6681 3.147 -6.401 -6.024 1.00 0.00 WT4 O ATOM 50759 H1 TIP3 6681 -1.332 -7.341 -4.875 1.00 0.00 WT4 H ATOM 50760 H2 TIP3 6681 1.241 -5.490 -5.095 1.00 0.00 WT4 H ATOM 50761 OH2 TIP3 6684 4.757 1.484 7.049 1.00 0.00 WT4 O ATOM 50762 H1 TIP3 6684 2.838 5.692 9.473 1.00 0.00 WT4 H ATOM 50763 H2 TIP3 6684 18.514 -5.508 -9.168 1.00 0.00 WT4 H ATOM 50764 OH2 TIP3 6686 -4.788 -2.345 -0.413 1.00 0.00 WT4 O ATOM 50765 H1 TIP3 6686 -20.089 -16.179 -9.162 1.00 0.00 WT4 H ATOM 50766 H2 TIP3 6686 -19.211 -1.332 30.233 1.00 0.00 WT4 H ATOM 50767 OH2 TIP3 6698 6.881 -6.288 -0.818 1.00 0.00 WT4 O ATOM 50768 H1 TIP3 6698 18.582 -19.141 11.466 1.00 0.00 WT4 H ATOM 50769 H2 TIP3 6698 1.977 -0.639 -4.280 1.00 0.00 WT4 H ATOM 50770 OH2 TIP3 6700 1.330 -1.773 -3.600 1.00 0.00 WT4 O ATOM 50771 H1 TIP3 6700 -10.787 -14.114 6.427 1.00 0.00 WT4 H ATOM 50772 H2 TIP3 6700 -8.396 6.977 4.960 1.00 0.00 WT4 H ATOM 50773 OH2 TIP3 6701 -0.817 9.740 -1.634 1.00 0.00 WT4 O ATOM 50774 H1 TIP3 6701 -15.731 2.255 1.540 1.00 0.00 WT4 H ATOM 50775 H2 TIP3 6701 0.888 27.265 14.477 1.00 0.00 WT4 H ATOM 50776 OH2 TIP3 6703 0.206 0.763 2.111 1.00 0.00 WT4 O ATOM 50777 H1 TIP3 6703 16.555 -12.294 -25.183 1.00 0.00 WT4 H ATOM 50778 H2 TIP3 6703 -25.117 14.204 -0.921 1.00 0.00 WT4 H ATOM 50779 OH2 TIP3 6704 1.083 2.734 12.451 1.00 0.00 WT4 O ATOM 50780 H1 TIP3 6704 -0.272 13.114 5.129 1.00 0.00 WT4 H ATOM 50781 H2 TIP3 6704 3.999 13.289 20.970 1.00 0.00 WT4 H ATOM 50782 OH2 TIP3 6705 1.832 -2.374 4.729 1.00 0.00 WT4 O ATOM 50783 H1 TIP3 6705 0.294 -4.819 19.730 1.00 0.00 WT4 H ATOM 50784 H2 TIP3 6705 -9.813 -14.810 -0.250 1.00 0.00 WT4 H ATOM 50785 OH2 TIP3 6706 -2.043 2.794 -1.712 1.00 0.00 WT4 O ATOM 50786 H1 TIP3 6706 -2.542 -0.345 -1.595 1.00 0.00 WT4 H ATOM 50787 H2 TIP3 6706 -4.458 -10.031 -1.780 1.00 0.00 WT4 H ATOM 50788 OH2 TIP3 6721 0.335 -4.172 3.567 1.00 0.00 WT4 O ATOM 50789 H1 TIP3 6721 -13.843 21.867 8.840 1.00 0.00 WT4 H ATOM 50790 H2 TIP3 6721 -2.061 3.175 7.290 1.00 0.00 WT4 H ATOM 50791 OH2 TIP3 6722 -2.330 2.380 2.841 1.00 0.00 WT4 O ATOM 50792 H1 TIP3 6722 3.838 10.185 3.270 1.00 0.00 WT4 H ATOM 50793 H2 TIP3 6722 -11.456 -10.246 9.152 1.00 0.00 WT4 H ATOM 50794 OH2 TIP3 6726 2.577 -3.645 -1.186 1.00 0.00 WT4 O ATOM 50795 H1 TIP3 6726 -5.738 6.608 5.796 1.00 0.00 WT4 H ATOM 50796 H2 TIP3 6726 -10.449 -4.836 1.279 1.00 0.00 WT4 H ATOM 50797 OH2 TIP3 6727 9.448 -1.844 11.123 1.00 0.00 WT4 O ATOM 50798 H1 TIP3 6727 17.575 -1.927 2.314 1.00 0.00 WT4 H ATOM 50799 H2 TIP3 6727 11.572 -1.900 8.818 1.00 0.00 WT4 H ATOM 50800 OH2 TIP3 6730 -1.379 6.394 -6.545 1.00 0.00 WT4 O ATOM 50801 H1 TIP3 6730 17.380 19.018 -14.903 1.00 0.00 WT4 H ATOM 50802 H2 TIP3 6730 -4.028 -11.482 9.114 1.00 0.00 WT4 H ATOM 50803 OH2 TIP3 6731 4.421 3.395 2.239 1.00 0.00 WT4 O ATOM 50804 H1 TIP3 6731 -1.013 15.301 7.618 1.00 0.00 WT4 H ATOM 50805 H2 TIP3 6731 6.167 -5.752 -15.627 1.00 0.00 WT4 H ATOM 50806 OH2 TIP3 6740 -0.769 0.987 -4.370 1.00 0.00 WT4 O ATOM 50807 H1 TIP3 6740 -44.313 2.738 12.530 1.00 0.00 WT4 H ATOM 50808 H2 TIP3 6740 21.195 -9.607 -2.684 1.00 0.00 WT4 H ATOM 50809 OH2 TIP3 6742 -5.352 -0.275 2.047 1.00 0.00 WT4 O ATOM 50810 H1 TIP3 6742 -9.820 -2.417 4.696 1.00 0.00 WT4 H ATOM 50811 H2 TIP3 6742 3.702 5.100 -4.488 1.00 0.00 WT4 H ATOM 50812 OH2 TIP3 6743 8.236 -3.240 1.835 1.00 0.00 WT4 O ATOM 50813 H1 TIP3 6743 13.911 -0.288 -23.143 1.00 0.00 WT4 H ATOM 50814 H2 TIP3 6743 2.611 -3.991 12.047 1.00 0.00 WT4 H ATOM 50815 OH2 TIP3 6745 1.309 -0.684 -1.944 1.00 0.00 WT4 O ATOM 50816 H1 TIP3 6745 -3.715 6.948 6.312 1.00 0.00 WT4 H ATOM 50817 H2 TIP3 6745 4.281 17.816 1.567 1.00 0.00 WT4 H ATOM 50818 OH2 TIP3 6750 -2.103 -0.735 -2.039 1.00 0.00 WT4 O ATOM 50819 H1 TIP3 6750 -34.079 -12.494 -13.161 1.00 0.00 WT4 H ATOM 50820 H2 TIP3 6750 2.337 -26.395 -5.737 1.00 0.00 WT4 H ATOM 50821 OH2 TIP3 6762 3.946 2.330 -5.671 1.00 0.00 WT4 O ATOM 50822 H1 TIP3 6762 2.419 7.143 -7.258 1.00 0.00 WT4 H ATOM 50823 H2 TIP3 6762 8.625 -15.775 -1.088 1.00 0.00 WT4 H ATOM 50824 OH2 TIP3 6763 4.867 -4.328 2.721 1.00 0.00 WT4 O ATOM 50825 H1 TIP3 6763 35.895 7.336 10.912 1.00 0.00 WT4 H ATOM 50826 H2 TIP3 6763 -11.644 -11.593 -14.773 1.00 0.00 WT4 H ATOM 50827 OH2 TIP3 6765 -0.074 1.661 0.936 1.00 0.00 WT4 O ATOM 50828 H1 TIP3 6765 -9.280 7.519 -0.915 1.00 0.00 WT4 H ATOM 50829 H2 TIP3 6765 0.105 3.108 -1.818 1.00 0.00 WT4 H ATOM 50830 OH2 TIP3 6767 -0.507 4.417 2.918 1.00 0.00 WT4 O ATOM 50831 H1 TIP3 6767 -4.930 7.797 1.629 1.00 0.00 WT4 H ATOM 50832 H2 TIP3 6767 -11.047 16.481 -9.796 1.00 0.00 WT4 H ATOM 50833 OH2 TIP3 6769 -4.753 2.359 -5.476 1.00 0.00 WT4 O ATOM 50834 H1 TIP3 6769 -3.778 -25.756 -13.791 1.00 0.00 WT4 H ATOM 50835 H2 TIP3 6769 -2.763 5.667 23.065 1.00 0.00 WT4 H ATOM 50836 OH2 TIP3 6770 2.380 5.795 2.847 1.00 0.00 WT4 O ATOM 50837 H1 TIP3 6770 1.808 21.291 -8.900 1.00 0.00 WT4 H ATOM 50838 H2 TIP3 6770 1.731 9.427 5.846 1.00 0.00 WT4 H ATOM 50839 OH2 TIP3 6771 1.792 -2.423 1.371 1.00 0.00 WT4 O ATOM 50840 H1 TIP3 6771 -10.221 -4.774 0.362 1.00 0.00 WT4 H ATOM 50841 H2 TIP3 6771 2.493 10.943 -0.608 1.00 0.00 WT4 H ATOM 50842 OH2 TIP3 6786 0.647 0.973 -1.575 1.00 0.00 WT4 O ATOM 50843 H1 TIP3 6786 -5.926 6.334 -2.228 1.00 0.00 WT4 H ATOM 50844 H2 TIP3 6786 -1.341 3.868 -0.771 1.00 0.00 WT4 H ATOM 50845 OH2 TIP3 6788 5.713 -6.432 -2.580 1.00 0.00 WT4 O ATOM 50846 H1 TIP3 6788 -7.311 15.465 -6.271 1.00 0.00 WT4 H ATOM 50847 H2 TIP3 6788 -8.591 17.394 -5.309 1.00 0.00 WT4 H ATOM 50848 OH2 TIP3 6791 -4.551 2.333 3.596 1.00 0.00 WT4 O ATOM 50849 H1 TIP3 6791 14.352 -0.719 -18.066 1.00 0.00 WT4 H ATOM 50850 H2 TIP3 6791 -18.027 23.946 -5.105 1.00 0.00 WT4 H ATOM 50851 OH2 TIP3 6792 -0.871 0.441 -2.293 1.00 0.00 WT4 O ATOM 50852 H1 TIP3 6792 -17.415 9.947 15.656 1.00 0.00 WT4 H ATOM 50853 H2 TIP3 6792 -6.867 5.463 -0.159 1.00 0.00 WT4 H ATOM 50854 OH2 TIP3 6803 5.425 -3.228 -5.413 1.00 0.00 WT4 O ATOM 50855 H1 TIP3 6803 12.249 14.468 -21.618 1.00 0.00 WT4 H ATOM 50856 H2 TIP3 6803 9.282 2.967 28.027 1.00 0.00 WT4 H ATOM 50857 OH2 TIP3 6813 0.844 1.508 -4.471 1.00 0.00 WT4 O ATOM 50858 H1 TIP3 6813 -15.214 -2.578 -13.484 1.00 0.00 WT4 H ATOM 50859 H2 TIP3 6813 -10.222 -5.733 -18.812 1.00 0.00 WT4 H ATOM 50860 OH2 TIP3 6825 -3.339 0.430 -6.370 1.00 0.00 WT4 O ATOM 50861 H1 TIP3 6825 -7.917 -12.268 -4.141 1.00 0.00 WT4 H ATOM 50862 H2 TIP3 6825 16.747 -3.649 -17.904 1.00 0.00 WT4 H ATOM 50863 OH2 TIP3 6826 9.519 4.196 -3.341 1.00 0.00 WT4 O ATOM 50864 H1 TIP3 6826 21.887 22.134 9.900 1.00 0.00 WT4 H ATOM 50865 H2 TIP3 6826 10.320 -2.953 11.563 1.00 0.00 WT4 H ATOM 50866 OH2 TIP3 6827 6.075 5.360 1.146 1.00 0.00 WT4 O ATOM 50867 H1 TIP3 6827 -3.491 5.942 -6.818 1.00 0.00 WT4 H ATOM 50868 H2 TIP3 6827 5.556 -16.126 -12.258 1.00 0.00 WT4 H ATOM 50869 OH2 TIP3 6853 3.520 -4.499 -1.658 1.00 0.00 WT4 O ATOM 50870 H1 TIP3 6853 -14.606 -5.413 4.105 1.00 0.00 WT4 H ATOM 50871 H2 TIP3 6853 0.110 4.944 12.812 1.00 0.00 WT4 H ATOM 50872 OH2 TIP3 6855 -3.208 -6.960 -1.976 1.00 0.00 WT4 O ATOM 50873 H1 TIP3 6855 4.048 -14.375 5.912 1.00 0.00 WT4 H ATOM 50874 H2 TIP3 6855 7.952 2.860 -10.091 1.00 0.00 WT4 H ATOM 50875 OH2 TIP3 6872 -1.184 -0.884 1.425 1.00 0.00 WT4 O ATOM 50876 H1 TIP3 6872 7.815 -1.507 10.500 1.00 0.00 WT4 H ATOM 50877 H2 TIP3 6872 5.694 -20.308 18.668 1.00 0.00 WT4 H ATOM 50878 OH2 TIP3 6896 -2.927 11.003 -2.392 1.00 0.00 WT4 O ATOM 50879 H1 TIP3 6896 2.681 7.583 -7.174 1.00 0.00 WT4 H ATOM 50880 H2 TIP3 6896 5.074 0.495 3.354 1.00 0.00 WT4 H ATOM 50881 OH2 TIP3 6916 1.107 3.927 -0.232 1.00 0.00 WT4 O ATOM 50882 H1 TIP3 6916 5.778 20.642 15.772 1.00 0.00 WT4 H ATOM 50883 H2 TIP3 6916 -4.994 5.567 -1.882 1.00 0.00 WT4 H ATOM 50884 OH2 TIP3 6952 5.160 -0.128 -2.456 1.00 0.00 WT4 O ATOM 50885 H1 TIP3 6952 -15.595 2.454 12.265 1.00 0.00 WT4 H ATOM 50886 H2 TIP3 6952 -2.672 19.159 -26.294 1.00 0.00 WT4 H ATOM 50887 OH2 TIP3 6953 0.962 2.811 -0.737 1.00 0.00 WT4 O ATOM 50888 H1 TIP3 6953 23.208 13.834 -21.396 1.00 0.00 WT4 H ATOM 50889 H2 TIP3 6953 0.236 -14.173 -9.942 1.00 0.00 WT4 H ATOM 50890 OH2 TIP3 6955 2.395 -3.836 3.709 1.00 0.00 WT4 O ATOM 50891 H1 TIP3 6955 10.351 34.385 22.225 1.00 0.00 WT4 H ATOM 50892 H2 TIP3 6955 -15.930 2.359 1.311 1.00 0.00 WT4 H ATOM 50893 OH2 TIP3 6975 -3.647 1.477 -1.486 1.00 0.00 WT4 O ATOM 50894 H1 TIP3 6975 -7.343 6.174 -8.921 1.00 0.00 WT4 H ATOM 50895 H2 TIP3 6975 -4.227 2.256 -1.627 1.00 0.00 WT4 H ATOM 50896 OH2 TIP3 7017 -3.067 1.405 -5.922 1.00 0.00 WT4 O ATOM 50897 H1 TIP3 7017 -1.463 5.277 16.578 1.00 0.00 WT4 H ATOM 50898 H2 TIP3 7017 1.613 8.090 10.546 1.00 0.00 WT4 H ATOM 50899 OH2 TIP3 7019 3.722 3.594 -2.396 1.00 0.00 WT4 O ATOM 50900 H1 TIP3 7019 19.396 5.557 10.471 1.00 0.00 WT4 H ATOM 50901 H2 TIP3 7019 7.127 -7.812 -14.276 1.00 0.00 WT4 H ATOM 50902 OH2 TIP3 7020 -4.535 0.100 1.994 1.00 0.00 WT4 O ATOM 50903 H1 TIP3 7020 1.190 14.304 8.384 1.00 0.00 WT4 H ATOM 50904 H2 TIP3 7020 -0.610 3.744 2.924 1.00 0.00 WT4 H ATOM 50905 OH2 TIP3 7021 -2.163 4.129 -5.763 1.00 0.00 WT4 O ATOM 50906 H1 TIP3 7021 -4.858 7.714 -8.347 1.00 0.00 WT4 H ATOM 50907 H2 TIP3 7021 -7.009 -13.190 -6.179 1.00 0.00 WT4 H ATOM 50908 OH2 TIP3 7023 -2.588 0.287 -0.251 1.00 0.00 WT4 O ATOM 50909 H1 TIP3 7023 -13.665 10.311 -24.190 1.00 0.00 WT4 H ATOM 50910 H2 TIP3 7023 6.678 -9.767 21.351 1.00 0.00 WT4 H ATOM 50911 OH2 TIP3 7040 3.440 5.835 3.026 1.00 0.00 WT4 O ATOM 50912 H1 TIP3 7040 4.342 10.469 5.388 1.00 0.00 WT4 H ATOM 50913 H2 TIP3 7040 -16.067 3.369 -5.208 1.00 0.00 WT4 H ATOM 50914 OH2 TIP3 7041 -0.955 1.604 -3.137 1.00 0.00 WT4 O ATOM 50915 H1 TIP3 7041 -1.900 -14.524 -4.169 1.00 0.00 WT4 H ATOM 50916 H2 TIP3 7041 -18.782 -9.265 -7.822 1.00 0.00 WT4 H ATOM 50917 OH2 TIP3 7042 -5.371 -4.231 2.911 1.00 0.00 WT4 O ATOM 50918 H1 TIP3 7042 1.766 -9.457 9.098 1.00 0.00 WT4 H ATOM 50919 H2 TIP3 7042 -9.096 -2.919 -3.750 1.00 0.00 WT4 H ATOM 50920 OH2 TIP3 7043 -1.642 0.522 0.637 1.00 0.00 WT4 O ATOM 50921 H1 TIP3 7043 6.133 -2.119 1.613 1.00 0.00 WT4 H ATOM 50922 H2 TIP3 7043 2.120 17.922 -1.899 1.00 0.00 WT4 H ATOM 50923 OH2 TIP3 7052 6.083 -3.730 -1.676 1.00 0.00 WT4 O ATOM 50924 H1 TIP3 7052 7.256 -4.470 -0.079 1.00 0.00 WT4 H ATOM 50925 H2 TIP3 7052 1.947 3.003 -1.421 1.00 0.00 WT4 H ATOM 50926 OH2 TIP3 7058 0.221 4.976 -0.706 1.00 0.00 WT4 O ATOM 50927 H1 TIP3 7058 4.993 -6.154 -6.499 1.00 0.00 WT4 H ATOM 50928 H2 TIP3 7058 -1.186 0.503 -1.322 1.00 0.00 WT4 H ATOM 50929 OH2 TIP3 7059 0.342 5.125 -12.271 1.00 0.00 WT4 O ATOM 50930 H1 TIP3 7059 8.497 -10.911 -14.661 1.00 0.00 WT4 H ATOM 50931 H2 TIP3 7059 -5.779 -7.988 -2.887 1.00 0.00 WT4 H ATOM 50932 OH2 TIP3 7062 4.529 5.913 -1.540 1.00 0.00 WT4 O ATOM 50933 H1 TIP3 7062 -7.353 -11.053 10.839 1.00 0.00 WT4 H ATOM 50934 H2 TIP3 7062 11.396 2.242 -4.273 1.00 0.00 WT4 H ATOM 50935 OH2 TIP3 7063 10.865 -2.477 -0.595 1.00 0.00 WT4 O ATOM 50936 H1 TIP3 7063 22.769 -4.850 -16.214 1.00 0.00 WT4 H ATOM 50937 H2 TIP3 7063 8.228 -16.288 19.243 1.00 0.00 WT4 H ATOM 50938 OH2 TIP3 7065 -1.429 -7.846 1.560 1.00 0.00 WT4 O ATOM 50939 H1 TIP3 7065 7.639 -3.059 -23.737 1.00 0.00 WT4 H ATOM 50940 H2 TIP3 7065 -15.600 23.468 -8.967 1.00 0.00 WT4 H ATOM 50941 OH2 TIP3 7076 5.328 1.349 2.049 1.00 0.00 WT4 O ATOM 50942 H1 TIP3 7076 0.147 -8.033 9.395 1.00 0.00 WT4 H ATOM 50943 H2 TIP3 7076 -0.162 2.810 -13.296 1.00 0.00 WT4 H ATOM 50944 OH2 TIP3 7078 -4.936 -3.770 -0.188 1.00 0.00 WT4 O ATOM 50945 H1 TIP3 7078 -18.521 -16.850 0.068 1.00 0.00 WT4 H ATOM 50946 H2 TIP3 7078 -1.495 -1.059 -12.469 1.00 0.00 WT4 H ATOM 50947 OH2 TIP3 7081 0.895 -7.045 -6.569 1.00 0.00 WT4 O ATOM 50948 H1 TIP3 7081 1.049 -12.701 -8.528 1.00 0.00 WT4 H ATOM 50949 H2 TIP3 7081 -6.335 -13.299 -1.460 1.00 0.00 WT4 H ATOM 50950 OH2 TIP3 7100 -2.372 -1.780 4.794 1.00 0.00 WT4 O ATOM 50951 H1 TIP3 7100 -23.917 -4.330 7.543 1.00 0.00 WT4 H ATOM 50952 H2 TIP3 7100 0.496 5.946 -11.664 1.00 0.00 WT4 H ATOM 50953 OH2 TIP3 7101 1.396 3.030 -4.450 1.00 0.00 WT4 O ATOM 50954 H1 TIP3 7101 3.535 3.846 -3.532 1.00 0.00 WT4 H ATOM 50955 H2 TIP3 7101 2.824 0.687 1.019 1.00 0.00 WT4 H ATOM 50956 OH2 TIP3 7102 4.488 1.527 4.842 1.00 0.00 WT4 O ATOM 50957 H1 TIP3 7102 0.226 19.792 0.645 1.00 0.00 WT4 H ATOM 50958 H2 TIP3 7102 21.452 -7.460 -6.962 1.00 0.00 WT4 H ATOM 50959 OH2 TIP3 7104 -3.864 1.913 -1.200 1.00 0.00 WT4 O ATOM 50960 H1 TIP3 7104 -3.328 -10.063 -0.824 1.00 0.00 WT4 H ATOM 50961 H2 TIP3 7104 6.642 6.195 6.299 1.00 0.00 WT4 H ATOM 50962 OH2 TIP3 7121 1.462 -0.035 -11.140 1.00 0.00 WT4 O ATOM 50963 H1 TIP3 7121 -1.894 5.972 -15.848 1.00 0.00 WT4 H ATOM 50964 H2 TIP3 7121 -4.264 4.432 -12.914 1.00 0.00 WT4 H ATOM 50965 OH2 TIP3 7122 7.429 4.638 4.816 1.00 0.00 WT4 O ATOM 50966 H1 TIP3 7122 -4.415 1.389 8.404 1.00 0.00 WT4 H ATOM 50967 H2 TIP3 7122 -3.370 9.091 12.438 1.00 0.00 WT4 H ATOM 50968 OH2 TIP3 7123 10.579 -3.759 -1.376 1.00 0.00 WT4 O ATOM 50969 H1 TIP3 7123 6.883 -16.960 -12.660 1.00 0.00 WT4 H ATOM 50970 H2 TIP3 7123 3.222 -5.458 -5.714 1.00 0.00 WT4 H ATOM 50971 OH2 TIP3 7128 -4.109 -1.296 0.868 1.00 0.00 WT4 O ATOM 50972 H1 TIP3 7128 -6.107 11.249 -2.823 1.00 0.00 WT4 H ATOM 50973 H2 TIP3 7128 2.810 -7.769 -10.222 1.00 0.00 WT4 H ATOM 50974 OH2 TIP3 7141 4.079 5.426 -2.251 1.00 0.00 WT4 O ATOM 50975 H1 TIP3 7141 4.946 8.185 16.440 1.00 0.00 WT4 H ATOM 50976 H2 TIP3 7141 -8.721 25.162 14.922 1.00 0.00 WT4 H ATOM 50977 OH2 TIP3 7142 0.483 -2.450 -2.207 1.00 0.00 WT4 O ATOM 50978 H1 TIP3 7142 7.117 5.046 -1.786 1.00 0.00 WT4 H ATOM 50979 H2 TIP3 7142 14.224 -0.145 4.138 1.00 0.00 WT4 H ATOM 50980 OH2 TIP3 7143 0.199 3.045 -2.166 1.00 0.00 WT4 O ATOM 50981 H1 TIP3 7143 -26.762 1.494 -10.211 1.00 0.00 WT4 H ATOM 50982 H2 TIP3 7143 2.357 22.336 -11.433 1.00 0.00 WT4 H ATOM 50983 OH2 TIP3 7144 -1.807 2.022 3.252 1.00 0.00 WT4 O ATOM 50984 H1 TIP3 7144 1.348 -9.742 16.956 1.00 0.00 WT4 H ATOM 50985 H2 TIP3 7144 10.354 4.878 5.983 1.00 0.00 WT4 H ATOM 50986 OH2 TIP3 7145 4.889 -1.257 -1.194 1.00 0.00 WT4 O ATOM 50987 H1 TIP3 7145 -1.885 1.822 0.350 1.00 0.00 WT4 H ATOM 50988 H2 TIP3 7145 4.174 -17.753 10.745 1.00 0.00 WT4 H ATOM 50989 OH2 TIP3 7146 6.266 -1.539 0.141 1.00 0.00 WT4 O ATOM 50990 H1 TIP3 7146 7.079 7.977 2.507 1.00 0.00 WT4 H ATOM 50991 H2 TIP3 7146 -1.601 -4.574 1.212 1.00 0.00 WT4 H ATOM 50992 OH2 TIP3 7147 1.792 -1.285 -2.308 1.00 0.00 WT4 O ATOM 50993 H1 TIP3 7147 6.830 -9.158 -5.228 1.00 0.00 WT4 H ATOM 50994 H2 TIP3 7147 6.754 1.371 5.927 1.00 0.00 WT4 H ATOM 50995 OH2 TIP3 7148 0.523 -5.826 0.472 1.00 0.00 WT4 O ATOM 50996 H1 TIP3 7148 8.448 11.880 -7.942 1.00 0.00 WT4 H ATOM 50997 H2 TIP3 7148 14.067 30.357 -17.049 1.00 0.00 WT4 H ATOM 50998 OH2 TIP3 7161 -3.833 6.936 2.438 1.00 0.00 WT4 O ATOM 50999 H1 TIP3 7161 -13.567 40.082 13.386 1.00 0.00 WT4 H ATOM 51000 H2 TIP3 7161 -3.038 -0.329 -4.069 1.00 0.00 WT4 H ATOM 51001 OH2 TIP3 7166 4.856 -5.080 1.859 1.00 0.00 WT4 O ATOM 51002 H1 TIP3 7166 -15.696 18.703 -1.040 1.00 0.00 WT4 H ATOM 51003 H2 TIP3 7166 -20.356 24.790 -0.737 1.00 0.00 WT4 H ATOM 51004 OH2 TIP3 7181 -2.932 1.486 3.203 1.00 0.00 WT4 O ATOM 51005 H1 TIP3 7181 14.396 -28.270 -3.286 1.00 0.00 WT4 H ATOM 51006 H2 TIP3 7181 -14.563 3.909 2.764 1.00 0.00 WT4 H ATOM 51007 OH2 TIP3 7182 10.053 -5.261 2.405 1.00 0.00 WT4 O ATOM 51008 H1 TIP3 7182 -17.726 17.941 13.524 1.00 0.00 WT4 H ATOM 51009 H2 TIP3 7182 -19.399 -2.267 36.758 1.00 0.00 WT4 H ATOM 51010 OH2 TIP3 7183 2.308 -2.961 -4.448 1.00 0.00 WT4 O ATOM 51011 H1 TIP3 7183 7.295 -0.148 -13.673 1.00 0.00 WT4 H ATOM 51012 H2 TIP3 7183 11.042 -14.282 6.679 1.00 0.00 WT4 H ATOM 51013 OH2 TIP3 7184 0.592 -2.680 2.142 1.00 0.00 WT4 O ATOM 51014 H1 TIP3 7184 -24.381 -1.417 -15.022 1.00 0.00 WT4 H ATOM 51015 H2 TIP3 7184 7.244 16.389 -19.235 1.00 0.00 WT4 H ATOM 51016 OH2 TIP3 7185 0.049 -4.810 3.629 1.00 0.00 WT4 O ATOM 51017 H1 TIP3 7185 -4.296 0.036 -1.628 1.00 0.00 WT4 H ATOM 51018 H2 TIP3 7185 8.173 -4.446 2.506 1.00 0.00 WT4 H ATOM 51019 OH2 TIP3 7186 -1.631 1.242 4.609 1.00 0.00 WT4 O ATOM 51020 H1 TIP3 7186 -16.152 3.179 2.894 1.00 0.00 WT4 H ATOM 51021 H2 TIP3 7186 1.457 4.815 1.834 1.00 0.00 WT4 H ATOM 51022 OH2 TIP3 7187 2.674 -2.718 0.784 1.00 0.00 WT4 O ATOM 51023 H1 TIP3 7187 8.338 2.081 -8.512 1.00 0.00 WT4 H ATOM 51024 H2 TIP3 7187 3.927 -11.448 -3.055 1.00 0.00 WT4 H ATOM 51025 OH2 TIP3 7189 1.405 4.541 -0.020 1.00 0.00 WT4 O ATOM 51026 H1 TIP3 7189 4.943 9.054 0.151 1.00 0.00 WT4 H ATOM 51027 H2 TIP3 7189 -5.013 2.792 -1.552 1.00 0.00 WT4 H ATOM 51028 OH2 TIP3 7200 -2.996 3.114 3.414 1.00 0.00 WT4 O ATOM 51029 H1 TIP3 7200 -3.436 -10.143 -20.667 1.00 0.00 WT4 H ATOM 51030 H2 TIP3 7200 -2.340 -6.651 -15.370 1.00 0.00 WT4 H ATOM 51031 OH2 TIP3 7203 -6.555 3.328 5.519 1.00 0.00 WT4 O ATOM 51032 H1 TIP3 7203 -9.653 -15.624 -21.946 1.00 0.00 WT4 H ATOM 51033 H2 TIP3 7203 -6.070 -5.418 -6.530 1.00 0.00 WT4 H ATOM 51034 OH2 TIP3 7206 -5.080 -1.879 3.062 1.00 0.00 WT4 O ATOM 51035 H1 TIP3 7206 -25.132 0.375 -9.408 1.00 0.00 WT4 H ATOM 51036 H2 TIP3 7206 6.287 -0.163 -18.730 1.00 0.00 WT4 H ATOM 51037 OH2 TIP3 7209 2.794 3.719 -2.495 1.00 0.00 WT4 O ATOM 51038 H1 TIP3 7209 12.431 12.704 5.277 1.00 0.00 WT4 H ATOM 51039 H2 TIP3 7209 6.478 -7.776 19.089 1.00 0.00 WT4 H ATOM 51040 OH2 TIP3 7210 3.370 -0.455 -1.928 1.00 0.00 WT4 O ATOM 51041 H1 TIP3 7210 7.947 1.494 11.746 1.00 0.00 WT4 H ATOM 51042 H2 TIP3 7210 -20.949 -18.008 -11.966 1.00 0.00 WT4 H ATOM 51043 OH2 TIP3 7211 2.922 -5.701 4.087 1.00 0.00 WT4 O ATOM 51044 H1 TIP3 7211 -9.451 -0.523 26.411 1.00 0.00 WT4 H ATOM 51045 H2 TIP3 7211 10.787 1.606 1.962 1.00 0.00 WT4 H ATOM 51046 OH2 TIP3 7213 3.365 -0.118 -3.683 1.00 0.00 WT4 O ATOM 51047 H1 TIP3 7213 -7.222 1.566 -1.907 1.00 0.00 WT4 H ATOM 51048 H2 TIP3 7213 -6.608 1.221 -2.168 1.00 0.00 WT4 H ATOM 51049 OH2 TIP3 7222 1.247 4.451 -7.930 1.00 0.00 WT4 O ATOM 51050 H1 TIP3 7222 -3.493 -4.470 -7.102 1.00 0.00 WT4 H ATOM 51051 H2 TIP3 7222 -13.618 3.839 1.665 1.00 0.00 WT4 H ATOM 51052 OH2 TIP3 7227 8.497 -5.838 -4.248 1.00 0.00 WT4 O ATOM 51053 H1 TIP3 7227 29.156 9.694 2.985 1.00 0.00 WT4 H ATOM 51054 H2 TIP3 7227 3.309 -6.696 -5.347 1.00 0.00 WT4 H ATOM 51055 OH2 TIP3 7228 -6.543 5.988 -2.988 1.00 0.00 WT4 O ATOM 51056 H1 TIP3 7228 8.807 19.032 3.011 1.00 0.00 WT4 H ATOM 51057 H2 TIP3 7228 -12.079 6.149 2.977 1.00 0.00 WT4 H ATOM 51058 OH2 TIP3 7229 3.859 6.125 3.809 1.00 0.00 WT4 O ATOM 51059 H1 TIP3 7229 1.657 9.954 13.423 1.00 0.00 WT4 H ATOM 51060 H2 TIP3 7229 16.523 0.250 3.298 1.00 0.00 WT4 H ATOM 51061 OH2 TIP3 7230 4.731 -2.266 -3.377 1.00 0.00 WT4 O ATOM 51062 H1 TIP3 7230 4.546 -23.383 -2.481 1.00 0.00 WT4 H ATOM 51063 H2 TIP3 7230 5.403 -7.966 10.576 1.00 0.00 WT4 H ATOM 51064 OH2 TIP3 7247 8.466 -1.541 3.903 1.00 0.00 WT4 O ATOM 51065 H1 TIP3 7247 7.997 13.062 2.236 1.00 0.00 WT4 H ATOM 51066 H2 TIP3 7247 5.389 14.767 3.511 1.00 0.00 WT4 H ATOM 51067 OH2 TIP3 7248 5.869 7.025 -3.517 1.00 0.00 WT4 O ATOM 51068 H1 TIP3 7248 0.102 -5.889 -4.503 1.00 0.00 WT4 H ATOM 51069 H2 TIP3 7248 4.289 -6.563 -1.765 1.00 0.00 WT4 H ATOM 51070 OH2 TIP3 7249 6.923 -3.555 -1.691 1.00 0.00 WT4 O ATOM 51071 H1 TIP3 7249 6.302 14.179 13.615 1.00 0.00 WT4 H ATOM 51072 H2 TIP3 7249 -3.895 0.810 6.293 1.00 0.00 WT4 H ATOM 51073 OH2 TIP3 7250 8.487 4.015 -4.844 1.00 0.00 WT4 O ATOM 51074 H1 TIP3 7250 -12.744 18.703 -12.385 1.00 0.00 WT4 H ATOM 51075 H2 TIP3 7250 23.060 16.219 12.669 1.00 0.00 WT4 H ATOM 51076 OH2 TIP3 7253 -1.582 0.048 -1.230 1.00 0.00 WT4 O ATOM 51077 H1 TIP3 7253 4.538 -7.173 -0.924 1.00 0.00 WT4 H ATOM 51078 H2 TIP3 7253 3.582 -5.004 0.002 1.00 0.00 WT4 H ATOM 51079 OH2 TIP3 7254 -4.964 -3.914 -5.206 1.00 0.00 WT4 O ATOM 51080 H1 TIP3 7254 7.375 -5.348 2.226 1.00 0.00 WT4 H ATOM 51081 H2 TIP3 7254 -8.011 -7.326 0.639 1.00 0.00 WT4 H ATOM 51082 OH2 TIP3 7264 -2.487 -11.671 8.279 1.00 0.00 WT4 O ATOM 51083 H1 TIP3 7264 5.095 -0.172 0.251 1.00 0.00 WT4 H ATOM 51084 H2 TIP3 7264 -2.209 -3.762 26.639 1.00 0.00 WT4 H ATOM 51085 OH2 TIP3 7267 -0.582 -1.351 -0.300 1.00 0.00 WT4 O ATOM 51086 H1 TIP3 7267 -6.457 -24.424 -6.307 1.00 0.00 WT4 H ATOM 51087 H2 TIP3 7267 -1.780 -20.310 -2.258 1.00 0.00 WT4 H ATOM 51088 OH2 TIP3 7270 -4.122 -2.042 -3.764 1.00 0.00 WT4 O ATOM 51089 H1 TIP3 7270 -11.437 -2.261 8.451 1.00 0.00 WT4 H ATOM 51090 H2 TIP3 7270 -2.408 18.050 2.478 1.00 0.00 WT4 H ATOM 51091 OH2 TIP3 7311 0.720 3.281 2.380 1.00 0.00 WT4 O ATOM 51092 H1 TIP3 7311 -2.901 23.022 6.830 1.00 0.00 WT4 H ATOM 51093 H2 TIP3 7311 9.739 -10.958 0.140 1.00 0.00 WT4 H ATOM 51094 OH2 TIP3 7312 -6.229 -3.275 2.347 1.00 0.00 WT4 O ATOM 51095 H1 TIP3 7312 -5.798 5.999 -7.386 1.00 0.00 WT4 H ATOM 51096 H2 TIP3 7312 -20.803 -8.533 5.822 1.00 0.00 WT4 H ATOM 51097 OH2 TIP3 7415 1.731 5.005 -0.812 1.00 0.00 WT4 O ATOM 51098 H1 TIP3 7415 -12.387 -3.501 -8.985 1.00 0.00 WT4 H ATOM 51099 H2 TIP3 7415 0.975 8.475 -6.198 1.00 0.00 WT4 H ATOM 51100 OH2 TIP3 7418 -5.492 -9.769 1.256 1.00 0.00 WT4 O ATOM 51101 H1 TIP3 7418 -16.371 -2.579 -9.955 1.00 0.00 WT4 H ATOM 51102 H2 TIP3 7418 -0.964 9.226 29.702 1.00 0.00 WT4 H ATOM 51103 OH2 TIP3 7435 -0.103 0.056 4.893 1.00 0.00 WT4 O ATOM 51104 H1 TIP3 7435 -9.458 24.874 -2.254 1.00 0.00 WT4 H ATOM 51105 H2 TIP3 7435 -0.273 3.732 11.441 1.00 0.00 WT4 H ATOM 51106 OH2 TIP3 7437 -1.867 2.402 2.285 1.00 0.00 WT4 O ATOM 51107 H1 TIP3 7437 -11.131 2.248 10.167 1.00 0.00 WT4 H ATOM 51108 H2 TIP3 7437 10.287 -11.455 12.225 1.00 0.00 WT4 H ATOM 51109 OH2 TIP3 7439 1.171 -5.539 0.916 1.00 0.00 WT4 O ATOM 51110 H1 TIP3 7439 4.359 17.348 -13.049 1.00 0.00 WT4 H ATOM 51111 H2 TIP3 7439 11.047 -17.181 0.257 1.00 0.00 WT4 H ATOM 51112 OH2 TIP3 7455 -1.083 -2.193 -0.345 1.00 0.00 WT4 O ATOM 51113 H1 TIP3 7455 4.319 -5.982 -6.960 1.00 0.00 WT4 H ATOM 51114 H2 TIP3 7455 7.495 4.006 -0.828 1.00 0.00 WT4 H ATOM 51115 OH2 TIP3 7461 1.877 2.617 -1.315 1.00 0.00 WT4 O ATOM 51116 H1 TIP3 7461 7.818 12.812 6.158 1.00 0.00 WT4 H ATOM 51117 H2 TIP3 7461 -12.239 -0.779 -8.150 1.00 0.00 WT4 H ATOM 51118 OH2 TIP3 7479 1.093 -2.126 -1.136 1.00 0.00 WT4 O ATOM 51119 H1 TIP3 7479 -21.686 1.205 18.848 1.00 0.00 WT4 H ATOM 51120 H2 TIP3 7479 20.172 -4.982 -15.528 1.00 0.00 WT4 H ATOM 51121 OH2 TIP3 7480 -6.959 6.046 -1.029 1.00 0.00 WT4 O ATOM 51122 H1 TIP3 7480 10.034 -4.972 17.483 1.00 0.00 WT4 H ATOM 51123 H2 TIP3 7480 -11.780 10.627 -5.804 1.00 0.00 WT4 H ATOM 51124 OH2 TIP3 7481 -2.751 0.095 0.582 1.00 0.00 WT4 O ATOM 51125 H1 TIP3 7481 10.362 -7.381 -25.029 1.00 0.00 WT4 H ATOM 51126 H2 TIP3 7481 -22.930 14.925 2.004 1.00 0.00 WT4 H ATOM 51127 OH2 TIP3 7493 -0.394 2.808 -1.768 1.00 0.00 WT4 O ATOM 51128 H1 TIP3 7493 -11.756 -2.853 -7.192 1.00 0.00 WT4 H ATOM 51129 H2 TIP3 7493 5.132 -6.479 5.719 1.00 0.00 WT4 H ATOM 51130 OH2 TIP3 7498 5.083 1.342 -0.214 1.00 0.00 WT4 O ATOM 51131 H1 TIP3 7498 -2.417 9.104 -0.570 1.00 0.00 WT4 H ATOM 51132 H2 TIP3 7498 -2.708 -6.905 1.361 1.00 0.00 WT4 H ATOM 51133 OH2 TIP3 7500 -3.903 3.308 -7.728 1.00 0.00 WT4 O ATOM 51134 H1 TIP3 7500 -4.432 8.968 2.473 1.00 0.00 WT4 H ATOM 51135 H2 TIP3 7500 16.797 -3.434 1.270 1.00 0.00 WT4 H ATOM 51136 OH2 TIP3 7501 2.035 -8.412 0.128 1.00 0.00 WT4 O ATOM 51137 H1 TIP3 7501 -29.851 -0.808 -8.081 1.00 0.00 WT4 H ATOM 51138 H2 TIP3 7501 17.032 -19.191 -20.317 1.00 0.00 WT4 H ATOM 51139 OH2 TIP3 7503 -0.363 -6.252 -4.183 1.00 0.00 WT4 O ATOM 51140 H1 TIP3 7503 4.119 -3.307 3.482 1.00 0.00 WT4 H ATOM 51141 H2 TIP3 7503 0.818 13.497 1.711 1.00 0.00 WT4 H ATOM 51142 OH2 TIP3 7504 -0.498 -1.721 5.309 1.00 0.00 WT4 O ATOM 51143 H1 TIP3 7504 -5.886 1.060 4.578 1.00 0.00 WT4 H ATOM 51144 H2 TIP3 7504 -1.741 -7.388 10.261 1.00 0.00 WT4 H ATOM 51145 OH2 TIP3 7510 2.955 -1.525 -2.773 1.00 0.00 WT4 O ATOM 51146 H1 TIP3 7510 -14.744 4.275 -13.193 1.00 0.00 WT4 H ATOM 51147 H2 TIP3 7510 -3.490 0.709 -5.341 1.00 0.00 WT4 H ATOM 51148 OH2 TIP3 7519 3.316 1.779 -3.196 1.00 0.00 WT4 O ATOM 51149 H1 TIP3 7519 -9.299 -9.150 -10.914 1.00 0.00 WT4 H ATOM 51150 H2 TIP3 7519 3.497 11.862 -22.416 1.00 0.00 WT4 H ATOM 51151 OH2 TIP3 7522 -2.974 -0.357 6.119 1.00 0.00 WT4 O ATOM 51152 H1 TIP3 7522 -21.729 -19.361 -28.169 1.00 0.00 WT4 H ATOM 51153 H2 TIP3 7522 -2.186 8.258 5.756 1.00 0.00 WT4 H ATOM 51154 OH2 TIP3 7523 3.870 -2.835 1.827 1.00 0.00 WT4 O ATOM 51155 H1 TIP3 7523 13.129 -5.653 23.507 1.00 0.00 WT4 H ATOM 51156 H2 TIP3 7523 1.720 9.899 -12.960 1.00 0.00 WT4 H ATOM 51157 OH2 TIP3 7525 -2.913 2.465 -0.112 1.00 0.00 WT4 O ATOM 51158 H1 TIP3 7525 6.449 8.210 -6.755 1.00 0.00 WT4 H ATOM 51159 H2 TIP3 7525 12.714 6.709 -13.371 1.00 0.00 WT4 H ATOM 51160 OH2 TIP3 7526 0.818 3.432 0.515 1.00 0.00 WT4 O ATOM 51161 H1 TIP3 7526 -2.732 0.602 6.328 1.00 0.00 WT4 H ATOM 51162 H2 TIP3 7526 2.016 -2.538 -3.460 1.00 0.00 WT4 H ATOM 51163 OH2 TIP3 7541 2.385 -5.115 1.581 1.00 0.00 WT4 O ATOM 51164 H1 TIP3 7541 0.374 -5.929 3.864 1.00 0.00 WT4 H ATOM 51165 H2 TIP3 7541 6.775 -3.361 -1.643 1.00 0.00 WT4 H ATOM 51166 OH2 TIP3 7544 3.198 2.336 -1.548 1.00 0.00 WT4 O ATOM 51167 H1 TIP3 7544 17.419 -18.886 -11.058 1.00 0.00 WT4 H ATOM 51168 H2 TIP3 7544 -6.272 -3.105 0.773 1.00 0.00 WT4 H ATOM 51169 OH2 TIP3 7545 6.158 -0.131 -1.702 1.00 0.00 WT4 O ATOM 51170 H1 TIP3 7545 13.310 7.775 5.569 1.00 0.00 WT4 H ATOM 51171 H2 TIP3 7545 15.831 -12.125 1.352 1.00 0.00 WT4 H ATOM 51172 OH2 TIP3 7559 3.056 -2.535 3.905 1.00 0.00 WT4 O ATOM 51173 H1 TIP3 7559 -5.940 -5.598 19.422 1.00 0.00 WT4 H ATOM 51174 H2 TIP3 7559 8.532 -3.245 -13.372 1.00 0.00 WT4 H ATOM 51175 OH2 TIP3 7561 -0.278 -8.205 -2.480 1.00 0.00 WT4 O ATOM 51176 H1 TIP3 7561 -4.936 -8.960 -23.329 1.00 0.00 WT4 H ATOM 51177 H2 TIP3 7561 -6.347 -12.182 -16.312 1.00 0.00 WT4 H ATOM 51178 OH2 TIP3 7563 0.504 5.035 5.101 1.00 0.00 WT4 O ATOM 51179 H1 TIP3 7563 27.859 10.073 -7.922 1.00 0.00 WT4 H ATOM 51180 H2 TIP3 7563 5.281 3.830 0.478 1.00 0.00 WT4 H ATOM 51181 OH2 TIP3 7564 3.604 -3.208 3.120 1.00 0.00 WT4 O ATOM 51182 H1 TIP3 7564 9.074 10.646 -8.023 1.00 0.00 WT4 H ATOM 51183 H2 TIP3 7564 -11.173 7.473 15.484 1.00 0.00 WT4 H ATOM 51184 OH2 TIP3 7567 11.174 2.202 -0.212 1.00 0.00 WT4 O ATOM 51185 H1 TIP3 7567 -1.585 -14.548 0.305 1.00 0.00 WT4 H ATOM 51186 H2 TIP3 7567 5.228 25.665 -4.025 1.00 0.00 WT4 H ATOM 51187 OH2 TIP3 7582 7.700 3.161 0.297 1.00 0.00 WT4 O ATOM 51188 H1 TIP3 7582 7.602 2.983 1.334 1.00 0.00 WT4 H ATOM 51189 H2 TIP3 7582 9.971 8.153 -16.621 1.00 0.00 WT4 H ATOM 51190 OH2 TIP3 7584 -3.132 -0.503 -0.998 1.00 0.00 WT4 O ATOM 51191 H1 TIP3 7584 -11.629 26.851 23.846 1.00 0.00 WT4 H ATOM 51192 H2 TIP3 7584 7.656 2.737 1.881 1.00 0.00 WT4 H ATOM 51193 OH2 TIP3 7586 -4.001 -5.295 -3.037 1.00 0.00 WT4 O ATOM 51194 H1 TIP3 7586 -5.614 -9.908 -16.874 1.00 0.00 WT4 H ATOM 51195 H2 TIP3 7586 4.259 9.539 51.266 1.00 0.00 WT4 H ATOM 51196 OH2 TIP3 7594 9.741 -0.957 2.137 1.00 0.00 WT4 O ATOM 51197 H1 TIP3 7594 11.528 5.184 7.028 1.00 0.00 WT4 H ATOM 51198 H2 TIP3 7594 -10.201 -8.764 -6.259 1.00 0.00 WT4 H ATOM 51199 OH2 TIP3 7602 -1.760 2.614 10.297 1.00 0.00 WT4 O ATOM 51200 H1 TIP3 7602 0.075 9.361 13.720 1.00 0.00 WT4 H ATOM 51201 H2 TIP3 7602 -3.147 -0.492 8.831 1.00 0.00 WT4 H ATOM 51202 OH2 TIP3 7605 1.603 2.525 0.681 1.00 0.00 WT4 O ATOM 51203 H1 TIP3 7605 5.863 6.972 2.301 1.00 0.00 WT4 H ATOM 51204 H2 TIP3 7605 -4.146 7.246 -3.143 1.00 0.00 WT4 H ATOM 51205 OH2 TIP3 7608 -6.693 0.197 5.347 1.00 0.00 WT4 O ATOM 51206 H1 TIP3 7608 -6.902 0.899 4.932 1.00 0.00 WT4 H ATOM 51207 H2 TIP3 7608 4.412 -13.142 19.217 1.00 0.00 WT4 H ATOM 51208 OH2 TIP3 7612 2.749 4.289 -0.853 1.00 0.00 WT4 O ATOM 51209 H1 TIP3 7612 -24.726 11.088 8.546 1.00 0.00 WT4 H ATOM 51210 H2 TIP3 7612 6.541 9.582 14.345 1.00 0.00 WT4 H ATOM 51211 OH2 TIP3 7625 -2.289 -1.782 1.035 1.00 0.00 WT4 O ATOM 51212 H1 TIP3 7625 -6.988 -4.134 7.538 1.00 0.00 WT4 H ATOM 51213 H2 TIP3 7625 14.750 5.556 0.114 1.00 0.00 WT4 H ATOM 51214 OH2 TIP3 7626 1.691 1.892 0.812 1.00 0.00 WT4 O ATOM 51215 H1 TIP3 7626 -0.279 29.504 -7.790 1.00 0.00 WT4 H ATOM 51216 H2 TIP3 7626 -25.287 -10.620 10.293 1.00 0.00 WT4 H ATOM 51217 OH2 TIP3 7628 -2.121 -4.892 4.563 1.00 0.00 WT4 O ATOM 51218 H1 TIP3 7628 2.873 -8.590 -9.796 1.00 0.00 WT4 H ATOM 51219 H2 TIP3 7628 -1.825 -6.962 11.127 1.00 0.00 WT4 H ATOM 51220 OH2 TIP3 7629 6.562 -1.300 -0.508 1.00 0.00 WT4 O ATOM 51221 H1 TIP3 7629 12.128 -2.283 -10.453 1.00 0.00 WT4 H ATOM 51222 H2 TIP3 7629 -5.033 -4.551 3.167 1.00 0.00 WT4 H ATOM 51223 OH2 TIP3 7630 4.013 2.256 -1.192 1.00 0.00 WT4 O ATOM 51224 H1 TIP3 7630 14.776 2.244 9.484 1.00 0.00 WT4 H ATOM 51225 H2 TIP3 7630 0.630 13.091 -5.366 1.00 0.00 WT4 H ATOM 51226 OH2 TIP3 7631 1.968 1.422 1.554 1.00 0.00 WT4 O ATOM 51227 H1 TIP3 7631 5.373 -17.154 -19.160 1.00 0.00 WT4 H ATOM 51228 H2 TIP3 7631 2.058 5.142 12.868 1.00 0.00 WT4 H ATOM 51229 OH2 TIP3 7643 -3.505 -0.515 0.096 1.00 0.00 WT4 O ATOM 51230 H1 TIP3 7643 -2.873 -5.567 5.139 1.00 0.00 WT4 H ATOM 51231 H2 TIP3 7643 18.195 7.297 17.488 1.00 0.00 WT4 H ATOM 51232 OH2 TIP3 7644 -1.469 5.297 -0.015 1.00 0.00 WT4 O ATOM 51233 H1 TIP3 7644 -2.249 5.608 -3.741 1.00 0.00 WT4 H ATOM 51234 H2 TIP3 7644 9.147 21.970 17.981 1.00 0.00 WT4 H ATOM 51235 OH2 TIP3 7645 -4.116 5.232 -4.110 1.00 0.00 WT4 O ATOM 51236 H1 TIP3 7645 23.377 -8.306 3.080 1.00 0.00 WT4 H ATOM 51237 H2 TIP3 7645 -3.262 -6.751 11.391 1.00 0.00 WT4 H ATOM 51238 OH2 TIP3 7646 -5.576 -1.829 -3.186 1.00 0.00 WT4 O ATOM 51239 H1 TIP3 7646 -12.102 -18.153 -1.562 1.00 0.00 WT4 H ATOM 51240 H2 TIP3 7646 1.597 2.248 13.555 1.00 0.00 WT4 H ATOM 51241 OH2 TIP3 7647 5.791 -1.060 -2.678 1.00 0.00 WT4 O ATOM 51242 H1 TIP3 7647 3.390 0.218 -6.307 1.00 0.00 WT4 H ATOM 51243 H2 TIP3 7647 -9.931 -10.779 -2.200 1.00 0.00 WT4 H ATOM 51244 OH2 TIP3 7649 4.242 0.414 -0.825 1.00 0.00 WT4 O ATOM 51245 H1 TIP3 7649 1.332 -8.977 2.110 1.00 0.00 WT4 H ATOM 51246 H2 TIP3 7649 26.542 1.200 39.053 1.00 0.00 WT4 H ATOM 51247 OH2 TIP3 7650 -2.057 -3.614 0.360 1.00 0.00 WT4 O ATOM 51248 H1 TIP3 7650 -3.411 -3.741 0.511 1.00 0.00 WT4 H ATOM 51249 H2 TIP3 7650 17.160 4.776 -5.030 1.00 0.00 WT4 H ATOM 51250 OH2 TIP3 7652 3.228 4.982 5.508 1.00 0.00 WT4 O ATOM 51251 H1 TIP3 7652 1.722 7.963 1.705 1.00 0.00 WT4 H ATOM 51252 H2 TIP3 7652 2.249 14.641 -2.921 1.00 0.00 WT4 H ATOM 51253 OH2 TIP3 7653 7.686 -0.588 4.541 1.00 0.00 WT4 O ATOM 51254 H1 TIP3 7653 -3.204 -10.540 26.514 1.00 0.00 WT4 H ATOM 51255 H2 TIP3 7653 13.259 10.056 -7.941 1.00 0.00 WT4 H ATOM 51256 OH2 TIP3 7663 2.106 -1.770 6.438 1.00 0.00 WT4 O ATOM 51257 H1 TIP3 7663 5.359 -1.726 6.100 1.00 0.00 WT4 H ATOM 51258 H2 TIP3 7663 4.898 -7.585 17.233 1.00 0.00 WT4 H ATOM 51259 OH2 TIP3 7668 6.886 5.116 -7.180 1.00 0.00 WT4 O ATOM 51260 H1 TIP3 7668 3.145 16.328 -6.125 1.00 0.00 WT4 H ATOM 51261 H2 TIP3 7668 11.647 -4.774 -2.882 1.00 0.00 WT4 H ATOM 51262 OH2 TIP3 7669 2.358 3.622 1.943 1.00 0.00 WT4 O ATOM 51263 H1 TIP3 7669 5.847 8.096 -3.928 1.00 0.00 WT4 H ATOM 51264 H2 TIP3 7669 9.155 12.310 -11.674 1.00 0.00 WT4 H ATOM 51265 OH2 TIP3 7670 0.664 1.973 -3.701 1.00 0.00 WT4 O ATOM 51266 H1 TIP3 7670 2.325 0.971 -0.551 1.00 0.00 WT4 H ATOM 51267 H2 TIP3 7670 3.610 0.182 5.570 1.00 0.00 WT4 H ATOM 51268 OH2 TIP3 7671 -0.083 -1.209 1.050 1.00 0.00 WT4 O ATOM 51269 H1 TIP3 7671 -2.046 0.746 -1.320 1.00 0.00 WT4 H ATOM 51270 H2 TIP3 7671 5.910 -9.945 9.484 1.00 0.00 WT4 H ATOM 51271 OH2 TIP3 7686 -1.267 1.561 5.765 1.00 0.00 WT4 O ATOM 51272 H1 TIP3 7686 -2.674 9.478 10.181 1.00 0.00 WT4 H ATOM 51273 H2 TIP3 7686 2.875 1.832 -2.425 1.00 0.00 WT4 H ATOM 51274 OH2 TIP3 7690 2.559 5.224 -5.616 1.00 0.00 WT4 O ATOM 51275 H1 TIP3 7690 -3.638 48.570 8.588 1.00 0.00 WT4 H ATOM 51276 H2 TIP3 7690 -10.253 -25.366 4.901 1.00 0.00 WT4 H ATOM 51277 OH2 TIP3 7691 -6.854 3.985 -1.869 1.00 0.00 WT4 O ATOM 51278 H1 TIP3 7691 -3.883 -0.207 4.859 1.00 0.00 WT4 H ATOM 51279 H2 TIP3 7691 4.483 9.769 -5.577 1.00 0.00 WT4 H ATOM 51280 OH2 TIP3 7694 0.457 1.387 2.134 1.00 0.00 WT4 O ATOM 51281 H1 TIP3 7694 1.228 -10.338 14.034 1.00 0.00 WT4 H ATOM 51282 H2 TIP3 7694 -21.816 -11.254 8.107 1.00 0.00 WT4 H ATOM 51283 OH2 TIP3 7695 2.117 2.686 -4.036 1.00 0.00 WT4 O ATOM 51284 H1 TIP3 7695 -0.021 13.700 2.508 1.00 0.00 WT4 H ATOM 51285 H2 TIP3 7695 4.457 12.300 -8.456 1.00 0.00 WT4 H ATOM 51286 OH2 TIP3 7696 -0.211 2.141 -1.357 1.00 0.00 WT4 O ATOM 51287 H1 TIP3 7696 7.508 -4.075 -6.944 1.00 0.00 WT4 H ATOM 51288 H2 TIP3 7696 4.841 -8.969 -10.752 1.00 0.00 WT4 H ATOM 51289 OH2 TIP3 7698 2.610 2.010 3.135 1.00 0.00 WT4 O ATOM 51290 H1 TIP3 7698 5.483 -15.804 6.428 1.00 0.00 WT4 H ATOM 51291 H2 TIP3 7698 -14.308 -0.938 -2.511 1.00 0.00 WT4 H ATOM 51292 OH2 TIP3 7705 -8.189 -4.562 -4.524 1.00 0.00 WT4 O ATOM 51293 H1 TIP3 7705 -7.414 -5.987 -2.744 1.00 0.00 WT4 H ATOM 51294 H2 TIP3 7705 -6.866 -1.009 2.788 1.00 0.00 WT4 H ATOM 51295 OH2 TIP3 7707 1.983 -0.340 -4.842 1.00 0.00 WT4 O ATOM 51296 H1 TIP3 7707 8.428 -1.382 -4.268 1.00 0.00 WT4 H ATOM 51297 H2 TIP3 7707 0.913 -8.791 -5.845 1.00 0.00 WT4 H ATOM 51298 OH2 TIP3 7708 -4.397 2.896 1.356 1.00 0.00 WT4 O ATOM 51299 H1 TIP3 7708 -8.296 -0.611 -1.377 1.00 0.00 WT4 H ATOM 51300 H2 TIP3 7708 -27.948 -1.914 0.621 1.00 0.00 WT4 H ATOM 51301 OH2 TIP3 7710 -0.143 3.366 1.236 1.00 0.00 WT4 O ATOM 51302 H1 TIP3 7710 -4.279 8.343 -4.520 1.00 0.00 WT4 H ATOM 51303 H2 TIP3 7710 -6.470 2.441 6.913 1.00 0.00 WT4 H ATOM 51304 OH2 TIP3 7712 -5.746 3.299 -1.096 1.00 0.00 WT4 O ATOM 51305 H1 TIP3 7712 -23.028 12.678 16.259 1.00 0.00 WT4 H ATOM 51306 H2 TIP3 7712 3.056 -27.712 31.322 1.00 0.00 WT4 H ATOM 51307 OH2 TIP3 7713 -0.565 -3.201 -0.131 1.00 0.00 WT4 O ATOM 51308 H1 TIP3 7713 -3.548 2.687 -1.749 1.00 0.00 WT4 H ATOM 51309 H2 TIP3 7713 -8.186 -8.722 2.023 1.00 0.00 WT4 H ATOM 51310 OH2 TIP3 7716 0.864 -2.435 -2.004 1.00 0.00 WT4 O ATOM 51311 H1 TIP3 7716 12.583 -11.042 2.589 1.00 0.00 WT4 H ATOM 51312 H2 TIP3 7716 2.689 -2.056 -4.546 1.00 0.00 WT4 H ATOM 51313 OH2 TIP3 7734 -4.026 1.630 3.472 1.00 0.00 WT4 O ATOM 51314 H1 TIP3 7734 -6.982 1.617 8.441 1.00 0.00 WT4 H ATOM 51315 H2 TIP3 7734 -3.508 -0.130 0.804 1.00 0.00 WT4 H ATOM 51316 OH2 TIP3 7735 -0.819 -0.836 -0.969 1.00 0.00 WT4 O ATOM 51317 H1 TIP3 7735 2.356 -10.488 15.771 1.00 0.00 WT4 H ATOM 51318 H2 TIP3 7735 -15.296 5.100 -8.457 1.00 0.00 WT4 H ATOM 51319 OH2 TIP3 7757 0.520 5.511 0.917 1.00 0.00 WT4 O ATOM 51320 H1 TIP3 7757 -0.757 -8.291 1.867 1.00 0.00 WT4 H ATOM 51321 H2 TIP3 7757 1.103 0.269 11.288 1.00 0.00 WT4 H ATOM 51322 OH2 TIP3 7791 3.284 -2.684 -1.864 1.00 0.00 WT4 O ATOM 51323 H1 TIP3 7791 16.884 5.472 3.815 1.00 0.00 WT4 H ATOM 51324 H2 TIP3 7791 5.980 -20.772 5.820 1.00 0.00 WT4 H ATOM 51325 OH2 TIP3 7872 -0.658 1.191 2.511 1.00 0.00 WT4 O ATOM 51326 H1 TIP3 7872 1.524 -25.435 8.026 1.00 0.00 WT4 H ATOM 51327 H2 TIP3 7872 3.301 12.708 4.098 1.00 0.00 WT4 H ATOM 51328 OH2 TIP3 7895 -5.984 -8.267 -3.768 1.00 0.00 WT4 O ATOM 51329 H1 TIP3 7895 -22.873 6.280 -5.148 1.00 0.00 WT4 H ATOM 51330 H2 TIP3 7895 9.816 -1.639 -17.738 1.00 0.00 WT4 H ATOM 51331 OH2 TIP3 7922 -7.616 4.320 -1.771 1.00 0.00 WT4 O ATOM 51332 H1 TIP3 7922 7.924 6.302 -21.997 1.00 0.00 WT4 H ATOM 51333 H2 TIP3 7922 -14.309 21.021 -5.158 1.00 0.00 WT4 H ATOM 51334 OH2 TIP3 7933 -4.636 -4.303 -6.909 1.00 0.00 WT4 O ATOM 51335 H1 TIP3 7933 8.675 1.957 -6.916 1.00 0.00 WT4 H ATOM 51336 H2 TIP3 7933 -7.146 -2.225 -3.704 1.00 0.00 WT4 H ATOM 51337 OH2 TIP3 7938 4.963 3.482 -3.617 1.00 0.00 WT4 O ATOM 51338 H1 TIP3 7938 2.262 -7.077 -9.360 1.00 0.00 WT4 H ATOM 51339 H2 TIP3 7938 14.595 11.455 -8.850 1.00 0.00 WT4 H ATOM 51340 OH2 TIP3 7939 0.345 0.222 -0.888 1.00 0.00 WT4 O ATOM 51341 H1 TIP3 7939 3.043 8.736 -10.841 1.00 0.00 WT4 H ATOM 51342 H2 TIP3 7939 14.128 1.734 23.902 1.00 0.00 WT4 H ATOM 51343 OH2 TIP3 7941 3.036 -7.115 0.033 1.00 0.00 WT4 O ATOM 51344 H1 TIP3 7941 -17.696 -0.094 14.997 1.00 0.00 WT4 H ATOM 51345 H2 TIP3 7941 -12.278 -1.293 3.013 1.00 0.00 WT4 H ATOM 51346 OH2 TIP3 7942 -6.850 4.600 -1.568 1.00 0.00 WT4 O ATOM 51347 H1 TIP3 7942 -4.001 18.969 -7.282 1.00 0.00 WT4 H ATOM 51348 H2 TIP3 7942 -2.146 7.795 12.916 1.00 0.00 WT4 H ATOM 51349 OH2 TIP3 7947 2.726 -2.165 2.169 1.00 0.00 WT4 O ATOM 51350 H1 TIP3 7947 1.446 3.199 6.629 1.00 0.00 WT4 H ATOM 51351 H2 TIP3 7947 0.610 8.986 3.520 1.00 0.00 WT4 H ATOM 51352 OH2 TIP3 7949 -6.015 -0.509 -4.476 1.00 0.00 WT4 O ATOM 51353 H1 TIP3 7949 -11.698 -34.018 20.777 1.00 0.00 WT4 H ATOM 51354 H2 TIP3 7949 10.501 6.150 29.108 1.00 0.00 WT4 H ATOM 51355 OH2 TIP3 7961 -2.238 -2.607 -6.620 1.00 0.00 WT4 O ATOM 51356 H1 TIP3 7961 -5.580 3.679 -10.132 1.00 0.00 WT4 H ATOM 51357 H2 TIP3 7961 14.083 -11.464 4.942 1.00 0.00 WT4 H ATOM 51358 OH2 TIP3 7962 -1.693 -0.375 2.014 1.00 0.00 WT4 O ATOM 51359 H1 TIP3 7962 10.492 -4.430 1.592 1.00 0.00 WT4 H ATOM 51360 H2 TIP3 7962 -9.543 -2.995 -4.903 1.00 0.00 WT4 H ATOM 51361 OH2 TIP3 7963 -4.647 -0.034 -4.259 1.00 0.00 WT4 O ATOM 51362 H1 TIP3 7963 -1.288 1.529 12.107 1.00 0.00 WT4 H ATOM 51363 H2 TIP3 7963 -1.140 -11.908 4.472 1.00 0.00 WT4 H ATOM 51364 OH2 TIP3 7964 4.760 -2.541 3.262 1.00 0.00 WT4 O ATOM 51365 H1 TIP3 7964 11.855 14.557 -4.451 1.00 0.00 WT4 H ATOM 51366 H2 TIP3 7964 19.285 5.564 -16.755 1.00 0.00 WT4 H ATOM 51367 OH2 TIP3 7965 -1.498 -2.747 -4.954 1.00 0.00 WT4 O ATOM 51368 H1 TIP3 7965 -10.672 -12.830 -22.626 1.00 0.00 WT4 H ATOM 51369 H2 TIP3 7965 -0.944 -11.169 -24.805 1.00 0.00 WT4 H ATOM 51370 OH2 TIP3 7967 1.911 -1.144 -5.145 1.00 0.00 WT4 O ATOM 51371 H1 TIP3 7967 -7.159 0.641 13.068 1.00 0.00 WT4 H ATOM 51372 H2 TIP3 7967 -5.272 10.904 -17.329 1.00 0.00 WT4 H ATOM 51373 OH2 TIP3 7969 -6.254 6.141 -2.501 1.00 0.00 WT4 O ATOM 51374 H1 TIP3 7969 -19.238 20.317 -8.799 1.00 0.00 WT4 H ATOM 51375 H2 TIP3 7969 -20.037 -13.819 9.064 1.00 0.00 WT4 H ATOM 51376 OH2 TIP3 7981 -2.791 -4.096 -2.203 1.00 0.00 WT4 O ATOM 51377 H1 TIP3 7981 -12.459 9.277 -17.970 1.00 0.00 WT4 H ATOM 51378 H2 TIP3 7981 -17.932 6.724 -24.354 1.00 0.00 WT4 H ATOM 51379 OH2 TIP3 7983 -0.582 -4.503 0.221 1.00 0.00 WT4 O ATOM 51380 H1 TIP3 7983 -1.302 -7.450 -2.267 1.00 0.00 WT4 H ATOM 51381 H2 TIP3 7983 -0.786 -3.732 -7.051 1.00 0.00 WT4 H ATOM 51382 OH2 TIP3 7984 -5.420 2.110 -3.097 1.00 0.00 WT4 O ATOM 51383 H1 TIP3 7984 2.543 -6.151 6.097 1.00 0.00 WT4 H ATOM 51384 H2 TIP3 7984 -11.164 11.488 -12.547 1.00 0.00 WT4 H ATOM 51385 OH2 TIP3 7985 -0.873 6.555 1.942 1.00 0.00 WT4 O ATOM 51386 H1 TIP3 7985 -22.817 -19.241 -3.594 1.00 0.00 WT4 H ATOM 51387 H2 TIP3 7985 18.464 -10.007 4.115 1.00 0.00 WT4 H ATOM 51388 OH2 TIP3 7986 -1.729 1.802 7.787 1.00 0.00 WT4 O ATOM 51389 H1 TIP3 7986 -9.877 -6.425 -1.902 1.00 0.00 WT4 H ATOM 51390 H2 TIP3 7986 14.110 1.645 9.930 1.00 0.00 WT4 H ATOM 51391 OH2 TIP3 7987 -1.223 5.363 -3.970 1.00 0.00 WT4 O ATOM 51392 H1 TIP3 7987 4.600 13.998 -7.906 1.00 0.00 WT4 H ATOM 51393 H2 TIP3 7987 8.458 8.162 16.506 1.00 0.00 WT4 H ATOM 51394 OH2 TIP3 8003 8.152 -5.777 4.825 1.00 0.00 WT4 O ATOM 51395 H1 TIP3 8003 1.816 -1.937 11.642 1.00 0.00 WT4 H ATOM 51396 H2 TIP3 8003 0.551 -4.448 4.230 1.00 0.00 WT4 H ATOM 51397 OH2 TIP3 8004 -2.022 -1.357 -1.565 1.00 0.00 WT4 O ATOM 51398 H1 TIP3 8004 4.355 2.178 2.071 1.00 0.00 WT4 H ATOM 51399 H2 TIP3 8004 11.551 -9.418 12.161 1.00 0.00 WT4 H ATOM 51400 OH2 TIP3 8005 0.983 -2.194 -3.748 1.00 0.00 WT4 O ATOM 51401 H1 TIP3 8005 22.318 11.844 -20.353 1.00 0.00 WT4 H ATOM 51402 H2 TIP3 8005 -14.464 3.963 2.026 1.00 0.00 WT4 H ATOM 51403 OH2 TIP3 8007 4.782 4.915 -1.322 1.00 0.00 WT4 O ATOM 51404 H1 TIP3 8007 15.068 -3.165 6.152 1.00 0.00 WT4 H ATOM 51405 H2 TIP3 8007 -16.165 7.754 7.594 1.00 0.00 WT4 H ATOM 51406 OH2 TIP3 8022 2.318 2.892 2.667 1.00 0.00 WT4 O ATOM 51407 H1 TIP3 8022 -4.856 -2.980 -4.515 1.00 0.00 WT4 H ATOM 51408 H2 TIP3 8022 -5.078 5.707 11.236 1.00 0.00 WT4 H ATOM 51409 OH2 TIP3 8024 -2.882 -1.466 2.601 1.00 0.00 WT4 O ATOM 51410 H1 TIP3 8024 -17.139 7.470 3.784 1.00 0.00 WT4 H ATOM 51411 H2 TIP3 8024 -8.436 -3.028 15.838 1.00 0.00 WT4 H ATOM 51412 OH2 TIP3 8027 0.768 -0.686 1.605 1.00 0.00 WT4 O ATOM 51413 H1 TIP3 8027 8.468 -4.782 14.450 1.00 0.00 WT4 H ATOM 51414 H2 TIP3 8027 -18.423 24.506 -16.465 1.00 0.00 WT4 H ATOM 51415 OH2 TIP3 8029 4.398 1.611 0.355 1.00 0.00 WT4 O ATOM 51416 H1 TIP3 8029 -10.493 -4.945 -3.288 1.00 0.00 WT4 H ATOM 51417 H2 TIP3 8029 -14.277 13.858 -6.546 1.00 0.00 WT4 H ATOM 51418 OH2 TIP3 8030 2.509 0.537 -6.041 1.00 0.00 WT4 O ATOM 51419 H1 TIP3 8030 8.139 2.875 18.064 1.00 0.00 WT4 H ATOM 51420 H2 TIP3 8030 7.326 -7.495 13.395 1.00 0.00 WT4 H ATOM 51421 OH2 TIP3 8040 1.098 -1.925 0.930 1.00 0.00 WT4 O ATOM 51422 H1 TIP3 8040 7.135 -11.137 -9.714 1.00 0.00 WT4 H ATOM 51423 H2 TIP3 8040 -4.654 1.171 18.179 1.00 0.00 WT4 H ATOM 51424 OH2 TIP3 8041 4.315 2.875 -2.941 1.00 0.00 WT4 O ATOM 51425 H1 TIP3 8041 1.795 4.600 -0.005 1.00 0.00 WT4 H ATOM 51426 H2 TIP3 8041 14.881 0.197 -22.098 1.00 0.00 WT4 H ATOM 51427 OH2 TIP3 8045 -0.405 -3.292 7.851 1.00 0.00 WT4 O ATOM 51428 H1 TIP3 8045 -17.167 16.432 34.217 1.00 0.00 WT4 H ATOM 51429 H2 TIP3 8045 3.729 -8.389 10.305 1.00 0.00 WT4 H ATOM 51430 OH2 TIP3 8046 -1.997 4.367 0.099 1.00 0.00 WT4 O ATOM 51431 H1 TIP3 8046 20.662 -0.142 -17.114 1.00 0.00 WT4 H ATOM 51432 H2 TIP3 8046 13.601 5.080 12.659 1.00 0.00 WT4 H ATOM 51433 OH2 TIP3 8047 3.290 -0.004 -6.964 1.00 0.00 WT4 O ATOM 51434 H1 TIP3 8047 2.150 6.587 -12.252 1.00 0.00 WT4 H ATOM 51435 H2 TIP3 8047 -2.038 -26.498 13.235 1.00 0.00 WT4 H ATOM 51436 OH2 TIP3 8052 -0.807 -0.098 4.096 1.00 0.00 WT4 O ATOM 51437 H1 TIP3 8052 -12.108 9.181 1.975 1.00 0.00 WT4 H ATOM 51438 H2 TIP3 8052 -15.937 24.666 -2.589 1.00 0.00 WT4 H ATOM 51439 OH2 TIP3 8063 -0.695 2.946 1.491 1.00 0.00 WT4 O ATOM 51440 H1 TIP3 8063 -14.653 15.526 -7.266 1.00 0.00 WT4 H ATOM 51441 H2 TIP3 8063 -4.952 8.807 -0.219 1.00 0.00 WT4 H ATOM 51442 OH2 TIP3 8064 4.706 0.918 -3.847 1.00 0.00 WT4 O ATOM 51443 H1 TIP3 8064 9.880 1.633 -3.629 1.00 0.00 WT4 H ATOM 51444 H2 TIP3 8064 -1.131 -2.069 -2.626 1.00 0.00 WT4 H ATOM 51445 OH2 TIP3 8067 4.162 5.108 0.034 1.00 0.00 WT4 O ATOM 51446 H1 TIP3 8067 27.029 26.694 3.218 1.00 0.00 WT4 H ATOM 51447 H2 TIP3 8067 6.213 8.463 -0.054 1.00 0.00 WT4 H ATOM 51448 OH2 TIP3 8068 7.186 -1.698 6.720 1.00 0.00 WT4 O ATOM 51449 H1 TIP3 8068 21.743 -24.129 7.311 1.00 0.00 WT4 H ATOM 51450 H2 TIP3 8068 26.639 14.992 8.856 1.00 0.00 WT4 H ATOM 51451 OH2 TIP3 8069 -1.032 1.217 -4.082 1.00 0.00 WT4 O ATOM 51452 H1 TIP3 8069 5.555 7.994 -2.895 1.00 0.00 WT4 H ATOM 51453 H2 TIP3 8069 0.108 1.352 5.079 1.00 0.00 WT4 H ATOM 51454 OH2 TIP3 8070 -1.317 -1.376 3.304 1.00 0.00 WT4 O ATOM 51455 H1 TIP3 8070 10.638 17.419 -14.769 1.00 0.00 WT4 H ATOM 51456 H2 TIP3 8070 -5.436 -11.689 11.204 1.00 0.00 WT4 H ATOM 51457 OH2 TIP3 8071 11.198 -2.856 -0.107 1.00 0.00 WT4 O ATOM 51458 H1 TIP3 8071 13.922 -1.407 8.858 1.00 0.00 WT4 H ATOM 51459 H2 TIP3 8071 5.575 3.651 5.870 1.00 0.00 WT4 H ATOM 51460 OH2 TIP3 8075 -3.975 -0.974 -3.657 1.00 0.00 WT4 O ATOM 51461 H1 TIP3 8075 29.180 -13.787 6.583 1.00 0.00 WT4 H ATOM 51462 H2 TIP3 8075 -0.640 12.340 -4.608 1.00 0.00 WT4 H ATOM 51463 OH2 TIP3 8084 -7.133 -6.462 5.250 1.00 0.00 WT4 O ATOM 51464 H1 TIP3 8084 19.560 14.379 30.891 1.00 0.00 WT4 H ATOM 51465 H2 TIP3 8084 -0.752 -11.612 -1.377 1.00 0.00 WT4 H ATOM 51466 OH2 TIP3 8085 0.013 -0.099 -1.035 1.00 0.00 WT4 O ATOM 51467 H1 TIP3 8085 -0.494 2.127 0.124 1.00 0.00 WT4 H ATOM 51468 H2 TIP3 8085 3.858 0.992 -5.924 1.00 0.00 WT4 H ATOM 51469 OH2 TIP3 8087 1.950 0.263 1.258 1.00 0.00 WT4 O ATOM 51470 H1 TIP3 8087 -8.472 12.413 7.938 1.00 0.00 WT4 H ATOM 51471 H2 TIP3 8087 -4.435 8.942 11.271 1.00 0.00 WT4 H ATOM 51472 OH2 TIP3 8088 5.019 4.882 -1.581 1.00 0.00 WT4 O ATOM 51473 H1 TIP3 8088 -3.084 11.038 3.023 1.00 0.00 WT4 H ATOM 51474 H2 TIP3 8088 -3.103 10.130 2.738 1.00 0.00 WT4 H ATOM 51475 OH2 TIP3 8089 -8.375 -7.326 -4.748 1.00 0.00 WT4 O ATOM 51476 H1 TIP3 8089 -10.819 -6.718 -14.009 1.00 0.00 WT4 H ATOM 51477 H2 TIP3 8089 -0.148 -14.120 17.493 1.00 0.00 WT4 H ATOM 51478 OH2 TIP3 8091 4.364 -1.811 -0.372 1.00 0.00 WT4 O ATOM 51479 H1 TIP3 8091 -1.842 8.019 -6.785 1.00 0.00 WT4 H ATOM 51480 H2 TIP3 8091 -1.137 -17.563 -6.041 1.00 0.00 WT4 H ATOM 51481 OH2 TIP3 8092 0.173 -1.530 3.215 1.00 0.00 WT4 O ATOM 51482 H1 TIP3 8092 4.236 10.225 -8.474 1.00 0.00 WT4 H ATOM 51483 H2 TIP3 8092 -2.419 0.995 19.155 1.00 0.00 WT4 H ATOM 51484 OH2 TIP3 8093 -3.884 -0.634 1.281 1.00 0.00 WT4 O ATOM 51485 H1 TIP3 8093 -29.290 8.369 11.500 1.00 0.00 WT4 H ATOM 51486 H2 TIP3 8093 -15.115 -1.333 -11.434 1.00 0.00 WT4 H ATOM 51487 OH2 TIP3 8095 2.214 -1.001 4.792 1.00 0.00 WT4 O ATOM 51488 H1 TIP3 8095 17.076 -4.637 -0.563 1.00 0.00 WT4 H ATOM 51489 H2 TIP3 8095 -0.002 -2.468 31.035 1.00 0.00 WT4 H ATOM 51490 OH2 TIP3 8096 3.183 -2.202 -0.910 1.00 0.00 WT4 O ATOM 51491 H1 TIP3 8096 -21.650 -10.614 2.014 1.00 0.00 WT4 H ATOM 51492 H2 TIP3 8096 -12.535 4.103 -8.534 1.00 0.00 WT4 H ATOM 51493 OH2 TIP3 8104 -0.841 1.145 -2.536 1.00 0.00 WT4 O ATOM 51494 H1 TIP3 8104 7.576 10.109 1.639 1.00 0.00 WT4 H ATOM 51495 H2 TIP3 8104 -5.208 -5.961 12.741 1.00 0.00 WT4 H ATOM 51496 OH2 TIP3 8106 0.304 3.462 0.656 1.00 0.00 WT4 O ATOM 51497 H1 TIP3 8106 -5.814 15.045 10.547 1.00 0.00 WT4 H ATOM 51498 H2 TIP3 8106 17.371 1.325 -3.890 1.00 0.00 WT4 H ATOM 51499 OH2 TIP3 8107 6.267 -7.012 -4.896 1.00 0.00 WT4 O ATOM 51500 H1 TIP3 8107 -10.239 -13.236 17.466 1.00 0.00 WT4 H ATOM 51501 H2 TIP3 8107 -15.690 28.329 -12.355 1.00 0.00 WT4 H ATOM 51502 OH2 TIP3 8109 1.286 -0.167 -1.075 1.00 0.00 WT4 O ATOM 51503 H1 TIP3 8109 -9.946 -11.287 -10.314 1.00 0.00 WT4 H ATOM 51504 H2 TIP3 8109 -2.367 -3.817 27.555 1.00 0.00 WT4 H ATOM 51505 OH2 TIP3 8110 0.986 -1.017 2.998 1.00 0.00 WT4 O ATOM 51506 H1 TIP3 8110 5.746 -13.383 -7.051 1.00 0.00 WT4 H ATOM 51507 H2 TIP3 8110 0.539 2.739 8.589 1.00 0.00 WT4 H ATOM 51508 OH2 TIP3 8111 1.533 -0.088 -0.956 1.00 0.00 WT4 O ATOM 51509 H1 TIP3 8111 -5.724 -8.524 -17.848 1.00 0.00 WT4 H ATOM 51510 H2 TIP3 8111 -20.789 -4.733 5.523 1.00 0.00 WT4 H ATOM 51511 OH2 TIP3 8112 -2.294 0.257 3.744 1.00 0.00 WT4 O ATOM 51512 H1 TIP3 8112 12.345 5.046 16.715 1.00 0.00 WT4 H ATOM 51513 H2 TIP3 8112 7.979 3.777 14.454 1.00 0.00 WT4 H ATOM 51514 OH2 TIP3 8113 0.199 -6.207 5.934 1.00 0.00 WT4 O ATOM 51515 H1 TIP3 8113 3.289 -23.850 16.589 1.00 0.00 WT4 H ATOM 51516 H2 TIP3 8113 0.472 -3.043 4.496 1.00 0.00 WT4 H ATOM 51517 OH2 TIP3 8114 -1.308 -0.473 -10.686 1.00 0.00 WT4 O ATOM 51518 H1 TIP3 8114 -12.750 -15.919 6.742 1.00 0.00 WT4 H ATOM 51519 H2 TIP3 8114 -10.422 -23.970 5.636 1.00 0.00 WT4 H ATOM 51520 OH2 TIP3 8129 -5.447 2.452 10.799 1.00 0.00 WT4 O ATOM 51521 H1 TIP3 8129 24.456 -7.349 13.851 1.00 0.00 WT4 H ATOM 51522 H2 TIP3 8129 8.431 -3.508 12.633 1.00 0.00 WT4 H ATOM 51523 OH2 TIP3 8135 -0.897 0.386 4.156 1.00 0.00 WT4 O ATOM 51524 H1 TIP3 8135 -0.717 -1.859 3.176 1.00 0.00 WT4 H ATOM 51525 H2 TIP3 8135 7.168 -7.905 0.209 1.00 0.00 WT4 H ATOM 51526 OH2 TIP3 8150 -7.297 -4.587 2.481 1.00 0.00 WT4 O ATOM 51527 H1 TIP3 8150 -7.421 -2.110 2.547 1.00 0.00 WT4 H ATOM 51528 H2 TIP3 8150 -6.975 0.061 3.639 1.00 0.00 WT4 H ATOM 51529 OH2 TIP3 8154 2.138 -4.252 -1.602 1.00 0.00 WT4 O ATOM 51530 H1 TIP3 8154 15.953 7.059 5.981 1.00 0.00 WT4 H ATOM 51531 H2 TIP3 8154 -0.455 -4.948 3.950 1.00 0.00 WT4 H ATOM 51532 OH2 TIP3 8155 -5.792 -4.182 1.573 1.00 0.00 WT4 O ATOM 51533 H1 TIP3 8155 -20.697 21.830 3.245 1.00 0.00 WT4 H ATOM 51534 H2 TIP3 8155 -8.081 -4.434 -0.900 1.00 0.00 WT4 H ATOM 51535 OH2 TIP3 8159 6.896 1.655 -1.582 1.00 0.00 WT4 O ATOM 51536 H1 TIP3 8159 -16.152 5.220 -2.048 1.00 0.00 WT4 H ATOM 51537 H2 TIP3 8159 6.393 -23.094 -3.707 1.00 0.00 WT4 H ATOM 51538 OH2 TIP3 8174 -1.876 -0.833 0.342 1.00 0.00 WT4 O ATOM 51539 H1 TIP3 8174 -8.665 -15.832 8.130 1.00 0.00 WT4 H ATOM 51540 H2 TIP3 8174 -34.504 23.515 -6.753 1.00 0.00 WT4 H ATOM 51541 OH2 TIP3 8178 0.049 -1.134 -3.393 1.00 0.00 WT4 O ATOM 51542 H1 TIP3 8178 12.972 -1.251 -10.719 1.00 0.00 WT4 H ATOM 51543 H2 TIP3 8178 5.662 18.238 -32.679 1.00 0.00 WT4 H ATOM 51544 OH2 TIP3 8219 1.826 -2.855 -4.245 1.00 0.00 WT4 O ATOM 51545 H1 TIP3 8219 -3.171 -1.712 -11.566 1.00 0.00 WT4 H ATOM 51546 H2 TIP3 8219 2.314 13.522 -2.942 1.00 0.00 WT4 H ATOM 51547 OH2 TIP3 8319 7.303 -4.711 -3.330 1.00 0.00 WT4 O ATOM 51548 H1 TIP3 8319 4.351 -5.495 -1.629 1.00 0.00 WT4 H ATOM 51549 H2 TIP3 8319 17.234 -9.148 0.925 1.00 0.00 WT4 H ATOM 51550 OH2 TIP3 8322 2.733 -4.918 -3.948 1.00 0.00 WT4 O ATOM 51551 H1 TIP3 8322 -1.582 -19.947 -7.620 1.00 0.00 WT4 H ATOM 51552 H2 TIP3 8322 20.544 -6.771 -4.149 1.00 0.00 WT4 H ATOM 51553 OH2 TIP3 8324 -2.758 -0.586 4.518 1.00 0.00 WT4 O ATOM 51554 H1 TIP3 8324 10.951 -8.147 0.119 1.00 0.00 WT4 H ATOM 51555 H2 TIP3 8324 7.040 0.038 -1.061 1.00 0.00 WT4 H ATOM 51556 OH2 TIP3 8339 8.029 -7.866 -3.143 1.00 0.00 WT4 O ATOM 51557 H1 TIP3 8339 4.829 -8.070 -5.005 1.00 0.00 WT4 H ATOM 51558 H2 TIP3 8339 10.727 -8.571 -6.911 1.00 0.00 WT4 H ATOM 51559 OH2 TIP3 8345 -1.322 7.839 -3.966 1.00 0.00 WT4 O ATOM 51560 H1 TIP3 8345 6.548 -11.173 -17.554 1.00 0.00 WT4 H ATOM 51561 H2 TIP3 8345 -30.421 -14.764 32.285 1.00 0.00 WT4 H ATOM 51562 OH2 TIP3 8364 -3.220 -4.787 -0.471 1.00 0.00 WT4 O ATOM 51563 H1 TIP3 8364 1.297 -3.300 -0.252 1.00 0.00 WT4 H ATOM 51564 H2 TIP3 8364 17.631 3.860 -2.936 1.00 0.00 WT4 H ATOM 51565 OH2 TIP3 8365 -0.089 2.655 -3.513 1.00 0.00 WT4 O ATOM 51566 H1 TIP3 8365 15.598 6.992 -11.669 1.00 0.00 WT4 H ATOM 51567 H2 TIP3 8365 -4.027 17.144 -5.825 1.00 0.00 WT4 H ATOM 51568 OH2 TIP3 8377 -0.725 -3.965 2.752 1.00 0.00 WT4 O ATOM 51569 H1 TIP3 8377 -9.206 -7.548 -13.451 1.00 0.00 WT4 H ATOM 51570 H2 TIP3 8377 4.681 5.952 17.963 1.00 0.00 WT4 H ATOM 51571 OH2 TIP3 8378 -5.990 0.394 3.437 1.00 0.00 WT4 O ATOM 51572 H1 TIP3 8378 -8.200 -12.632 -0.362 1.00 0.00 WT4 H ATOM 51573 H2 TIP3 8378 -6.961 -2.679 -0.384 1.00 0.00 WT4 H ATOM 51574 OH2 TIP3 8381 3.807 -1.676 4.806 1.00 0.00 WT4 O ATOM 51575 H1 TIP3 8381 8.576 -0.274 5.602 1.00 0.00 WT4 H ATOM 51576 H2 TIP3 8381 21.134 -0.369 7.551 1.00 0.00 WT4 H ATOM 51577 OH2 TIP3 8382 -0.041 0.332 -2.557 1.00 0.00 WT4 O ATOM 51578 H1 TIP3 8382 -5.010 5.893 -0.460 1.00 0.00 WT4 H ATOM 51579 H2 TIP3 8382 -2.328 -2.513 -11.190 1.00 0.00 WT4 H ATOM 51580 OH2 TIP3 8384 -5.546 5.027 1.744 1.00 0.00 WT4 O ATOM 51581 H1 TIP3 8384 12.189 8.016 -22.112 1.00 0.00 WT4 H ATOM 51582 H2 TIP3 8384 -13.208 13.347 -1.016 1.00 0.00 WT4 H ATOM 51583 OH2 TIP3 8386 -1.652 -7.401 -2.613 1.00 0.00 WT4 O ATOM 51584 H1 TIP3 8386 1.377 -10.734 -0.446 1.00 0.00 WT4 H ATOM 51585 H2 TIP3 8386 2.010 -6.068 -9.417 1.00 0.00 WT4 H ATOM 51586 OH2 TIP3 8388 1.069 -0.588 -0.244 1.00 0.00 WT4 O ATOM 51587 H1 TIP3 8388 12.667 -9.336 12.100 1.00 0.00 WT4 H ATOM 51588 H2 TIP3 8388 11.469 -19.839 30.490 1.00 0.00 WT4 H ATOM 51589 OH2 TIP3 8389 4.468 5.814 -9.897 1.00 0.00 WT4 O ATOM 51590 H1 TIP3 8389 -17.807 -0.365 21.459 1.00 0.00 WT4 H ATOM 51591 H2 TIP3 8389 -2.418 5.995 -5.029 1.00 0.00 WT4 H ATOM 51592 OH2 TIP3 8403 -0.295 1.776 0.084 1.00 0.00 WT4 O ATOM 51593 H1 TIP3 8403 -0.827 0.027 19.217 1.00 0.00 WT4 H ATOM 51594 H2 TIP3 8403 -6.742 0.597 1.243 1.00 0.00 WT4 H ATOM 51595 OH2 TIP3 8411 1.469 -0.027 0.586 1.00 0.00 WT4 O ATOM 51596 H1 TIP3 8411 4.041 8.789 -28.067 1.00 0.00 WT4 H ATOM 51597 H2 TIP3 8411 -12.922 -8.568 -10.532 1.00 0.00 WT4 H ATOM 51598 OH2 TIP3 8421 1.065 -1.154 -2.453 1.00 0.00 WT4 O ATOM 51599 H1 TIP3 8421 -22.250 -25.062 -15.867 1.00 0.00 WT4 H ATOM 51600 H2 TIP3 8421 1.286 -2.299 -2.220 1.00 0.00 WT4 H ATOM 51601 OH2 TIP3 8425 -8.103 -0.789 -0.340 1.00 0.00 WT4 O ATOM 51602 H1 TIP3 8425 3.051 18.614 -4.673 1.00 0.00 WT4 H ATOM 51603 H2 TIP3 8425 0.768 6.681 19.735 1.00 0.00 WT4 H ATOM 51604 OH2 TIP3 8427 0.177 1.998 -7.184 1.00 0.00 WT4 O ATOM 51605 H1 TIP3 8427 13.560 -4.145 -7.801 1.00 0.00 WT4 H ATOM 51606 H2 TIP3 8427 3.246 -6.541 -5.445 1.00 0.00 WT4 H ATOM 51607 OH2 TIP3 8428 3.677 -1.880 -1.398 1.00 0.00 WT4 O ATOM 51608 H1 TIP3 8428 22.440 7.802 14.071 1.00 0.00 WT4 H ATOM 51609 H2 TIP3 8428 5.739 -15.856 10.179 1.00 0.00 WT4 H ATOM 51610 OH2 TIP3 8431 -0.063 7.784 3.466 1.00 0.00 WT4 O ATOM 51611 H1 TIP3 8431 0.678 -2.559 9.259 1.00 0.00 WT4 H ATOM 51612 H2 TIP3 8431 0.937 9.805 8.370 1.00 0.00 WT4 H ATOM 51613 OH2 TIP3 8441 -1.281 0.725 3.696 1.00 0.00 WT4 O ATOM 51614 H1 TIP3 8441 6.800 -9.235 3.414 1.00 0.00 WT4 H ATOM 51615 H2 TIP3 8441 1.202 -4.988 11.607 1.00 0.00 WT4 H ATOM 51616 OH2 TIP3 8442 6.936 -6.784 2.881 1.00 0.00 WT4 O ATOM 51617 H1 TIP3 8442 11.148 8.136 2.190 1.00 0.00 WT4 H ATOM 51618 H2 TIP3 8442 -8.993 -1.922 -0.315 1.00 0.00 WT4 H ATOM 51619 OH2 TIP3 8444 1.154 4.008 -2.304 1.00 0.00 WT4 O ATOM 51620 H1 TIP3 8444 -4.682 -3.900 -10.134 1.00 0.00 WT4 H ATOM 51621 H2 TIP3 8444 3.175 6.736 0.562 1.00 0.00 WT4 H ATOM 51622 OH2 TIP3 8445 -0.281 4.811 -1.508 1.00 0.00 WT4 O ATOM 51623 H1 TIP3 8445 1.805 4.364 -0.069 1.00 0.00 WT4 H ATOM 51624 H2 TIP3 8445 15.281 -1.354 17.815 1.00 0.00 WT4 H ATOM 51625 OH2 TIP3 8446 -0.496 -3.411 -0.045 1.00 0.00 WT4 O ATOM 51626 H1 TIP3 8446 1.690 -4.046 4.346 1.00 0.00 WT4 H ATOM 51627 H2 TIP3 8446 -17.040 2.101 -6.380 1.00 0.00 WT4 H ATOM 51628 OH2 TIP3 8447 1.678 1.280 -8.149 1.00 0.00 WT4 O ATOM 51629 H1 TIP3 8447 5.108 2.934 -7.522 1.00 0.00 WT4 H ATOM 51630 H2 TIP3 8447 -5.378 -3.136 -5.725 1.00 0.00 WT4 H ATOM 51631 OH2 TIP3 8449 -11.640 -1.846 0.569 1.00 0.00 WT4 O ATOM 51632 H1 TIP3 8449 -3.101 6.264 -8.237 1.00 0.00 WT4 H ATOM 51633 H2 TIP3 8449 -5.279 3.050 -3.600 1.00 0.00 WT4 H ATOM 51634 OH2 TIP3 8455 -3.154 2.810 -2.694 1.00 0.00 WT4 O ATOM 51635 H1 TIP3 8455 4.172 -6.954 24.087 1.00 0.00 WT4 H ATOM 51636 H2 TIP3 8455 -1.110 -2.423 16.420 1.00 0.00 WT4 H ATOM 51637 OH2 TIP3 8462 -0.523 -4.794 -5.875 1.00 0.00 WT4 O ATOM 51638 H1 TIP3 8462 -30.835 11.551 -18.231 1.00 0.00 WT4 H ATOM 51639 H2 TIP3 8462 17.561 -6.918 -7.117 1.00 0.00 WT4 H ATOM 51640 OH2 TIP3 8463 -2.071 -1.828 -3.422 1.00 0.00 WT4 O ATOM 51641 H1 TIP3 8463 3.116 14.101 -0.497 1.00 0.00 WT4 H ATOM 51642 H2 TIP3 8463 -4.102 5.044 -19.894 1.00 0.00 WT4 H ATOM 51643 OH2 TIP3 8465 0.293 -2.748 0.578 1.00 0.00 WT4 O ATOM 51644 H1 TIP3 8465 -27.258 8.351 -4.425 1.00 0.00 WT4 H ATOM 51645 H2 TIP3 8465 13.892 -1.067 29.907 1.00 0.00 WT4 H ATOM 51646 OH2 TIP3 8466 3.547 2.097 -0.492 1.00 0.00 WT4 O ATOM 51647 H1 TIP3 8466 4.199 2.888 2.804 1.00 0.00 WT4 H ATOM 51648 H2 TIP3 8466 13.130 -14.734 2.170 1.00 0.00 WT4 H ATOM 51649 OH2 TIP3 8468 1.888 0.861 -0.321 1.00 0.00 WT4 O ATOM 51650 H1 TIP3 8468 -15.697 -1.110 9.313 1.00 0.00 WT4 H ATOM 51651 H2 TIP3 8468 22.215 -17.171 -5.002 1.00 0.00 WT4 H ATOM 51652 OH2 TIP3 8486 1.873 -5.707 -1.354 1.00 0.00 WT4 O ATOM 51653 H1 TIP3 8486 -0.104 8.145 -12.141 1.00 0.00 WT4 H ATOM 51654 H2 TIP3 8486 12.137 11.586 -3.549 1.00 0.00 WT4 H ATOM 51655 OH2 TIP3 8487 3.911 1.961 -1.667 1.00 0.00 WT4 O ATOM 51656 H1 TIP3 8487 3.549 -8.234 14.721 1.00 0.00 WT4 H ATOM 51657 H2 TIP3 8487 -4.755 -16.503 24.284 1.00 0.00 WT4 H ATOM 51658 OH2 TIP3 8489 1.774 -0.386 -3.810 1.00 0.00 WT4 O ATOM 51659 H1 TIP3 8489 12.630 13.455 -9.072 1.00 0.00 WT4 H ATOM 51660 H2 TIP3 8489 -6.622 -10.920 1.052 1.00 0.00 WT4 H ATOM 51661 OH2 TIP3 8490 1.342 -1.574 -1.246 1.00 0.00 WT4 O ATOM 51662 H1 TIP3 8490 11.077 -16.532 -11.664 1.00 0.00 WT4 H ATOM 51663 H2 TIP3 8490 2.358 -11.895 24.536 1.00 0.00 WT4 H ATOM 51664 OH2 TIP3 8505 -2.627 -3.433 1.423 1.00 0.00 WT4 O ATOM 51665 H1 TIP3 8505 -15.832 -4.815 4.856 1.00 0.00 WT4 H ATOM 51666 H2 TIP3 8505 -2.977 11.054 -3.884 1.00 0.00 WT4 H ATOM 51667 OH2 TIP3 8506 -2.484 -8.244 3.664 1.00 0.00 WT4 O ATOM 51668 H1 TIP3 8506 -10.635 9.858 -11.654 1.00 0.00 WT4 H ATOM 51669 H2 TIP3 8506 12.146 3.680 -5.998 1.00 0.00 WT4 H ATOM 51670 OH2 TIP3 8507 11.410 -3.992 0.033 1.00 0.00 WT4 O ATOM 51671 H1 TIP3 8507 6.085 -10.189 -4.797 1.00 0.00 WT4 H ATOM 51672 H2 TIP3 8507 9.833 5.467 10.356 1.00 0.00 WT4 H ATOM 51673 OH2 TIP3 8508 -2.814 -0.518 2.710 1.00 0.00 WT4 O ATOM 51674 H1 TIP3 8508 4.562 9.795 2.991 1.00 0.00 WT4 H ATOM 51675 H2 TIP3 8508 -1.358 1.388 0.526 1.00 0.00 WT4 H ATOM 51676 OH2 TIP3 8509 -0.586 2.330 -0.170 1.00 0.00 WT4 O ATOM 51677 H1 TIP3 8509 4.554 -5.838 20.415 1.00 0.00 WT4 H ATOM 51678 H2 TIP3 8509 -1.514 10.887 -0.537 1.00 0.00 WT4 H ATOM 51679 OH2 TIP3 8513 4.559 4.407 2.133 1.00 0.00 WT4 O ATOM 51680 H1 TIP3 8513 -18.090 9.121 10.917 1.00 0.00 WT4 H ATOM 51681 H2 TIP3 8513 1.397 -17.497 -15.203 1.00 0.00 WT4 H ATOM 51682 OH2 TIP3 8515 0.308 -0.938 -6.990 1.00 0.00 WT4 O ATOM 51683 H1 TIP3 8515 7.778 -3.210 5.633 1.00 0.00 WT4 H ATOM 51684 H2 TIP3 8515 2.353 10.967 13.044 1.00 0.00 WT4 H ATOM 51685 OH2 TIP3 8516 -1.257 0.489 8.285 1.00 0.00 WT4 O ATOM 51686 H1 TIP3 8516 2.499 4.925 16.463 1.00 0.00 WT4 H ATOM 51687 H2 TIP3 8516 -1.954 5.575 3.428 1.00 0.00 WT4 H ATOM 51688 OH2 TIP3 8528 -7.436 1.214 -2.953 1.00 0.00 WT4 O ATOM 51689 H1 TIP3 8528 4.005 0.201 -6.294 1.00 0.00 WT4 H ATOM 51690 H2 TIP3 8528 -0.982 1.835 -3.262 1.00 0.00 WT4 H ATOM 51691 OH2 TIP3 8529 2.083 -0.946 -0.863 1.00 0.00 WT4 O ATOM 51692 H1 TIP3 8529 3.888 -4.991 0.359 1.00 0.00 WT4 H ATOM 51693 H2 TIP3 8529 -10.592 -5.854 6.285 1.00 0.00 WT4 H ATOM 51694 OH2 TIP3 8530 2.418 -2.149 3.853 1.00 0.00 WT4 O ATOM 51695 H1 TIP3 8530 -21.171 6.270 13.643 1.00 0.00 WT4 H ATOM 51696 H2 TIP3 8530 -12.285 -8.840 8.897 1.00 0.00 WT4 H ATOM 51697 OH2 TIP3 8531 4.888 -3.188 1.641 1.00 0.00 WT4 O ATOM 51698 H1 TIP3 8531 0.301 -12.702 -0.893 1.00 0.00 WT4 H ATOM 51699 H2 TIP3 8531 -2.382 -9.997 17.664 1.00 0.00 WT4 H ATOM 51700 OH2 TIP3 8532 -2.424 4.358 -5.189 1.00 0.00 WT4 O ATOM 51701 H1 TIP3 8532 -6.406 -9.092 -8.340 1.00 0.00 WT4 H ATOM 51702 H2 TIP3 8532 7.262 12.115 -2.263 1.00 0.00 WT4 H ATOM 51703 OH2 TIP3 8534 -1.567 -0.526 1.153 1.00 0.00 WT4 O ATOM 51704 H1 TIP3 8534 0.900 -2.001 -3.320 1.00 0.00 WT4 H ATOM 51705 H2 TIP3 8534 10.995 -7.160 -7.672 1.00 0.00 WT4 H ATOM 51706 OH2 TIP3 8535 0.188 2.771 2.249 1.00 0.00 WT4 O ATOM 51707 H1 TIP3 8535 0.138 1.210 -16.332 1.00 0.00 WT4 H ATOM 51708 H2 TIP3 8535 1.388 7.764 8.925 1.00 0.00 WT4 H ATOM 51709 OH2 TIP3 8536 2.681 -0.693 -1.868 1.00 0.00 WT4 O ATOM 51710 H1 TIP3 8536 11.565 -17.850 6.995 1.00 0.00 WT4 H ATOM 51711 H2 TIP3 8536 3.430 -3.551 -1.575 1.00 0.00 WT4 H ATOM 51712 OH2 TIP3 8539 3.950 7.483 5.097 1.00 0.00 WT4 O ATOM 51713 H1 TIP3 8539 28.784 -13.305 9.266 1.00 0.00 WT4 H ATOM 51714 H2 TIP3 8539 1.484 15.214 2.280 1.00 0.00 WT4 H ATOM 51715 OH2 TIP3 8543 -1.137 -2.330 1.426 1.00 0.00 WT4 O ATOM 51716 H1 TIP3 8543 -5.266 -1.113 -12.913 1.00 0.00 WT4 H ATOM 51717 H2 TIP3 8543 -1.210 -1.497 -3.344 1.00 0.00 WT4 H ATOM 51718 OH2 TIP3 8548 3.331 -3.977 -0.260 1.00 0.00 WT4 O ATOM 51719 H1 TIP3 8548 8.027 -7.206 1.064 1.00 0.00 WT4 H ATOM 51720 H2 TIP3 8548 5.485 -0.543 -0.468 1.00 0.00 WT4 H ATOM 51721 OH2 TIP3 8549 0.103 2.972 -0.265 1.00 0.00 WT4 O ATOM 51722 H1 TIP3 8549 -5.460 -3.743 -12.693 1.00 0.00 WT4 H ATOM 51723 H2 TIP3 8549 -3.124 -4.971 15.069 1.00 0.00 WT4 H ATOM 51724 OH2 TIP3 8550 1.043 1.047 -2.335 1.00 0.00 WT4 O ATOM 51725 H1 TIP3 8550 1.721 -18.021 -15.046 1.00 0.00 WT4 H ATOM 51726 H2 TIP3 8550 -4.113 17.119 -7.263 1.00 0.00 WT4 H ATOM 51727 OH2 TIP3 8554 -2.552 1.517 3.622 1.00 0.00 WT4 O ATOM 51728 H1 TIP3 8554 -2.030 0.693 5.316 1.00 0.00 WT4 H ATOM 51729 H2 TIP3 8554 4.951 -2.491 10.976 1.00 0.00 WT4 H ATOM 51730 OH2 TIP3 8556 -1.920 -6.998 2.457 1.00 0.00 WT4 O ATOM 51731 H1 TIP3 8556 -4.894 -14.888 -19.623 1.00 0.00 WT4 H ATOM 51732 H2 TIP3 8556 18.990 12.796 2.846 1.00 0.00 WT4 H ATOM 51733 OH2 TIP3 8558 1.625 5.535 -2.305 1.00 0.00 WT4 O ATOM 51734 H1 TIP3 8558 -10.686 19.126 -8.448 1.00 0.00 WT4 H ATOM 51735 H2 TIP3 8558 -8.012 -6.739 8.615 1.00 0.00 WT4 H ATOM 51736 OH2 TIP3 8571 3.284 -4.361 -3.385 1.00 0.00 WT4 O ATOM 51737 H1 TIP3 8571 13.515 22.254 -14.787 1.00 0.00 WT4 H ATOM 51738 H2 TIP3 8571 7.877 3.861 5.010 1.00 0.00 WT4 H ATOM 51739 OH2 TIP3 8573 8.341 -0.010 3.514 1.00 0.00 WT4 O ATOM 51740 H1 TIP3 8573 14.092 11.359 13.294 1.00 0.00 WT4 H ATOM 51741 H2 TIP3 8573 6.559 -9.289 3.144 1.00 0.00 WT4 H ATOM 51742 OH2 TIP3 8574 -0.978 -5.860 3.042 1.00 0.00 WT4 O ATOM 51743 H1 TIP3 8574 10.154 5.284 -19.978 1.00 0.00 WT4 H ATOM 51744 H2 TIP3 8574 2.757 16.387 13.793 1.00 0.00 WT4 H ATOM 51745 OH2 TIP3 8590 2.147 11.146 -0.616 1.00 0.00 WT4 O ATOM 51746 H1 TIP3 8590 1.004 7.277 -1.165 1.00 0.00 WT4 H ATOM 51747 H2 TIP3 8590 -7.579 -22.325 -22.516 1.00 0.00 WT4 H ATOM 51748 OH2 TIP3 8594 5.409 2.028 -1.324 1.00 0.00 WT4 O ATOM 51749 H1 TIP3 8594 9.700 28.262 -4.774 1.00 0.00 WT4 H ATOM 51750 H2 TIP3 8594 25.911 -3.859 -12.955 1.00 0.00 WT4 H ATOM 51751 OH2 TIP3 8632 -5.971 -0.068 0.992 1.00 0.00 WT4 O ATOM 51752 H1 TIP3 8632 11.375 -3.660 1.595 1.00 0.00 WT4 H ATOM 51753 H2 TIP3 8632 1.502 -0.404 1.832 1.00 0.00 WT4 H ATOM 51754 OH2 TIP3 8638 -0.359 -2.665 -5.105 1.00 0.00 WT4 O ATOM 51755 H1 TIP3 8638 -12.162 12.731 -3.839 1.00 0.00 WT4 H ATOM 51756 H2 TIP3 8638 -10.121 -13.448 -10.683 1.00 0.00 WT4 H ATOM 51757 OH2 TIP3 8640 0.901 -0.830 -1.928 1.00 0.00 WT4 O ATOM 51758 H1 TIP3 8640 -24.621 10.567 12.292 1.00 0.00 WT4 H ATOM 51759 H2 TIP3 8640 -3.711 2.052 0.445 1.00 0.00 WT4 H ATOM 51760 OH2 TIP3 8760 -0.589 -2.387 5.029 1.00 0.00 WT4 O ATOM 51761 H1 TIP3 8760 6.417 13.224 5.274 1.00 0.00 WT4 H ATOM 51762 H2 TIP3 8760 -3.844 -8.471 11.684 1.00 0.00 WT4 H ATOM 51763 OH2 TIP3 8777 -4.832 -4.762 3.386 1.00 0.00 WT4 O ATOM 51764 H1 TIP3 8777 -5.772 -8.754 8.524 1.00 0.00 WT4 H ATOM 51765 H2 TIP3 8777 -15.388 7.623 10.969 1.00 0.00 WT4 H ATOM 51766 OH2 TIP3 8780 3.678 -1.827 -5.701 1.00 0.00 WT4 O ATOM 51767 H1 TIP3 8780 20.444 -12.583 -3.230 1.00 0.00 WT4 H ATOM 51768 H2 TIP3 8780 25.521 -8.651 6.743 1.00 0.00 WT4 H ATOM 51769 OH2 TIP3 8790 3.768 -3.223 0.346 1.00 0.00 WT4 O ATOM 51770 H1 TIP3 8790 3.665 -18.586 -1.308 1.00 0.00 WT4 H ATOM 51771 H2 TIP3 8790 12.191 -0.689 -6.458 1.00 0.00 WT4 H ATOM 51772 OH2 TIP3 8801 1.528 1.590 0.492 1.00 0.00 WT4 O ATOM 51773 H1 TIP3 8801 9.684 1.258 -13.637 1.00 0.00 WT4 H ATOM 51774 H2 TIP3 8801 4.086 5.168 -2.466 1.00 0.00 WT4 H ATOM 51775 OH2 TIP3 8802 1.550 2.401 -1.575 1.00 0.00 WT4 O ATOM 51776 H1 TIP3 8802 11.615 7.948 -14.170 1.00 0.00 WT4 H ATOM 51777 H2 TIP3 8802 7.829 -4.517 7.018 1.00 0.00 WT4 H ATOM 51778 OH2 TIP3 8803 2.504 5.781 -0.465 1.00 0.00 WT4 O ATOM 51779 H1 TIP3 8803 -5.244 24.105 6.134 1.00 0.00 WT4 H ATOM 51780 H2 TIP3 8803 19.144 -20.793 -8.154 1.00 0.00 WT4 H ATOM 51781 OH2 TIP3 8807 8.602 -2.409 -3.046 1.00 0.00 WT4 O ATOM 51782 H1 TIP3 8807 8.149 15.819 11.873 1.00 0.00 WT4 H ATOM 51783 H2 TIP3 8807 3.646 -2.412 3.158 1.00 0.00 WT4 H ATOM 51784 OH2 TIP3 8820 -6.630 6.415 -2.063 1.00 0.00 WT4 O ATOM 51785 H1 TIP3 8820 6.586 -14.029 -7.732 1.00 0.00 WT4 H ATOM 51786 H2 TIP3 8820 -3.802 0.793 -1.834 1.00 0.00 WT4 H ATOM 51787 OH2 TIP3 8822 -1.113 -0.325 1.007 1.00 0.00 WT4 O ATOM 51788 H1 TIP3 8822 3.387 -12.382 -10.075 1.00 0.00 WT4 H ATOM 51789 H2 TIP3 8822 7.151 -4.395 15.604 1.00 0.00 WT4 H ATOM 51790 OH2 TIP3 8823 -4.137 5.452 -5.499 1.00 0.00 WT4 O ATOM 51791 H1 TIP3 8823 -10.243 10.888 8.904 1.00 0.00 WT4 H ATOM 51792 H2 TIP3 8823 -6.207 1.418 -11.678 1.00 0.00 WT4 H ATOM 51793 OH2 TIP3 8829 2.284 3.794 -1.266 1.00 0.00 WT4 O ATOM 51794 H1 TIP3 8829 -2.173 -1.207 -8.525 1.00 0.00 WT4 H ATOM 51795 H2 TIP3 8829 2.545 12.000 -11.630 1.00 0.00 WT4 H ATOM 51796 OH2 TIP3 8830 -6.478 1.860 3.834 1.00 0.00 WT4 O ATOM 51797 H1 TIP3 8830 14.091 0.013 -4.129 1.00 0.00 WT4 H ATOM 51798 H2 TIP3 8830 -18.367 17.517 -12.509 1.00 0.00 WT4 H ATOM 51799 OH2 TIP3 8842 1.807 0.852 1.365 1.00 0.00 WT4 O ATOM 51800 H1 TIP3 8842 -10.953 23.737 -1.292 1.00 0.00 WT4 H ATOM 51801 H2 TIP3 8842 15.722 13.795 -3.844 1.00 0.00 WT4 H ATOM 51802 OH2 TIP3 8843 -1.031 -6.708 -7.323 1.00 0.00 WT4 O ATOM 51803 H1 TIP3 8843 -12.577 -6.919 9.419 1.00 0.00 WT4 H ATOM 51804 H2 TIP3 8843 -13.224 5.841 -16.512 1.00 0.00 WT4 H ATOM 51805 OH2 TIP3 8844 -3.348 0.669 1.768 1.00 0.00 WT4 O ATOM 51806 H1 TIP3 8844 -0.571 -1.201 21.942 1.00 0.00 WT4 H ATOM 51807 H2 TIP3 8844 -3.644 -19.772 -4.795 1.00 0.00 WT4 H ATOM 51808 OH2 TIP3 8845 2.941 4.260 -1.781 1.00 0.00 WT4 O ATOM 51809 H1 TIP3 8845 -5.031 -0.949 -12.462 1.00 0.00 WT4 H ATOM 51810 H2 TIP3 8845 2.188 1.864 6.252 1.00 0.00 WT4 H ATOM 51811 OH2 TIP3 8846 3.770 0.812 5.141 1.00 0.00 WT4 O ATOM 51812 H1 TIP3 8846 4.112 -1.131 -0.019 1.00 0.00 WT4 H ATOM 51813 H2 TIP3 8846 13.112 -2.800 11.275 1.00 0.00 WT4 H ATOM 51814 OH2 TIP3 8847 -0.866 3.729 3.124 1.00 0.00 WT4 O ATOM 51815 H1 TIP3 8847 19.017 -7.901 -8.942 1.00 0.00 WT4 H ATOM 51816 H2 TIP3 8847 0.827 6.099 -11.896 1.00 0.00 WT4 H ATOM 51817 OH2 TIP3 8849 -2.595 -4.893 -3.176 1.00 0.00 WT4 O ATOM 51818 H1 TIP3 8849 -1.847 -3.048 -0.318 1.00 0.00 WT4 H ATOM 51819 H2 TIP3 8849 6.427 -12.795 -2.979 1.00 0.00 WT4 H ATOM 51820 OH2 TIP3 8863 -8.654 5.084 7.028 1.00 0.00 WT4 O ATOM 51821 H1 TIP3 8863 2.862 -11.152 25.180 1.00 0.00 WT4 H ATOM 51822 H2 TIP3 8863 0.240 -4.865 -16.805 1.00 0.00 WT4 H ATOM 51823 OH2 TIP3 8865 5.136 1.803 3.429 1.00 0.00 WT4 O ATOM 51824 H1 TIP3 8865 7.701 -17.460 12.376 1.00 0.00 WT4 H ATOM 51825 H2 TIP3 8865 7.974 10.768 1.692 1.00 0.00 WT4 H ATOM 51826 OH2 TIP3 8866 -1.347 4.200 -4.500 1.00 0.00 WT4 O ATOM 51827 H1 TIP3 8866 -3.704 -5.354 14.656 1.00 0.00 WT4 H ATOM 51828 H2 TIP3 8866 19.431 -0.920 -16.140 1.00 0.00 WT4 H ATOM 51829 OH2 TIP3 8867 4.580 0.058 3.355 1.00 0.00 WT4 O ATOM 51830 H1 TIP3 8867 8.205 -11.156 18.526 1.00 0.00 WT4 H ATOM 51831 H2 TIP3 8867 -3.316 18.423 -15.229 1.00 0.00 WT4 H ATOM 51832 OH2 TIP3 8869 -4.609 -2.018 -7.902 1.00 0.00 WT4 O ATOM 51833 H1 TIP3 8869 -9.419 -12.386 10.213 1.00 0.00 WT4 H ATOM 51834 H2 TIP3 8869 -6.982 9.524 -8.640 1.00 0.00 WT4 H ATOM 51835 OH2 TIP3 8883 2.793 -0.854 -10.438 1.00 0.00 WT4 O ATOM 51836 H1 TIP3 8883 8.127 -1.032 6.075 1.00 0.00 WT4 H ATOM 51837 H2 TIP3 8883 23.515 -11.546 -6.021 1.00 0.00 WT4 H ATOM 51838 OH2 TIP3 8884 4.325 -1.006 -1.026 1.00 0.00 WT4 O ATOM 51839 H1 TIP3 8884 14.221 17.697 11.762 1.00 0.00 WT4 H ATOM 51840 H2 TIP3 8884 -15.332 -4.296 33.806 1.00 0.00 WT4 H ATOM 51841 OH2 TIP3 8885 3.389 3.888 3.436 1.00 0.00 WT4 O ATOM 51842 H1 TIP3 8885 8.199 -3.714 6.644 1.00 0.00 WT4 H ATOM 51843 H2 TIP3 8885 0.417 -1.734 -8.364 1.00 0.00 WT4 H ATOM 51844 OH2 TIP3 8886 -1.728 2.781 2.934 1.00 0.00 WT4 O ATOM 51845 H1 TIP3 8886 -0.982 2.972 6.620 1.00 0.00 WT4 H ATOM 51846 H2 TIP3 8886 -10.639 6.813 3.658 1.00 0.00 WT4 H ATOM 51847 OH2 TIP3 8887 1.818 4.480 6.380 1.00 0.00 WT4 O ATOM 51848 H1 TIP3 8887 18.533 4.918 11.898 1.00 0.00 WT4 H ATOM 51849 H2 TIP3 8887 18.497 -10.496 -20.603 1.00 0.00 WT4 H ATOM 51850 OH2 TIP3 8901 1.649 -4.812 0.803 1.00 0.00 WT4 O ATOM 51851 H1 TIP3 8901 3.522 -0.949 8.105 1.00 0.00 WT4 H ATOM 51852 H2 TIP3 8901 -8.478 -17.862 1.346 1.00 0.00 WT4 H ATOM 51853 OH2 TIP3 8903 -1.904 1.600 5.976 1.00 0.00 WT4 O ATOM 51854 H1 TIP3 8903 0.889 -11.611 -25.032 1.00 0.00 WT4 H ATOM 51855 H2 TIP3 8903 -1.581 0.878 1.303 1.00 0.00 WT4 H ATOM 51856 OH2 TIP3 8905 -4.110 8.091 1.191 1.00 0.00 WT4 O ATOM 51857 H1 TIP3 8905 16.469 24.498 -8.163 1.00 0.00 WT4 H ATOM 51858 H2 TIP3 8905 -11.791 15.599 28.217 1.00 0.00 WT4 H ATOM 51859 OH2 TIP3 8907 3.235 -3.198 -0.014 1.00 0.00 WT4 O ATOM 51860 H1 TIP3 8907 -5.062 -11.565 9.600 1.00 0.00 WT4 H ATOM 51861 H2 TIP3 8907 -3.921 7.394 -6.540 1.00 0.00 WT4 H ATOM 51862 OH2 TIP3 8911 8.058 -1.476 -2.419 1.00 0.00 WT4 O ATOM 51863 H1 TIP3 8911 20.670 -4.201 -3.423 1.00 0.00 WT4 H ATOM 51864 H2 TIP3 8911 -0.299 -15.274 -19.167 1.00 0.00 WT4 H ATOM 51865 OH2 TIP3 8913 4.103 -6.128 -2.122 1.00 0.00 WT4 O ATOM 51866 H1 TIP3 8913 -5.249 23.926 3.399 1.00 0.00 WT4 H ATOM 51867 H2 TIP3 8913 -1.797 15.440 -1.836 1.00 0.00 WT4 H ATOM 51868 OH2 TIP3 8914 -4.347 -1.387 0.768 1.00 0.00 WT4 O ATOM 51869 H1 TIP3 8914 15.006 9.849 14.549 1.00 0.00 WT4 H ATOM 51870 H2 TIP3 8914 0.556 3.757 18.793 1.00 0.00 WT4 H ATOM 51871 OH2 TIP3 8925 -0.746 -0.658 0.205 1.00 0.00 WT4 O ATOM 51872 H1 TIP3 8925 0.542 4.317 -11.764 1.00 0.00 WT4 H ATOM 51873 H2 TIP3 8925 10.348 -2.053 -14.368 1.00 0.00 WT4 H ATOM 51874 OH2 TIP3 8926 -0.011 -1.111 -0.202 1.00 0.00 WT4 O ATOM 51875 H1 TIP3 8926 12.648 -1.458 -6.367 1.00 0.00 WT4 H ATOM 51876 H2 TIP3 8926 -9.431 -5.716 -7.295 1.00 0.00 WT4 H ATOM 51877 OH2 TIP3 8927 -2.313 -0.613 5.282 1.00 0.00 WT4 O ATOM 51878 H1 TIP3 8927 -9.692 -4.730 5.817 1.00 0.00 WT4 H ATOM 51879 H2 TIP3 8927 2.114 0.809 5.161 1.00 0.00 WT4 H ATOM 51880 OH2 TIP3 8929 4.233 3.972 0.871 1.00 0.00 WT4 O ATOM 51881 H1 TIP3 8929 -0.615 -9.213 -4.915 1.00 0.00 WT4 H ATOM 51882 H2 TIP3 8929 1.881 -1.141 1.894 1.00 0.00 WT4 H ATOM 51883 OH2 TIP3 8930 0.688 -0.282 1.279 1.00 0.00 WT4 O ATOM 51884 H1 TIP3 8930 8.975 13.908 9.469 1.00 0.00 WT4 H ATOM 51885 H2 TIP3 8930 -3.127 -6.935 1.020 1.00 0.00 WT4 H ATOM 51886 OH2 TIP3 8931 -4.783 -2.661 0.820 1.00 0.00 WT4 O ATOM 51887 H1 TIP3 8931 -4.082 -2.384 -2.244 1.00 0.00 WT4 H ATOM 51888 H2 TIP3 8931 -8.239 -3.296 -2.528 1.00 0.00 WT4 H ATOM 51889 OH2 TIP3 8932 1.160 0.234 7.295 1.00 0.00 WT4 O ATOM 51890 H1 TIP3 8932 -9.783 8.317 11.468 1.00 0.00 WT4 H ATOM 51891 H2 TIP3 8932 -8.890 -10.428 -1.259 1.00 0.00 WT4 H ATOM 51892 OH2 TIP3 8935 -1.450 -7.445 0.357 1.00 0.00 WT4 O ATOM 51893 H1 TIP3 8935 13.815 9.196 5.434 1.00 0.00 WT4 H ATOM 51894 H2 TIP3 8935 6.568 -6.487 -5.233 1.00 0.00 WT4 H ATOM 51895 OH2 TIP3 8944 2.650 -3.151 -3.595 1.00 0.00 WT4 O ATOM 51896 H1 TIP3 8944 1.309 -2.557 -3.368 1.00 0.00 WT4 H ATOM 51897 H2 TIP3 8944 5.408 7.792 -19.436 1.00 0.00 WT4 H ATOM 51898 OH2 TIP3 8949 2.524 -2.571 -1.684 1.00 0.00 WT4 O ATOM 51899 H1 TIP3 8949 -7.697 -10.549 -5.451 1.00 0.00 WT4 H ATOM 51900 H2 TIP3 8949 -3.978 15.671 3.219 1.00 0.00 WT4 H ATOM 51901 OH2 TIP3 8951 5.905 0.505 10.461 1.00 0.00 WT4 O ATOM 51902 H1 TIP3 8951 6.415 14.395 7.288 1.00 0.00 WT4 H ATOM 51903 H2 TIP3 8951 -0.371 -20.746 10.193 1.00 0.00 WT4 H ATOM 51904 OH2 TIP3 8953 0.385 1.257 -0.399 1.00 0.00 WT4 O ATOM 51905 H1 TIP3 8953 16.604 16.887 -5.806 1.00 0.00 WT4 H ATOM 51906 H2 TIP3 8953 -9.932 3.934 -15.808 1.00 0.00 WT4 H ATOM 51907 OH2 TIP3 8954 2.278 2.392 -1.577 1.00 0.00 WT4 O ATOM 51908 H1 TIP3 8954 1.389 -8.929 -4.013 1.00 0.00 WT4 H ATOM 51909 H2 TIP3 8954 2.008 7.959 8.155 1.00 0.00 WT4 H ATOM 51910 OH2 TIP3 8969 -0.271 5.622 3.174 1.00 0.00 WT4 O ATOM 51911 H1 TIP3 8969 6.694 21.275 -11.632 1.00 0.00 WT4 H ATOM 51912 H2 TIP3 8969 3.570 -14.309 -8.137 1.00 0.00 WT4 H ATOM 51913 OH2 TIP3 8970 0.277 6.074 1.776 1.00 0.00 WT4 O ATOM 51914 H1 TIP3 8970 8.420 7.210 11.389 1.00 0.00 WT4 H ATOM 51915 H2 TIP3 8970 1.704 -8.580 -2.102 1.00 0.00 WT4 H ATOM 51916 OH2 TIP3 8972 -0.205 -1.783 4.555 1.00 0.00 WT4 O ATOM 51917 H1 TIP3 8972 7.633 -7.192 -2.375 1.00 0.00 WT4 H ATOM 51918 H2 TIP3 8972 12.259 -4.054 2.398 1.00 0.00 WT4 H ATOM 51919 OH2 TIP3 8973 0.323 -2.042 0.502 1.00 0.00 WT4 O ATOM 51920 H1 TIP3 8973 12.461 15.268 5.112 1.00 0.00 WT4 H ATOM 51921 H2 TIP3 8973 -12.960 -3.092 6.791 1.00 0.00 WT4 H ATOM 51922 OH2 TIP3 8974 -3.192 -3.083 2.368 1.00 0.00 WT4 O ATOM 51923 H1 TIP3 8974 3.335 -9.177 13.077 1.00 0.00 WT4 H ATOM 51924 H2 TIP3 8974 2.425 -11.593 -5.784 1.00 0.00 WT4 H ATOM 51925 OH2 TIP3 8975 4.513 2.747 4.100 1.00 0.00 WT4 O ATOM 51926 H1 TIP3 8975 21.514 24.008 15.045 1.00 0.00 WT4 H ATOM 51927 H2 TIP3 8975 6.291 -4.544 29.948 1.00 0.00 WT4 H ATOM 51928 OH2 TIP3 8976 0.527 -4.056 0.290 1.00 0.00 WT4 O ATOM 51929 H1 TIP3 8976 -12.860 -16.274 25.828 1.00 0.00 WT4 H ATOM 51930 H2 TIP3 8976 16.683 21.519 10.897 1.00 0.00 WT4 H ATOM 51931 OH2 TIP3 8977 -6.299 -1.170 -1.793 1.00 0.00 WT4 O ATOM 51932 H1 TIP3 8977 -2.651 1.867 7.015 1.00 0.00 WT4 H ATOM 51933 H2 TIP3 8977 3.097 8.112 -1.911 1.00 0.00 WT4 H ATOM 51934 OH2 TIP3 8978 0.562 1.364 4.256 1.00 0.00 WT4 O ATOM 51935 H1 TIP3 8978 -1.378 -5.830 6.243 1.00 0.00 WT4 H ATOM 51936 H2 TIP3 8978 2.512 4.597 2.810 1.00 0.00 WT4 H ATOM 51937 OH2 TIP3 8988 -1.342 9.562 3.944 1.00 0.00 WT4 O ATOM 51938 H1 TIP3 8988 13.240 -2.995 10.270 1.00 0.00 WT4 H ATOM 51939 H2 TIP3 8988 -5.917 6.580 -13.562 1.00 0.00 WT4 H ATOM 51940 OH2 TIP3 8992 1.188 3.979 0.466 1.00 0.00 WT4 O ATOM 51941 H1 TIP3 8992 7.977 -3.037 -2.531 1.00 0.00 WT4 H ATOM 51942 H2 TIP3 8992 1.722 4.385 0.339 1.00 0.00 WT4 H ATOM 51943 OH2 TIP3 8995 1.370 -0.327 0.830 1.00 0.00 WT4 O ATOM 51944 H1 TIP3 8995 -1.586 12.024 -1.793 1.00 0.00 WT4 H ATOM 51945 H2 TIP3 8995 0.217 -8.686 -6.516 1.00 0.00 WT4 H ATOM 51946 OH2 TIP3 8996 2.585 0.910 -9.413 1.00 0.00 WT4 O ATOM 51947 H1 TIP3 8996 -3.389 1.777 -7.154 1.00 0.00 WT4 H ATOM 51948 H2 TIP3 8996 5.461 -8.335 3.153 1.00 0.00 WT4 H ATOM 51949 OH2 TIP3 8997 0.370 -2.263 6.399 1.00 0.00 WT4 O ATOM 51950 H1 TIP3 8997 13.112 -6.992 24.088 1.00 0.00 WT4 H ATOM 51951 H2 TIP3 8997 -4.659 0.006 4.028 1.00 0.00 WT4 H ATOM 51952 OH2 TIP3 9008 4.261 5.566 1.299 1.00 0.00 WT4 O ATOM 51953 H1 TIP3 9008 -5.172 -4.016 -14.207 1.00 0.00 WT4 H ATOM 51954 H2 TIP3 9008 -0.675 5.869 10.042 1.00 0.00 WT4 H ATOM 51955 OH2 TIP3 9009 -2.951 -1.681 1.302 1.00 0.00 WT4 O ATOM 51956 H1 TIP3 9009 3.881 8.417 -5.958 1.00 0.00 WT4 H ATOM 51957 H2 TIP3 9009 1.288 -3.552 12.867 1.00 0.00 WT4 H ATOM 51958 OH2 TIP3 9014 3.128 -1.670 -5.862 1.00 0.00 WT4 O ATOM 51959 H1 TIP3 9014 7.984 8.174 7.240 1.00 0.00 WT4 H ATOM 51960 H2 TIP3 9014 11.377 8.316 3.626 1.00 0.00 WT4 H ATOM 51961 OH2 TIP3 9015 -7.459 7.710 0.169 1.00 0.00 WT4 O ATOM 51962 H1 TIP3 9015 -7.364 16.946 5.600 1.00 0.00 WT4 H ATOM 51963 H2 TIP3 9015 7.891 -0.506 22.428 1.00 0.00 WT4 H ATOM 51964 OH2 TIP3 9019 0.065 -0.179 1.099 1.00 0.00 WT4 O ATOM 51965 H1 TIP3 9019 -15.444 4.763 -23.176 1.00 0.00 WT4 H ATOM 51966 H2 TIP3 9019 -11.003 -0.342 -17.964 1.00 0.00 WT4 H ATOM 51967 OH2 TIP3 9024 5.561 1.963 -4.072 1.00 0.00 WT4 O ATOM 51968 H1 TIP3 9024 -2.491 -0.632 12.860 1.00 0.00 WT4 H ATOM 51969 H2 TIP3 9024 7.933 1.642 -5.716 1.00 0.00 WT4 H ATOM 51970 OH2 TIP3 9039 1.309 -1.831 3.828 1.00 0.00 WT4 O ATOM 51971 H1 TIP3 9039 -9.827 0.304 0.724 1.00 0.00 WT4 H ATOM 51972 H2 TIP3 9039 -13.819 12.546 10.551 1.00 0.00 WT4 H ATOM 51973 OH2 TIP3 9047 2.556 3.016 1.621 1.00 0.00 WT4 O ATOM 51974 H1 TIP3 9047 -8.805 4.425 21.708 1.00 0.00 WT4 H ATOM 51975 H2 TIP3 9047 10.384 10.798 -17.741 1.00 0.00 WT4 H ATOM 51976 OH2 TIP3 9054 -2.992 4.524 1.326 1.00 0.00 WT4 O ATOM 51977 H1 TIP3 9054 -2.849 -12.879 4.895 1.00 0.00 WT4 H ATOM 51978 H2 TIP3 9054 -19.447 -6.439 1.155 1.00 0.00 WT4 H ATOM 51979 OH2 TIP3 9055 -2.261 4.063 6.570 1.00 0.00 WT4 O ATOM 51980 H1 TIP3 9055 -8.891 10.499 1.550 1.00 0.00 WT4 H ATOM 51981 H2 TIP3 9055 -5.326 -19.596 0.356 1.00 0.00 WT4 H ATOM 51982 OH2 TIP3 9060 1.992 -0.185 2.553 1.00 0.00 WT4 O ATOM 51983 H1 TIP3 9060 10.842 -3.409 17.012 1.00 0.00 WT4 H ATOM 51984 H2 TIP3 9060 -10.697 -25.201 19.054 1.00 0.00 WT4 H ATOM 51985 OH2 TIP3 9072 -0.704 -4.006 -3.476 1.00 0.00 WT4 O ATOM 51986 H1 TIP3 9072 2.143 -13.092 4.876 1.00 0.00 WT4 H ATOM 51987 H2 TIP3 9072 14.240 7.359 12.293 1.00 0.00 WT4 H ATOM 51988 OH2 TIP3 9082 -1.676 2.948 -0.755 1.00 0.00 WT4 O ATOM 51989 H1 TIP3 9082 9.135 -5.832 -12.833 1.00 0.00 WT4 H ATOM 51990 H2 TIP3 9082 10.500 -3.651 -16.319 1.00 0.00 WT4 H ATOM 51991 OH2 TIP3 9094 2.174 -2.453 -4.923 1.00 0.00 WT4 O ATOM 51992 H1 TIP3 9094 13.065 -3.107 9.364 1.00 0.00 WT4 H ATOM 51993 H2 TIP3 9094 11.424 -2.591 8.043 1.00 0.00 WT4 H ATOM 51994 OH2 TIP3 9096 -3.897 0.493 -0.636 1.00 0.00 WT4 O ATOM 51995 H1 TIP3 9096 -7.034 4.918 29.859 1.00 0.00 WT4 H ATOM 51996 H2 TIP3 9096 -25.984 11.527 -20.345 1.00 0.00 WT4 H ATOM 51997 OH2 TIP3 9117 0.390 0.827 1.924 1.00 0.00 WT4 O ATOM 51998 H1 TIP3 9117 -1.231 -8.921 -9.621 1.00 0.00 WT4 H ATOM 51999 H2 TIP3 9117 -1.810 0.306 -6.826 1.00 0.00 WT4 H ATOM 52000 OH2 TIP3 9201 -0.084 1.929 -3.260 1.00 0.00 WT4 O ATOM 52001 H1 TIP3 9201 -12.244 -6.348 0.971 1.00 0.00 WT4 H ATOM 52002 H2 TIP3 9201 -22.554 -13.699 3.149 1.00 0.00 WT4 H ATOM 52003 OH2 TIP3 9226 -0.196 -1.291 -1.153 1.00 0.00 WT4 O ATOM 52004 H1 TIP3 9226 -11.501 5.954 2.591 1.00 0.00 WT4 H ATOM 52005 H2 TIP3 9226 10.782 -8.574 -2.255 1.00 0.00 WT4 H ATOM 52006 OH2 TIP3 9241 -6.000 -11.580 0.884 1.00 0.00 WT4 O ATOM 52007 H1 TIP3 9241 8.584 4.064 27.589 1.00 0.00 WT4 H ATOM 52008 H2 TIP3 9241 3.020 -3.431 6.985 1.00 0.00 WT4 H ATOM 52009 OH2 TIP3 9243 -0.069 -1.863 -3.090 1.00 0.00 WT4 O ATOM 52010 H1 TIP3 9243 -15.799 17.390 3.347 1.00 0.00 WT4 H ATOM 52011 H2 TIP3 9243 21.661 -25.174 -5.457 1.00 0.00 WT4 H ATOM 52012 OH2 TIP3 9246 -1.322 -7.949 2.483 1.00 0.00 WT4 O ATOM 52013 H1 TIP3 9246 -13.297 -13.713 8.888 1.00 0.00 WT4 H ATOM 52014 H2 TIP3 9246 18.831 -0.849 -1.372 1.00 0.00 WT4 H ATOM 52015 OH2 TIP3 9250 3.579 -1.434 0.698 1.00 0.00 WT4 O ATOM 52016 H1 TIP3 9250 6.213 7.051 18.039 1.00 0.00 WT4 H ATOM 52017 H2 TIP3 9250 24.801 -17.326 -3.636 1.00 0.00 WT4 H ATOM 52018 OH2 TIP3 9261 -3.507 -4.942 -7.182 1.00 0.00 WT4 O ATOM 52019 H1 TIP3 9261 -10.125 -10.720 7.315 1.00 0.00 WT4 H ATOM 52020 H2 TIP3 9261 -13.699 15.326 -12.442 1.00 0.00 WT4 H ATOM 52021 OH2 TIP3 2 1.739 -2.741 1.389 1.00 0.00 WT5 O ATOM 52022 H1 TIP3 2 -9.650 -1.740 6.262 1.00 0.00 WT5 H ATOM 52023 H2 TIP3 2 12.859 1.047 10.817 1.00 0.00 WT5 H ATOM 52024 OH2 TIP3 5 3.812 -0.328 -0.894 1.00 0.00 WT5 O ATOM 52025 H1 TIP3 5 -16.248 -16.851 -23.431 1.00 0.00 WT5 H ATOM 52026 H2 TIP3 5 4.363 -8.444 -3.472 1.00 0.00 WT5 H ATOM 52027 OH2 TIP3 8 -3.662 -7.803 -5.177 1.00 0.00 WT5 O ATOM 52028 H1 TIP3 8 -9.993 -9.291 -24.577 1.00 0.00 WT5 H ATOM 52029 H2 TIP3 8 17.209 -1.604 -10.404 1.00 0.00 WT5 H ATOM 52030 OH2 TIP3 14 -2.524 -1.325 -3.523 1.00 0.00 WT5 O ATOM 52031 H1 TIP3 14 -1.640 3.350 2.412 1.00 0.00 WT5 H ATOM 52032 H2 TIP3 14 -19.053 -16.817 -27.694 1.00 0.00 WT5 H ATOM 52033 OH2 TIP3 15 3.586 -2.478 0.965 1.00 0.00 WT5 O ATOM 52034 H1 TIP3 15 -5.537 -2.411 0.829 1.00 0.00 WT5 H ATOM 52035 H2 TIP3 15 6.945 2.344 -8.301 1.00 0.00 WT5 H ATOM 52036 OH2 TIP3 19 3.566 -3.508 -2.183 1.00 0.00 WT5 O ATOM 52037 H1 TIP3 19 19.290 -4.036 4.001 1.00 0.00 WT5 H ATOM 52038 H2 TIP3 19 -17.042 5.103 -9.281 1.00 0.00 WT5 H ATOM 52039 OH2 TIP3 40 -3.229 -3.520 1.051 1.00 0.00 WT5 O ATOM 52040 H1 TIP3 40 3.395 -0.342 -5.507 1.00 0.00 WT5 H ATOM 52041 H2 TIP3 40 -5.566 13.278 -7.428 1.00 0.00 WT5 H ATOM 52042 OH2 TIP3 42 -2.461 2.149 -2.477 1.00 0.00 WT5 O ATOM 52043 H1 TIP3 42 -1.321 1.806 3.064 1.00 0.00 WT5 H ATOM 52044 H2 TIP3 42 2.541 9.647 21.654 1.00 0.00 WT5 H ATOM 52045 OH2 TIP3 44 6.692 1.975 1.820 1.00 0.00 WT5 O ATOM 52046 H1 TIP3 44 20.228 8.944 -28.294 1.00 0.00 WT5 H ATOM 52047 H2 TIP3 44 -3.894 -15.208 -11.640 1.00 0.00 WT5 H ATOM 52048 OH2 TIP3 48 4.149 3.568 -5.451 1.00 0.00 WT5 O ATOM 52049 H1 TIP3 48 6.091 -2.028 -8.067 1.00 0.00 WT5 H ATOM 52050 H2 TIP3 48 -8.575 -1.224 -17.228 1.00 0.00 WT5 H ATOM 52051 OH2 TIP3 52 -6.834 -2.773 4.672 1.00 0.00 WT5 O ATOM 52052 H1 TIP3 52 1.171 -5.946 -3.832 1.00 0.00 WT5 H ATOM 52053 H2 TIP3 52 2.863 2.844 -4.070 1.00 0.00 WT5 H ATOM 52054 OH2 TIP3 53 -1.965 5.694 -1.684 1.00 0.00 WT5 O ATOM 52055 H1 TIP3 53 -14.596 -18.665 16.239 1.00 0.00 WT5 H ATOM 52056 H2 TIP3 53 0.063 11.273 -39.176 1.00 0.00 WT5 H ATOM 52057 OH2 TIP3 55 3.753 -3.552 1.324 1.00 0.00 WT5 O ATOM 52058 H1 TIP3 55 40.806 -12.269 1.477 1.00 0.00 WT5 H ATOM 52059 H2 TIP3 55 -16.306 -7.678 5.021 1.00 0.00 WT5 H ATOM 52060 OH2 TIP3 61 -0.579 -2.416 3.647 1.00 0.00 WT5 O ATOM 52061 H1 TIP3 61 10.069 -4.519 0.532 1.00 0.00 WT5 H ATOM 52062 H2 TIP3 61 -5.987 16.433 3.207 1.00 0.00 WT5 H ATOM 52063 OH2 TIP3 65 2.026 -0.504 -4.839 1.00 0.00 WT5 O ATOM 52064 H1 TIP3 65 -10.616 -6.091 17.620 1.00 0.00 WT5 H ATOM 52065 H2 TIP3 65 17.300 6.117 5.336 1.00 0.00 WT5 H ATOM 52066 OH2 TIP3 67 -2.742 -1.836 0.178 1.00 0.00 WT5 O ATOM 52067 H1 TIP3 67 -1.272 0.380 -2.028 1.00 0.00 WT5 H ATOM 52068 H2 TIP3 67 -15.094 -14.952 12.330 1.00 0.00 WT5 H ATOM 52069 OH2 TIP3 77 3.173 4.336 -1.153 1.00 0.00 WT5 O ATOM 52070 H1 TIP3 77 15.167 -0.688 9.296 1.00 0.00 WT5 H ATOM 52071 H2 TIP3 77 2.334 -18.473 14.908 1.00 0.00 WT5 H ATOM 52072 OH2 TIP3 78 2.662 5.678 -0.794 1.00 0.00 WT5 O ATOM 52073 H1 TIP3 78 12.374 15.717 5.916 1.00 0.00 WT5 H ATOM 52074 H2 TIP3 78 10.274 -3.209 -8.038 1.00 0.00 WT5 H ATOM 52075 OH2 TIP3 87 -1.403 -4.880 3.360 1.00 0.00 WT5 O ATOM 52076 H1 TIP3 87 -2.297 -9.119 -2.390 1.00 0.00 WT5 H ATOM 52077 H2 TIP3 87 9.531 7.098 8.885 1.00 0.00 WT5 H ATOM 52078 OH2 TIP3 89 -1.337 -0.775 7.088 1.00 0.00 WT5 O ATOM 52079 H1 TIP3 89 -1.039 -3.165 28.292 1.00 0.00 WT5 H ATOM 52080 H2 TIP3 89 -0.313 22.902 5.934 1.00 0.00 WT5 H ATOM 52081 OH2 TIP3 94 -1.244 -1.641 5.226 1.00 0.00 WT5 O ATOM 52082 H1 TIP3 94 -3.679 2.768 -0.641 1.00 0.00 WT5 H ATOM 52083 H2 TIP3 94 -9.193 -8.376 5.623 1.00 0.00 WT5 H ATOM 52084 OH2 TIP3 95 0.476 0.648 -3.307 1.00 0.00 WT5 O ATOM 52085 H1 TIP3 95 3.074 14.149 -6.715 1.00 0.00 WT5 H ATOM 52086 H2 TIP3 95 -19.230 1.411 4.632 1.00 0.00 WT5 H ATOM 52087 OH2 TIP3 103 4.520 4.494 -1.926 1.00 0.00 WT5 O ATOM 52088 H1 TIP3 103 18.161 -1.941 -2.612 1.00 0.00 WT5 H ATOM 52089 H2 TIP3 103 17.209 0.581 -5.390 1.00 0.00 WT5 H ATOM 52090 OH2 TIP3 113 -8.091 -0.193 -0.453 1.00 0.00 WT5 O ATOM 52091 H1 TIP3 113 14.557 14.388 -19.460 1.00 0.00 WT5 H ATOM 52092 H2 TIP3 113 -2.162 -24.990 13.642 1.00 0.00 WT5 H ATOM 52093 OH2 TIP3 115 -0.340 -2.579 4.784 1.00 0.00 WT5 O ATOM 52094 H1 TIP3 115 -14.653 -23.333 13.411 1.00 0.00 WT5 H ATOM 52095 H2 TIP3 115 -2.035 3.941 17.521 1.00 0.00 WT5 H ATOM 52096 OH2 TIP3 122 3.177 0.986 -3.984 1.00 0.00 WT5 O ATOM 52097 H1 TIP3 122 5.997 -3.275 -0.835 1.00 0.00 WT5 H ATOM 52098 H2 TIP3 122 16.917 -40.616 -1.818 1.00 0.00 WT5 H ATOM 52099 OH2 TIP3 128 1.076 2.365 4.614 1.00 0.00 WT5 O ATOM 52100 H1 TIP3 128 0.234 4.997 -2.718 1.00 0.00 WT5 H ATOM 52101 H2 TIP3 128 17.572 14.997 -10.825 1.00 0.00 WT5 H ATOM 52102 OH2 TIP3 135 -3.240 -3.604 2.140 1.00 0.00 WT5 O ATOM 52103 H1 TIP3 135 -25.590 20.745 34.367 1.00 0.00 WT5 H ATOM 52104 H2 TIP3 135 -4.564 -14.140 12.033 1.00 0.00 WT5 H ATOM 52105 OH2 TIP3 137 3.024 0.358 -0.202 1.00 0.00 WT5 O ATOM 52106 H1 TIP3 137 -4.243 7.095 10.423 1.00 0.00 WT5 H ATOM 52107 H2 TIP3 137 7.047 -36.825 4.429 1.00 0.00 WT5 H ATOM 52108 OH2 TIP3 149 -3.860 8.496 -4.142 1.00 0.00 WT5 O ATOM 52109 H1 TIP3 149 -2.888 11.092 -30.362 1.00 0.00 WT5 H ATOM 52110 H2 TIP3 149 -2.988 16.176 -2.658 1.00 0.00 WT5 H ATOM 52111 OH2 TIP3 150 -0.285 4.578 2.645 1.00 0.00 WT5 O ATOM 52112 H1 TIP3 150 2.952 -2.755 -14.901 1.00 0.00 WT5 H ATOM 52113 H2 TIP3 150 -9.921 6.077 -4.063 1.00 0.00 WT5 H ATOM 52114 OH2 TIP3 153 2.810 5.313 -7.289 1.00 0.00 WT5 O ATOM 52115 H1 TIP3 153 -1.496 1.576 -1.790 1.00 0.00 WT5 H ATOM 52116 H2 TIP3 153 4.215 6.179 -8.907 1.00 0.00 WT5 H ATOM 52117 OH2 TIP3 155 -0.863 -0.663 3.687 1.00 0.00 WT5 O ATOM 52118 H1 TIP3 155 -11.540 -4.256 -1.288 1.00 0.00 WT5 H ATOM 52119 H2 TIP3 155 0.411 -11.875 -9.839 1.00 0.00 WT5 H ATOM 52120 OH2 TIP3 165 -4.872 3.212 2.962 1.00 0.00 WT5 O ATOM 52121 H1 TIP3 165 -18.927 9.856 -0.385 1.00 0.00 WT5 H ATOM 52122 H2 TIP3 165 -3.471 -0.423 -0.110 1.00 0.00 WT5 H ATOM 52123 OH2 TIP3 167 -2.063 5.222 0.717 1.00 0.00 WT5 O ATOM 52124 H1 TIP3 167 7.247 -18.857 8.116 1.00 0.00 WT5 H ATOM 52125 H2 TIP3 167 14.553 16.780 -3.846 1.00 0.00 WT5 H ATOM 52126 OH2 TIP3 174 1.634 -3.599 -0.819 1.00 0.00 WT5 O ATOM 52127 H1 TIP3 174 -18.896 4.031 6.909 1.00 0.00 WT5 H ATOM 52128 H2 TIP3 174 5.414 -0.382 1.971 1.00 0.00 WT5 H ATOM 52129 OH2 TIP3 175 6.595 -0.367 5.067 1.00 0.00 WT5 O ATOM 52130 H1 TIP3 175 6.408 0.505 3.368 1.00 0.00 WT5 H ATOM 52131 H2 TIP3 175 -5.149 -29.113 2.419 1.00 0.00 WT5 H ATOM 52132 OH2 TIP3 177 -0.367 9.459 3.304 1.00 0.00 WT5 O ATOM 52133 H1 TIP3 177 0.894 6.527 13.919 1.00 0.00 WT5 H ATOM 52134 H2 TIP3 177 24.286 23.532 -15.621 1.00 0.00 WT5 H ATOM 52135 OH2 TIP3 178 -0.845 1.023 8.190 1.00 0.00 WT5 O ATOM 52136 H1 TIP3 178 -23.681 14.895 10.036 1.00 0.00 WT5 H ATOM 52137 H2 TIP3 178 -14.485 10.630 -23.246 1.00 0.00 WT5 H ATOM 52138 OH2 TIP3 191 7.619 -6.301 -0.441 1.00 0.00 WT5 O ATOM 52139 H1 TIP3 191 -13.032 9.958 -31.651 1.00 0.00 WT5 H ATOM 52140 H2 TIP3 191 -5.155 -19.497 -1.024 1.00 0.00 WT5 H ATOM 52141 OH2 TIP3 194 -7.186 -3.038 5.571 1.00 0.00 WT5 O ATOM 52142 H1 TIP3 194 0.738 1.388 13.628 1.00 0.00 WT5 H ATOM 52143 H2 TIP3 194 11.697 11.303 13.503 1.00 0.00 WT5 H ATOM 52144 OH2 TIP3 195 0.224 1.989 -1.160 1.00 0.00 WT5 O ATOM 52145 H1 TIP3 195 -4.824 14.879 -1.442 1.00 0.00 WT5 H ATOM 52146 H2 TIP3 195 -0.343 -0.412 14.314 1.00 0.00 WT5 H ATOM 52147 OH2 TIP3 196 0.199 -3.629 -1.703 1.00 0.00 WT5 O ATOM 52148 H1 TIP3 196 0.338 2.989 -6.100 1.00 0.00 WT5 H ATOM 52149 H2 TIP3 196 14.967 29.697 -7.564 1.00 0.00 WT5 H ATOM 52150 OH2 TIP3 201 1.868 -5.648 2.576 1.00 0.00 WT5 O ATOM 52151 H1 TIP3 201 -6.159 -1.871 5.415 1.00 0.00 WT5 H ATOM 52152 H2 TIP3 201 5.443 -9.983 -3.565 1.00 0.00 WT5 H ATOM 52153 OH2 TIP3 205 -4.557 0.327 2.362 1.00 0.00 WT5 O ATOM 52154 H1 TIP3 205 -3.573 17.042 -3.202 1.00 0.00 WT5 H ATOM 52155 H2 TIP3 205 -0.576 7.293 18.457 1.00 0.00 WT5 H ATOM 52156 OH2 TIP3 213 1.833 -3.558 1.993 1.00 0.00 WT5 O ATOM 52157 H1 TIP3 213 -5.952 -12.886 -4.508 1.00 0.00 WT5 H ATOM 52158 H2 TIP3 213 8.695 7.526 9.766 1.00 0.00 WT5 H ATOM 52159 OH2 TIP3 225 0.653 -0.564 4.065 1.00 0.00 WT5 O ATOM 52160 H1 TIP3 225 9.887 14.143 0.541 1.00 0.00 WT5 H ATOM 52161 H2 TIP3 225 -4.890 -1.515 -8.039 1.00 0.00 WT5 H ATOM 52162 OH2 TIP3 227 -2.293 0.818 -1.853 1.00 0.00 WT5 O ATOM 52163 H1 TIP3 227 -14.424 2.983 -5.216 1.00 0.00 WT5 H ATOM 52164 H2 TIP3 227 5.895 0.170 -3.801 1.00 0.00 WT5 H ATOM 52165 OH2 TIP3 234 -2.721 1.421 -3.554 1.00 0.00 WT5 O ATOM 52166 H1 TIP3 234 6.363 19.836 0.938 1.00 0.00 WT5 H ATOM 52167 H2 TIP3 234 -10.724 0.432 -2.127 1.00 0.00 WT5 H ATOM 52168 OH2 TIP3 237 4.938 -3.598 -2.485 1.00 0.00 WT5 O ATOM 52169 H1 TIP3 237 -5.310 3.825 -4.264 1.00 0.00 WT5 H ATOM 52170 H2 TIP3 237 -15.128 -1.313 18.385 1.00 0.00 WT5 H ATOM 52171 OH2 TIP3 248 3.310 -0.401 -0.789 1.00 0.00 WT5 O ATOM 52172 H1 TIP3 248 -9.378 -10.261 -0.003 1.00 0.00 WT5 H ATOM 52173 H2 TIP3 248 18.842 6.559 3.576 1.00 0.00 WT5 H ATOM 52174 OH2 TIP3 250 1.919 0.795 -1.428 1.00 0.00 WT5 O ATOM 52175 H1 TIP3 250 9.236 16.133 9.546 1.00 0.00 WT5 H ATOM 52176 H2 TIP3 250 -17.502 -3.501 2.355 1.00 0.00 WT5 H ATOM 52177 OH2 TIP3 261 0.415 3.176 -1.664 1.00 0.00 WT5 O ATOM 52178 H1 TIP3 261 5.188 8.455 -6.196 1.00 0.00 WT5 H ATOM 52179 H2 TIP3 261 -10.269 -21.654 -13.307 1.00 0.00 WT5 H ATOM 52180 OH2 TIP3 267 -1.975 0.281 -2.092 1.00 0.00 WT5 O ATOM 52181 H1 TIP3 267 7.106 -9.403 21.866 1.00 0.00 WT5 H ATOM 52182 H2 TIP3 267 -31.685 16.196 4.357 1.00 0.00 WT5 H ATOM 52183 OH2 TIP3 268 -3.902 2.548 -7.702 1.00 0.00 WT5 O ATOM 52184 H1 TIP3 268 -15.656 -15.980 6.691 1.00 0.00 WT5 H ATOM 52185 H2 TIP3 268 -8.051 23.312 7.295 1.00 0.00 WT5 H ATOM 52186 OH2 TIP3 283 2.579 -5.145 -2.773 1.00 0.00 WT5 O ATOM 52187 H1 TIP3 283 1.150 5.457 -7.260 1.00 0.00 WT5 H ATOM 52188 H2 TIP3 283 -1.184 -0.832 -10.566 1.00 0.00 WT5 H ATOM 52189 OH2 TIP3 292 3.052 4.408 1.983 1.00 0.00 WT5 O ATOM 52190 H1 TIP3 292 -0.403 -5.293 10.941 1.00 0.00 WT5 H ATOM 52191 H2 TIP3 292 -1.569 3.445 -0.494 1.00 0.00 WT5 H ATOM 52192 OH2 TIP3 303 1.219 -3.811 -3.044 1.00 0.00 WT5 O ATOM 52193 H1 TIP3 303 4.648 -4.964 -8.359 1.00 0.00 WT5 H ATOM 52194 H2 TIP3 303 -1.155 0.572 6.089 1.00 0.00 WT5 H ATOM 52195 OH2 TIP3 306 -1.220 0.143 -1.251 1.00 0.00 WT5 O ATOM 52196 H1 TIP3 306 1.321 -6.097 -27.145 1.00 0.00 WT5 H ATOM 52197 H2 TIP3 306 -14.837 8.562 15.764 1.00 0.00 WT5 H ATOM 52198 OH2 TIP3 307 0.887 8.925 -0.134 1.00 0.00 WT5 O ATOM 52199 H1 TIP3 307 6.679 6.759 13.114 1.00 0.00 WT5 H ATOM 52200 H2 TIP3 307 5.609 2.716 13.379 1.00 0.00 WT5 H ATOM 52201 OH2 TIP3 309 -2.847 -1.037 -2.720 1.00 0.00 WT5 O ATOM 52202 H1 TIP3 309 -5.021 -5.238 1.345 1.00 0.00 WT5 H ATOM 52203 H2 TIP3 309 -4.671 -3.318 -3.432 1.00 0.00 WT5 H ATOM 52204 OH2 TIP3 313 -0.061 6.450 -3.900 1.00 0.00 WT5 O ATOM 52205 H1 TIP3 313 -9.847 -17.827 -23.959 1.00 0.00 WT5 H ATOM 52206 H2 TIP3 313 3.084 -5.116 0.436 1.00 0.00 WT5 H ATOM 52207 OH2 TIP3 314 0.955 -5.510 -1.031 1.00 0.00 WT5 O ATOM 52208 H1 TIP3 314 -1.339 -6.495 -8.623 1.00 0.00 WT5 H ATOM 52209 H2 TIP3 314 3.965 -1.568 12.783 1.00 0.00 WT5 H ATOM 52210 OH2 TIP3 323 -3.609 0.914 1.446 1.00 0.00 WT5 O ATOM 52211 H1 TIP3 323 -1.962 1.308 4.851 1.00 0.00 WT5 H ATOM 52212 H2 TIP3 323 4.774 5.055 17.592 1.00 0.00 WT5 H ATOM 52213 OH2 TIP3 325 2.548 -2.727 1.038 1.00 0.00 WT5 O ATOM 52214 H1 TIP3 325 6.120 2.878 -19.661 1.00 0.00 WT5 H ATOM 52215 H2 TIP3 325 9.840 3.829 -5.875 1.00 0.00 WT5 H ATOM 52216 OH2 TIP3 327 -4.077 2.707 2.528 1.00 0.00 WT5 O ATOM 52217 H1 TIP3 327 1.132 0.411 -0.916 1.00 0.00 WT5 H ATOM 52218 H2 TIP3 327 -7.228 -0.849 0.584 1.00 0.00 WT5 H ATOM 52219 OH2 TIP3 328 2.152 -6.471 2.134 1.00 0.00 WT5 O ATOM 52220 H1 TIP3 328 -2.465 -4.170 5.133 1.00 0.00 WT5 H ATOM 52221 H2 TIP3 328 6.931 -22.012 11.012 1.00 0.00 WT5 H ATOM 52222 OH2 TIP3 329 6.962 3.594 -6.672 1.00 0.00 WT5 O ATOM 52223 H1 TIP3 329 7.516 -11.430 -1.750 1.00 0.00 WT5 H ATOM 52224 H2 TIP3 329 23.219 11.850 12.105 1.00 0.00 WT5 H ATOM 52225 OH2 TIP3 336 11.534 3.204 2.660 1.00 0.00 WT5 O ATOM 52226 H1 TIP3 336 2.615 11.741 9.084 1.00 0.00 WT5 H ATOM 52227 H2 TIP3 336 10.520 -2.124 -4.987 1.00 0.00 WT5 H ATOM 52228 OH2 TIP3 338 6.952 1.268 3.857 1.00 0.00 WT5 O ATOM 52229 H1 TIP3 338 -8.209 11.760 7.007 1.00 0.00 WT5 H ATOM 52230 H2 TIP3 338 2.602 1.122 0.841 1.00 0.00 WT5 H ATOM 52231 OH2 TIP3 344 2.185 -4.451 0.030 1.00 0.00 WT5 O ATOM 52232 H1 TIP3 344 2.228 -6.259 1.136 1.00 0.00 WT5 H ATOM 52233 H2 TIP3 344 -8.117 -9.781 -13.285 1.00 0.00 WT5 H ATOM 52234 OH2 TIP3 347 -4.824 -1.505 2.250 1.00 0.00 WT5 O ATOM 52235 H1 TIP3 347 -2.739 0.057 -6.713 1.00 0.00 WT5 H ATOM 52236 H2 TIP3 347 -2.570 2.277 3.977 1.00 0.00 WT5 H ATOM 52237 OH2 TIP3 352 -8.370 -5.501 3.548 1.00 0.00 WT5 O ATOM 52238 H1 TIP3 352 -1.677 15.794 3.531 1.00 0.00 WT5 H ATOM 52239 H2 TIP3 352 1.098 -15.917 23.351 1.00 0.00 WT5 H ATOM 52240 OH2 TIP3 359 1.147 -0.987 0.011 1.00 0.00 WT5 O ATOM 52241 H1 TIP3 359 -13.906 -11.974 2.753 1.00 0.00 WT5 H ATOM 52242 H2 TIP3 359 2.363 7.300 10.473 1.00 0.00 WT5 H ATOM 52243 OH2 TIP3 372 2.132 -1.332 5.731 1.00 0.00 WT5 O ATOM 52244 H1 TIP3 372 23.195 -7.684 -17.878 1.00 0.00 WT5 H ATOM 52245 H2 TIP3 372 -4.425 -21.471 7.664 1.00 0.00 WT5 H ATOM 52246 OH2 TIP3 379 -4.391 -5.405 3.602 1.00 0.00 WT5 O ATOM 52247 H1 TIP3 379 -11.809 -4.393 5.006 1.00 0.00 WT5 H ATOM 52248 H2 TIP3 379 15.451 -1.776 -4.166 1.00 0.00 WT5 H ATOM 52249 OH2 TIP3 384 -0.783 -2.652 -0.617 1.00 0.00 WT5 O ATOM 52250 H1 TIP3 384 -3.911 -6.065 -7.020 1.00 0.00 WT5 H ATOM 52251 H2 TIP3 384 6.584 7.029 1.559 1.00 0.00 WT5 H ATOM 52252 OH2 TIP3 389 -0.794 5.053 -14.639 1.00 0.00 WT5 O ATOM 52253 H1 TIP3 389 -28.595 -17.599 -0.774 1.00 0.00 WT5 H ATOM 52254 H2 TIP3 389 -12.309 3.968 -13.791 1.00 0.00 WT5 H ATOM 52255 OH2 TIP3 391 1.915 -2.135 -4.742 1.00 0.00 WT5 O ATOM 52256 H1 TIP3 391 27.051 14.318 -10.923 1.00 0.00 WT5 H ATOM 52257 H2 TIP3 391 -1.524 8.907 14.486 1.00 0.00 WT5 H ATOM 52258 OH2 TIP3 399 -1.871 -1.424 -5.083 1.00 0.00 WT5 O ATOM 52259 H1 TIP3 399 -5.922 18.194 0.946 1.00 0.00 WT5 H ATOM 52260 H2 TIP3 399 -0.983 -16.454 -3.733 1.00 0.00 WT5 H ATOM 52261 OH2 TIP3 400 0.438 -4.964 5.901 1.00 0.00 WT5 O ATOM 52262 H1 TIP3 400 12.091 0.849 -8.960 1.00 0.00 WT5 H ATOM 52263 H2 TIP3 400 15.121 2.904 -17.799 1.00 0.00 WT5 H ATOM 52264 OH2 TIP3 401 3.152 -8.000 2.792 1.00 0.00 WT5 O ATOM 52265 H1 TIP3 401 -1.590 -16.346 10.142 1.00 0.00 WT5 H ATOM 52266 H2 TIP3 401 15.750 14.225 -11.566 1.00 0.00 WT5 H ATOM 52267 OH2 TIP3 409 2.215 1.487 -7.913 1.00 0.00 WT5 O ATOM 52268 H1 TIP3 409 -1.611 23.448 -2.583 1.00 0.00 WT5 H ATOM 52269 H2 TIP3 409 6.931 12.767 -7.457 1.00 0.00 WT5 H ATOM 52270 OH2 TIP3 417 -6.114 -6.079 2.713 1.00 0.00 WT5 O ATOM 52271 H1 TIP3 417 5.780 10.352 11.820 1.00 0.00 WT5 H ATOM 52272 H2 TIP3 417 -1.748 4.676 8.924 1.00 0.00 WT5 H ATOM 52273 OH2 TIP3 418 2.025 -1.041 -4.657 1.00 0.00 WT5 O ATOM 52274 H1 TIP3 418 -9.532 -4.148 -2.898 1.00 0.00 WT5 H ATOM 52275 H2 TIP3 418 -11.610 -6.845 -1.899 1.00 0.00 WT5 H ATOM 52276 OH2 TIP3 422 -2.861 0.768 -2.930 1.00 0.00 WT5 O ATOM 52277 H1 TIP3 422 10.877 -9.410 7.867 1.00 0.00 WT5 H ATOM 52278 H2 TIP3 422 12.719 10.370 -21.402 1.00 0.00 WT5 H ATOM 52279 OH2 TIP3 425 3.676 -5.137 -1.319 1.00 0.00 WT5 O ATOM 52280 H1 TIP3 425 3.177 -5.975 -14.668 1.00 0.00 WT5 H ATOM 52281 H2 TIP3 425 17.858 3.472 12.598 1.00 0.00 WT5 H ATOM 52282 OH2 TIP3 431 3.394 1.843 -3.667 1.00 0.00 WT5 O ATOM 52283 H1 TIP3 431 6.028 -11.057 -10.614 1.00 0.00 WT5 H ATOM 52284 H2 TIP3 431 -4.717 -4.468 -1.394 1.00 0.00 WT5 H ATOM 52285 OH2 TIP3 433 6.696 1.024 1.064 1.00 0.00 WT5 O ATOM 52286 H1 TIP3 433 3.030 2.325 0.156 1.00 0.00 WT5 H ATOM 52287 H2 TIP3 433 3.000 0.432 -6.582 1.00 0.00 WT5 H ATOM 52288 OH2 TIP3 460 1.717 2.559 -1.107 1.00 0.00 WT5 O ATOM 52289 H1 TIP3 460 1.508 4.605 0.359 1.00 0.00 WT5 H ATOM 52290 H2 TIP3 460 -13.139 -0.757 1.860 1.00 0.00 WT5 H ATOM 52291 OH2 TIP3 462 4.117 -0.886 -3.296 1.00 0.00 WT5 O ATOM 52292 H1 TIP3 462 -0.550 4.128 8.984 1.00 0.00 WT5 H ATOM 52293 H2 TIP3 462 0.809 2.864 26.878 1.00 0.00 WT5 H ATOM 52294 OH2 TIP3 463 0.615 4.399 -9.915 1.00 0.00 WT5 O ATOM 52295 H1 TIP3 463 -13.153 -4.293 4.700 1.00 0.00 WT5 H ATOM 52296 H2 TIP3 463 16.174 8.411 -10.317 1.00 0.00 WT5 H ATOM 52297 OH2 TIP3 470 6.050 3.247 -5.517 1.00 0.00 WT5 O ATOM 52298 H1 TIP3 470 4.662 12.371 -0.075 1.00 0.00 WT5 H ATOM 52299 H2 TIP3 470 4.041 0.610 -1.680 1.00 0.00 WT5 H ATOM 52300 OH2 TIP3 472 0.221 1.035 1.241 1.00 0.00 WT5 O ATOM 52301 H1 TIP3 472 -14.659 -2.341 31.333 1.00 0.00 WT5 H ATOM 52302 H2 TIP3 472 27.523 3.537 5.387 1.00 0.00 WT5 H ATOM 52303 OH2 TIP3 480 -2.986 -6.402 0.286 1.00 0.00 WT5 O ATOM 52304 H1 TIP3 480 -2.389 -7.797 -1.318 1.00 0.00 WT5 H ATOM 52305 H2 TIP3 480 -10.548 -23.325 -8.858 1.00 0.00 WT5 H ATOM 52306 OH2 TIP3 481 1.056 3.593 -1.429 1.00 0.00 WT5 O ATOM 52307 H1 TIP3 481 -6.148 -13.600 -3.599 1.00 0.00 WT5 H ATOM 52308 H2 TIP3 481 17.991 9.559 20.167 1.00 0.00 WT5 H ATOM 52309 OH2 TIP3 485 -1.456 -4.172 -0.261 1.00 0.00 WT5 O ATOM 52310 H1 TIP3 485 -2.013 -10.020 4.876 1.00 0.00 WT5 H ATOM 52311 H2 TIP3 485 -6.932 1.335 2.004 1.00 0.00 WT5 H ATOM 52312 OH2 TIP3 486 0.024 0.623 3.172 1.00 0.00 WT5 O ATOM 52313 H1 TIP3 486 -5.475 -7.186 4.668 1.00 0.00 WT5 H ATOM 52314 H2 TIP3 486 13.057 12.145 0.299 1.00 0.00 WT5 H ATOM 52315 OH2 TIP3 489 -2.196 5.402 5.365 1.00 0.00 WT5 O ATOM 52316 H1 TIP3 489 -4.573 9.795 0.136 1.00 0.00 WT5 H ATOM 52317 H2 TIP3 489 -9.126 9.009 -4.530 1.00 0.00 WT5 H ATOM 52318 OH2 TIP3 490 -8.157 -0.482 -6.640 1.00 0.00 WT5 O ATOM 52319 H1 TIP3 490 12.473 3.944 -1.227 1.00 0.00 WT5 H ATOM 52320 H2 TIP3 490 -11.667 3.560 22.134 1.00 0.00 WT5 H ATOM 52321 OH2 TIP3 491 -0.330 -1.628 4.486 1.00 0.00 WT5 O ATOM 52322 H1 TIP3 491 -19.651 11.726 8.698 1.00 0.00 WT5 H ATOM 52323 H2 TIP3 491 -5.758 -6.494 -2.231 1.00 0.00 WT5 H ATOM 52324 OH2 TIP3 494 3.671 4.846 3.495 1.00 0.00 WT5 O ATOM 52325 H1 TIP3 494 -11.170 5.359 1.778 1.00 0.00 WT5 H ATOM 52326 H2 TIP3 494 5.138 -11.054 4.470 1.00 0.00 WT5 H ATOM 52327 OH2 TIP3 496 0.206 -0.561 -0.261 1.00 0.00 WT5 O ATOM 52328 H1 TIP3 496 -7.549 7.548 -10.791 1.00 0.00 WT5 H ATOM 52329 H2 TIP3 496 0.102 -9.094 12.896 1.00 0.00 WT5 H ATOM 52330 OH2 TIP3 501 -3.468 -4.627 0.570 1.00 0.00 WT5 O ATOM 52331 H1 TIP3 501 -15.208 0.913 13.695 1.00 0.00 WT5 H ATOM 52332 H2 TIP3 501 4.357 -9.568 -9.582 1.00 0.00 WT5 H ATOM 52333 OH2 TIP3 502 -0.255 -0.443 1.999 1.00 0.00 WT5 O ATOM 52334 H1 TIP3 502 9.105 13.496 -13.020 1.00 0.00 WT5 H ATOM 52335 H2 TIP3 502 0.165 8.333 7.845 1.00 0.00 WT5 H ATOM 52336 OH2 TIP3 503 0.067 2.129 3.367 1.00 0.00 WT5 O ATOM 52337 H1 TIP3 503 20.895 27.444 -0.855 1.00 0.00 WT5 H ATOM 52338 H2 TIP3 503 3.771 6.257 14.983 1.00 0.00 WT5 H ATOM 52339 OH2 TIP3 506 1.688 0.431 -1.972 1.00 0.00 WT5 O ATOM 52340 H1 TIP3 506 -5.883 -12.639 -0.498 1.00 0.00 WT5 H ATOM 52341 H2 TIP3 506 -5.152 -11.009 0.119 1.00 0.00 WT5 H ATOM 52342 OH2 TIP3 509 -0.867 0.288 -1.434 1.00 0.00 WT5 O ATOM 52343 H1 TIP3 509 0.502 -18.535 -8.896 1.00 0.00 WT5 H ATOM 52344 H2 TIP3 509 8.966 -0.075 15.442 1.00 0.00 WT5 H ATOM 52345 OH2 TIP3 511 -2.187 2.139 0.958 1.00 0.00 WT5 O ATOM 52346 H1 TIP3 511 4.928 8.902 -2.185 1.00 0.00 WT5 H ATOM 52347 H2 TIP3 511 0.072 0.112 12.243 1.00 0.00 WT5 H ATOM 52348 OH2 TIP3 515 -2.182 -4.472 0.022 1.00 0.00 WT5 O ATOM 52349 H1 TIP3 515 -20.285 -20.877 -4.852 1.00 0.00 WT5 H ATOM 52350 H2 TIP3 515 -5.787 -40.867 13.330 1.00 0.00 WT5 H ATOM 52351 OH2 TIP3 516 -2.007 -2.703 -2.956 1.00 0.00 WT5 O ATOM 52352 H1 TIP3 516 -4.705 -6.922 4.249 1.00 0.00 WT5 H ATOM 52353 H2 TIP3 516 -6.308 -8.271 -9.975 1.00 0.00 WT5 H ATOM 52354 OH2 TIP3 520 -7.274 -4.225 8.806 1.00 0.00 WT5 O ATOM 52355 H1 TIP3 520 -16.955 16.132 3.786 1.00 0.00 WT5 H ATOM 52356 H2 TIP3 520 8.496 28.836 -14.687 1.00 0.00 WT5 H ATOM 52357 OH2 TIP3 521 7.374 1.006 -2.324 1.00 0.00 WT5 O ATOM 52358 H1 TIP3 521 -13.021 2.694 -12.144 1.00 0.00 WT5 H ATOM 52359 H2 TIP3 521 -19.317 -0.726 -14.585 1.00 0.00 WT5 H ATOM 52360 OH2 TIP3 526 4.173 2.489 0.271 1.00 0.00 WT5 O ATOM 52361 H1 TIP3 526 3.729 3.817 -2.799 1.00 0.00 WT5 H ATOM 52362 H2 TIP3 526 -6.202 10.800 15.310 1.00 0.00 WT5 H ATOM 52363 OH2 TIP3 540 1.861 0.597 -1.143 1.00 0.00 WT5 O ATOM 52364 H1 TIP3 540 22.637 18.058 11.194 1.00 0.00 WT5 H ATOM 52365 H2 TIP3 540 -21.028 -15.863 7.039 1.00 0.00 WT5 H ATOM 52366 OH2 TIP3 541 -6.750 0.995 6.489 1.00 0.00 WT5 O ATOM 52367 H1 TIP3 541 -9.208 4.026 1.365 1.00 0.00 WT5 H ATOM 52368 H2 TIP3 541 13.209 9.270 6.437 1.00 0.00 WT5 H ATOM 52369 OH2 TIP3 545 5.568 -3.039 -3.175 1.00 0.00 WT5 O ATOM 52370 H1 TIP3 545 7.443 -12.159 -1.009 1.00 0.00 WT5 H ATOM 52371 H2 TIP3 545 12.460 1.302 -1.279 1.00 0.00 WT5 H ATOM 52372 OH2 TIP3 548 8.102 5.495 -6.785 1.00 0.00 WT5 O ATOM 52373 H1 TIP3 548 -14.401 -19.569 12.531 1.00 0.00 WT5 H ATOM 52374 H2 TIP3 548 19.103 7.656 -0.062 1.00 0.00 WT5 H ATOM 52375 OH2 TIP3 550 3.246 -3.455 -7.813 1.00 0.00 WT5 O ATOM 52376 H1 TIP3 550 19.619 -16.792 -4.492 1.00 0.00 WT5 H ATOM 52377 H2 TIP3 550 -8.360 3.666 -10.775 1.00 0.00 WT5 H ATOM 52378 OH2 TIP3 551 5.019 2.796 -6.456 1.00 0.00 WT5 O ATOM 52379 H1 TIP3 551 12.033 -8.196 12.393 1.00 0.00 WT5 H ATOM 52380 H2 TIP3 551 5.640 4.855 -2.240 1.00 0.00 WT5 H ATOM 52381 OH2 TIP3 555 -3.561 1.833 3.650 1.00 0.00 WT5 O ATOM 52382 H1 TIP3 555 -5.948 -2.649 9.157 1.00 0.00 WT5 H ATOM 52383 H2 TIP3 555 4.369 -0.389 -4.649 1.00 0.00 WT5 H ATOM 52384 OH2 TIP3 556 -0.015 -0.994 -2.302 1.00 0.00 WT5 O ATOM 52385 H1 TIP3 556 -2.322 -2.127 0.747 1.00 0.00 WT5 H ATOM 52386 H2 TIP3 556 3.190 0.533 -4.734 1.00 0.00 WT5 H ATOM 52387 OH2 TIP3 562 5.145 1.262 4.066 1.00 0.00 WT5 O ATOM 52388 H1 TIP3 562 8.920 2.493 -12.278 1.00 0.00 WT5 H ATOM 52389 H2 TIP3 562 5.235 20.280 5.921 1.00 0.00 WT5 H ATOM 52390 OH2 TIP3 564 1.867 4.876 -9.330 1.00 0.00 WT5 O ATOM 52391 H1 TIP3 564 -18.978 20.847 -1.831 1.00 0.00 WT5 H ATOM 52392 H2 TIP3 564 17.795 9.505 2.436 1.00 0.00 WT5 H ATOM 52393 OH2 TIP3 566 -2.834 6.815 4.440 1.00 0.00 WT5 O ATOM 52394 H1 TIP3 566 -25.929 -17.258 16.597 1.00 0.00 WT5 H ATOM 52395 H2 TIP3 566 4.030 0.131 -13.918 1.00 0.00 WT5 H ATOM 52396 OH2 TIP3 570 1.251 5.724 4.026 1.00 0.00 WT5 O ATOM 52397 H1 TIP3 570 11.609 7.668 5.679 1.00 0.00 WT5 H ATOM 52398 H2 TIP3 570 24.152 9.060 14.062 1.00 0.00 WT5 H ATOM 52399 OH2 TIP3 573 2.057 6.493 -2.515 1.00 0.00 WT5 O ATOM 52400 H1 TIP3 573 -5.687 -2.304 -5.685 1.00 0.00 WT5 H ATOM 52401 H2 TIP3 573 12.233 -3.497 -9.433 1.00 0.00 WT5 H ATOM 52402 OH2 TIP3 575 5.717 -3.825 -1.576 1.00 0.00 WT5 O ATOM 52403 H1 TIP3 575 -0.672 1.079 -21.512 1.00 0.00 WT5 H ATOM 52404 H2 TIP3 575 24.541 6.059 5.313 1.00 0.00 WT5 H ATOM 52405 OH2 TIP3 576 9.288 2.459 2.785 1.00 0.00 WT5 O ATOM 52406 H1 TIP3 576 6.853 12.793 -8.874 1.00 0.00 WT5 H ATOM 52407 H2 TIP3 576 8.978 -3.966 10.038 1.00 0.00 WT5 H ATOM 52408 OH2 TIP3 578 -0.896 5.983 5.599 1.00 0.00 WT5 O ATOM 52409 H1 TIP3 578 2.096 2.369 10.362 1.00 0.00 WT5 H ATOM 52410 H2 TIP3 578 1.327 2.899 6.479 1.00 0.00 WT5 H ATOM 52411 OH2 TIP3 584 -9.559 -4.656 -5.203 1.00 0.00 WT5 O ATOM 52412 H1 TIP3 584 -13.864 -8.966 10.720 1.00 0.00 WT5 H ATOM 52413 H2 TIP3 584 6.272 -1.325 -2.502 1.00 0.00 WT5 H ATOM 52414 OH2 TIP3 586 0.420 -7.668 6.787 1.00 0.00 WT5 O ATOM 52415 H1 TIP3 586 -20.510 -7.527 0.467 1.00 0.00 WT5 H ATOM 52416 H2 TIP3 586 19.674 -9.758 12.289 1.00 0.00 WT5 H ATOM 52417 OH2 TIP3 591 1.136 2.506 -1.607 1.00 0.00 WT5 O ATOM 52418 H1 TIP3 591 8.990 -1.291 5.280 1.00 0.00 WT5 H ATOM 52419 H2 TIP3 591 10.706 12.825 -5.588 1.00 0.00 WT5 H ATOM 52420 OH2 TIP3 593 2.843 1.550 2.597 1.00 0.00 WT5 O ATOM 52421 H1 TIP3 593 10.381 8.847 5.135 1.00 0.00 WT5 H ATOM 52422 H2 TIP3 593 -1.298 -6.925 8.387 1.00 0.00 WT5 H ATOM 52423 OH2 TIP3 594 -4.828 0.656 -7.157 1.00 0.00 WT5 O ATOM 52424 H1 TIP3 594 -6.749 8.826 -4.351 1.00 0.00 WT5 H ATOM 52425 H2 TIP3 594 -5.289 -9.349 -17.887 1.00 0.00 WT5 H ATOM 52426 OH2 TIP3 599 -5.431 0.684 1.715 1.00 0.00 WT5 O ATOM 52427 H1 TIP3 599 -1.434 -8.700 -6.463 1.00 0.00 WT5 H ATOM 52428 H2 TIP3 599 -9.852 10.578 -4.632 1.00 0.00 WT5 H ATOM 52429 OH2 TIP3 600 -1.059 5.534 -7.570 1.00 0.00 WT5 O ATOM 52430 H1 TIP3 600 -8.978 9.351 2.722 1.00 0.00 WT5 H ATOM 52431 H2 TIP3 600 -13.958 0.247 -16.404 1.00 0.00 WT5 H ATOM 52432 OH2 TIP3 602 6.289 8.207 -0.305 1.00 0.00 WT5 O ATOM 52433 H1 TIP3 602 25.670 -7.943 -7.129 1.00 0.00 WT5 H ATOM 52434 H2 TIP3 602 0.608 13.599 1.634 1.00 0.00 WT5 H ATOM 52435 OH2 TIP3 606 2.527 -2.768 6.915 1.00 0.00 WT5 O ATOM 52436 H1 TIP3 606 6.752 -6.708 0.719 1.00 0.00 WT5 H ATOM 52437 H2 TIP3 606 -4.525 3.044 9.005 1.00 0.00 WT5 H ATOM 52438 OH2 TIP3 610 -3.572 -2.134 5.857 1.00 0.00 WT5 O ATOM 52439 H1 TIP3 610 -10.450 -5.970 3.838 1.00 0.00 WT5 H ATOM 52440 H2 TIP3 610 3.074 -5.388 1.352 1.00 0.00 WT5 H ATOM 52441 OH2 TIP3 616 3.662 -0.147 0.117 1.00 0.00 WT5 O ATOM 52442 H1 TIP3 616 -13.569 1.963 9.835 1.00 0.00 WT5 H ATOM 52443 H2 TIP3 616 -20.852 -19.010 5.488 1.00 0.00 WT5 H ATOM 52444 OH2 TIP3 626 -1.251 -4.716 2.425 1.00 0.00 WT5 O ATOM 52445 H1 TIP3 626 -0.605 -1.297 13.229 1.00 0.00 WT5 H ATOM 52446 H2 TIP3 626 -3.090 -17.549 2.110 1.00 0.00 WT5 H ATOM 52447 OH2 TIP3 629 -0.886 2.631 6.135 1.00 0.00 WT5 O ATOM 52448 H1 TIP3 629 -19.645 -10.622 -6.097 1.00 0.00 WT5 H ATOM 52449 H2 TIP3 629 22.895 -5.993 -5.951 1.00 0.00 WT5 H ATOM 52450 OH2 TIP3 638 -7.752 -3.156 0.969 1.00 0.00 WT5 O ATOM 52451 H1 TIP3 638 -5.453 -11.087 2.730 1.00 0.00 WT5 H ATOM 52452 H2 TIP3 638 15.500 -2.443 -18.607 1.00 0.00 WT5 H ATOM 52453 OH2 TIP3 639 -3.958 5.562 -0.520 1.00 0.00 WT5 O ATOM 52454 H1 TIP3 639 -4.821 -3.087 -1.235 1.00 0.00 WT5 H ATOM 52455 H2 TIP3 639 -1.625 20.600 3.030 1.00 0.00 WT5 H ATOM 52456 OH2 TIP3 642 5.745 -8.199 -6.838 1.00 0.00 WT5 O ATOM 52457 H1 TIP3 642 -5.721 -18.495 17.289 1.00 0.00 WT5 H ATOM 52458 H2 TIP3 642 4.564 20.447 -4.770 1.00 0.00 WT5 H ATOM 52459 OH2 TIP3 649 4.796 2.716 0.098 1.00 0.00 WT5 O ATOM 52460 H1 TIP3 649 4.758 2.640 0.241 1.00 0.00 WT5 H ATOM 52461 H2 TIP3 649 -6.632 -8.346 18.715 1.00 0.00 WT5 H ATOM 52462 OH2 TIP3 650 -2.993 -3.295 8.704 1.00 0.00 WT5 O ATOM 52463 H1 TIP3 650 2.837 -9.495 1.649 1.00 0.00 WT5 H ATOM 52464 H2 TIP3 650 -15.078 18.281 24.029 1.00 0.00 WT5 H ATOM 52465 OH2 TIP3 662 -5.335 4.065 2.674 1.00 0.00 WT5 O ATOM 52466 H1 TIP3 662 -11.167 8.514 13.239 1.00 0.00 WT5 H ATOM 52467 H2 TIP3 662 -1.009 -3.814 -14.827 1.00 0.00 WT5 H ATOM 52468 OH2 TIP3 666 6.625 2.759 -1.172 1.00 0.00 WT5 O ATOM 52469 H1 TIP3 666 14.719 8.861 -6.633 1.00 0.00 WT5 H ATOM 52470 H2 TIP3 666 5.026 1.301 -0.781 1.00 0.00 WT5 H ATOM 52471 OH2 TIP3 668 3.591 -0.555 -3.361 1.00 0.00 WT5 O ATOM 52472 H1 TIP3 668 22.892 -11.555 -58.076 1.00 0.00 WT5 H ATOM 52473 H2 TIP3 668 4.055 -33.987 9.510 1.00 0.00 WT5 H ATOM 52474 OH2 TIP3 671 -9.100 -6.210 -4.372 1.00 0.00 WT5 O ATOM 52475 H1 TIP3 671 -12.983 5.900 9.085 1.00 0.00 WT5 H ATOM 52476 H2 TIP3 671 -7.111 19.968 -21.288 1.00 0.00 WT5 H ATOM 52477 OH2 TIP3 673 0.657 -0.760 0.274 1.00 0.00 WT5 O ATOM 52478 H1 TIP3 673 1.770 17.978 -5.890 1.00 0.00 WT5 H ATOM 52479 H2 TIP3 673 5.425 -0.200 -16.627 1.00 0.00 WT5 H ATOM 52480 OH2 TIP3 677 0.953 -0.378 -3.525 1.00 0.00 WT5 O ATOM 52481 H1 TIP3 677 -28.988 -7.636 12.080 1.00 0.00 WT5 H ATOM 52482 H2 TIP3 677 13.343 1.700 11.429 1.00 0.00 WT5 H ATOM 52483 OH2 TIP3 678 -1.372 -1.233 -2.756 1.00 0.00 WT5 O ATOM 52484 H1 TIP3 678 -0.889 5.433 27.331 1.00 0.00 WT5 H ATOM 52485 H2 TIP3 678 28.545 4.087 -13.742 1.00 0.00 WT5 H ATOM 52486 OH2 TIP3 684 7.067 -3.277 -0.262 1.00 0.00 WT5 O ATOM 52487 H1 TIP3 684 6.118 -2.684 -5.113 1.00 0.00 WT5 H ATOM 52488 H2 TIP3 684 6.061 -1.355 -2.188 1.00 0.00 WT5 H ATOM 52489 OH2 TIP3 688 10.714 -3.824 -1.722 1.00 0.00 WT5 O ATOM 52490 H1 TIP3 688 14.554 -16.273 7.426 1.00 0.00 WT5 H ATOM 52491 H2 TIP3 688 14.264 -14.857 5.185 1.00 0.00 WT5 H ATOM 52492 OH2 TIP3 691 3.524 -5.415 3.069 1.00 0.00 WT5 O ATOM 52493 H1 TIP3 691 8.869 4.661 -10.521 1.00 0.00 WT5 H ATOM 52494 H2 TIP3 691 4.545 -15.673 -11.378 1.00 0.00 WT5 H ATOM 52495 OH2 TIP3 704 6.394 -0.924 0.264 1.00 0.00 WT5 O ATOM 52496 H1 TIP3 704 8.165 20.495 -11.979 1.00 0.00 WT5 H ATOM 52497 H2 TIP3 704 5.410 2.977 -0.706 1.00 0.00 WT5 H ATOM 52498 OH2 TIP3 711 5.888 -3.243 1.817 1.00 0.00 WT5 O ATOM 52499 H1 TIP3 711 14.561 -8.625 11.580 1.00 0.00 WT5 H ATOM 52500 H2 TIP3 711 -5.201 6.898 -11.693 1.00 0.00 WT5 H ATOM 52501 OH2 TIP3 715 2.102 4.896 -2.314 1.00 0.00 WT5 O ATOM 52502 H1 TIP3 715 -25.845 14.736 1.516 1.00 0.00 WT5 H ATOM 52503 H2 TIP3 715 15.323 -19.350 14.147 1.00 0.00 WT5 H ATOM 52504 OH2 TIP3 717 2.610 -1.039 0.050 1.00 0.00 WT5 O ATOM 52505 H1 TIP3 717 -9.481 -8.164 -2.463 1.00 0.00 WT5 H ATOM 52506 H2 TIP3 717 7.431 1.364 -9.741 1.00 0.00 WT5 H ATOM 52507 OH2 TIP3 721 0.191 -0.829 3.978 1.00 0.00 WT5 O ATOM 52508 H1 TIP3 721 0.446 6.754 -13.108 1.00 0.00 WT5 H ATOM 52509 H2 TIP3 721 -0.244 -8.324 -6.534 1.00 0.00 WT5 H ATOM 52510 OH2 TIP3 722 -0.051 1.162 -0.533 1.00 0.00 WT5 O ATOM 52511 H1 TIP3 722 0.636 11.650 0.564 1.00 0.00 WT5 H ATOM 52512 H2 TIP3 722 -8.106 -20.333 -0.564 1.00 0.00 WT5 H ATOM 52513 OH2 TIP3 733 14.360 0.050 5.208 1.00 0.00 WT5 O ATOM 52514 H1 TIP3 733 0.695 21.344 3.887 1.00 0.00 WT5 H ATOM 52515 H2 TIP3 733 -3.426 10.727 -10.495 1.00 0.00 WT5 H ATOM 52516 OH2 TIP3 738 -0.900 1.342 1.518 1.00 0.00 WT5 O ATOM 52517 H1 TIP3 738 2.333 3.481 2.761 1.00 0.00 WT5 H ATOM 52518 H2 TIP3 738 7.364 -6.326 -6.185 1.00 0.00 WT5 H ATOM 52519 OH2 TIP3 746 -1.140 6.196 -3.081 1.00 0.00 WT5 O ATOM 52520 H1 TIP3 746 17.006 25.749 -31.331 1.00 0.00 WT5 H ATOM 52521 H2 TIP3 746 -3.341 5.288 -5.634 1.00 0.00 WT5 H ATOM 52522 OH2 TIP3 753 0.429 5.272 4.613 1.00 0.00 WT5 O ATOM 52523 H1 TIP3 753 2.234 -4.227 -2.968 1.00 0.00 WT5 H ATOM 52524 H2 TIP3 753 0.654 6.074 -8.044 1.00 0.00 WT5 H ATOM 52525 OH2 TIP3 754 4.013 0.047 -3.236 1.00 0.00 WT5 O ATOM 52526 H1 TIP3 754 9.362 -17.384 3.701 1.00 0.00 WT5 H ATOM 52527 H2 TIP3 754 7.706 -18.359 -5.759 1.00 0.00 WT5 H ATOM 52528 OH2 TIP3 761 -6.004 3.258 -3.186 1.00 0.00 WT5 O ATOM 52529 H1 TIP3 761 -3.941 -12.178 1.364 1.00 0.00 WT5 H ATOM 52530 H2 TIP3 761 -12.513 6.667 -7.676 1.00 0.00 WT5 H ATOM 52531 OH2 TIP3 766 -0.442 -3.275 -2.407 1.00 0.00 WT5 O ATOM 52532 H1 TIP3 766 -7.043 -26.340 -3.765 1.00 0.00 WT5 H ATOM 52533 H2 TIP3 766 -2.431 -12.687 -3.802 1.00 0.00 WT5 H ATOM 52534 OH2 TIP3 768 0.554 -3.240 -0.841 1.00 0.00 WT5 O ATOM 52535 H1 TIP3 768 7.612 5.883 17.808 1.00 0.00 WT5 H ATOM 52536 H2 TIP3 768 7.331 -21.297 5.034 1.00 0.00 WT5 H ATOM 52537 OH2 TIP3 771 3.084 4.507 5.292 1.00 0.00 WT5 O ATOM 52538 H1 TIP3 771 6.996 11.019 11.782 1.00 0.00 WT5 H ATOM 52539 H2 TIP3 771 0.358 4.367 0.516 1.00 0.00 WT5 H ATOM 52540 OH2 TIP3 773 4.117 -1.305 1.051 1.00 0.00 WT5 O ATOM 52541 H1 TIP3 773 -0.963 -20.151 -25.451 1.00 0.00 WT5 H ATOM 52542 H2 TIP3 773 3.432 -5.654 -5.845 1.00 0.00 WT5 H ATOM 52543 OH2 TIP3 778 5.118 3.347 0.112 1.00 0.00 WT5 O ATOM 52544 H1 TIP3 778 -0.142 -10.522 0.697 1.00 0.00 WT5 H ATOM 52545 H2 TIP3 778 -4.373 -14.481 -2.213 1.00 0.00 WT5 H ATOM 52546 OH2 TIP3 779 -2.444 2.303 -1.327 1.00 0.00 WT5 O ATOM 52547 H1 TIP3 779 5.452 13.606 -19.187 1.00 0.00 WT5 H ATOM 52548 H2 TIP3 779 13.921 -4.043 3.691 1.00 0.00 WT5 H ATOM 52549 OH2 TIP3 792 2.226 6.226 2.446 1.00 0.00 WT5 O ATOM 52550 H1 TIP3 792 2.759 18.776 -5.420 1.00 0.00 WT5 H ATOM 52551 H2 TIP3 792 13.154 -8.609 -0.434 1.00 0.00 WT5 H ATOM 52552 OH2 TIP3 807 5.681 -4.108 4.721 1.00 0.00 WT5 O ATOM 52553 H1 TIP3 807 7.087 11.055 -4.195 1.00 0.00 WT5 H ATOM 52554 H2 TIP3 807 5.099 -1.911 4.332 1.00 0.00 WT5 H ATOM 52555 OH2 TIP3 808 0.849 -4.996 -0.361 1.00 0.00 WT5 O ATOM 52556 H1 TIP3 808 17.225 -6.223 -3.805 1.00 0.00 WT5 H ATOM 52557 H2 TIP3 808 -2.631 11.516 7.506 1.00 0.00 WT5 H ATOM 52558 OH2 TIP3 812 -0.165 5.378 -12.347 1.00 0.00 WT5 O ATOM 52559 H1 TIP3 812 -13.604 -14.767 -7.989 1.00 0.00 WT5 H ATOM 52560 H2 TIP3 812 -1.726 17.030 8.100 1.00 0.00 WT5 H ATOM 52561 OH2 TIP3 814 -6.126 0.931 1.088 1.00 0.00 WT5 O ATOM 52562 H1 TIP3 814 -16.962 -26.386 -6.487 1.00 0.00 WT5 H ATOM 52563 H2 TIP3 814 -8.446 -2.145 -1.170 1.00 0.00 WT5 H ATOM 52564 OH2 TIP3 820 4.723 -7.017 -2.636 1.00 0.00 WT5 O ATOM 52565 H1 TIP3 820 -10.637 -12.993 -13.337 1.00 0.00 WT5 H ATOM 52566 H2 TIP3 820 17.342 -13.272 -1.040 1.00 0.00 WT5 H ATOM 52567 OH2 TIP3 822 0.784 -0.921 -2.197 1.00 0.00 WT5 O ATOM 52568 H1 TIP3 822 9.511 -3.204 6.574 1.00 0.00 WT5 H ATOM 52569 H2 TIP3 822 1.776 -0.996 -11.068 1.00 0.00 WT5 H ATOM 52570 OH2 TIP3 824 -2.684 2.699 -2.577 1.00 0.00 WT5 O ATOM 52571 H1 TIP3 824 -1.998 7.432 -5.728 1.00 0.00 WT5 H ATOM 52572 H2 TIP3 824 -7.498 3.878 0.612 1.00 0.00 WT5 H ATOM 52573 OH2 TIP3 827 -1.717 -4.143 -8.446 1.00 0.00 WT5 O ATOM 52574 H1 TIP3 827 -2.239 -7.947 -5.844 1.00 0.00 WT5 H ATOM 52575 H2 TIP3 827 1.559 -12.117 -5.741 1.00 0.00 WT5 H ATOM 52576 OH2 TIP3 829 8.465 -1.121 -3.072 1.00 0.00 WT5 O ATOM 52577 H1 TIP3 829 9.526 3.549 -5.187 1.00 0.00 WT5 H ATOM 52578 H2 TIP3 829 15.047 22.755 -12.071 1.00 0.00 WT5 H ATOM 52579 OH2 TIP3 834 -0.700 -0.025 -2.489 1.00 0.00 WT5 O ATOM 52580 H1 TIP3 834 4.148 -15.699 3.857 1.00 0.00 WT5 H ATOM 52581 H2 TIP3 834 2.610 5.483 18.041 1.00 0.00 WT5 H ATOM 52582 OH2 TIP3 836 -0.439 6.319 -1.624 1.00 0.00 WT5 O ATOM 52583 H1 TIP3 836 -2.506 28.804 -5.954 1.00 0.00 WT5 H ATOM 52584 H2 TIP3 836 -6.584 18.341 -4.913 1.00 0.00 WT5 H ATOM 52585 OH2 TIP3 843 6.446 -5.612 3.838 1.00 0.00 WT5 O ATOM 52586 H1 TIP3 843 -5.913 0.685 6.826 1.00 0.00 WT5 H ATOM 52587 H2 TIP3 843 -19.671 3.769 5.306 1.00 0.00 WT5 H ATOM 52588 OH2 TIP3 846 0.682 0.346 2.862 1.00 0.00 WT5 O ATOM 52589 H1 TIP3 846 -8.231 26.153 11.197 1.00 0.00 WT5 H ATOM 52590 H2 TIP3 846 -5.449 3.034 5.945 1.00 0.00 WT5 H ATOM 52591 OH2 TIP3 852 -5.396 5.775 3.559 1.00 0.00 WT5 O ATOM 52592 H1 TIP3 852 -3.193 -0.668 -7.927 1.00 0.00 WT5 H ATOM 52593 H2 TIP3 852 1.696 -3.363 8.168 1.00 0.00 WT5 H ATOM 52594 OH2 TIP3 854 2.260 1.237 0.254 1.00 0.00 WT5 O ATOM 52595 H1 TIP3 854 -7.919 -8.647 7.103 1.00 0.00 WT5 H ATOM 52596 H2 TIP3 854 17.605 -8.042 0.130 1.00 0.00 WT5 H ATOM 52597 OH2 TIP3 860 -3.806 4.715 1.699 1.00 0.00 WT5 O ATOM 52598 H1 TIP3 860 -3.399 15.395 8.307 1.00 0.00 WT5 H ATOM 52599 H2 TIP3 860 -6.966 19.883 12.935 1.00 0.00 WT5 H ATOM 52600 OH2 TIP3 868 -0.273 -2.952 -1.966 1.00 0.00 WT5 O ATOM 52601 H1 TIP3 868 7.482 -8.225 24.494 1.00 0.00 WT5 H ATOM 52602 H2 TIP3 868 7.729 8.552 -7.368 1.00 0.00 WT5 H ATOM 52603 OH2 TIP3 878 -2.175 0.434 -3.620 1.00 0.00 WT5 O ATOM 52604 H1 TIP3 878 -13.301 24.120 -10.941 1.00 0.00 WT5 H ATOM 52605 H2 TIP3 878 10.844 4.736 11.094 1.00 0.00 WT5 H ATOM 52606 OH2 TIP3 880 6.122 1.672 -1.053 1.00 0.00 WT5 O ATOM 52607 H1 TIP3 880 -11.246 0.456 6.769 1.00 0.00 WT5 H ATOM 52608 H2 TIP3 880 4.562 -2.592 -2.547 1.00 0.00 WT5 H ATOM 52609 OH2 TIP3 884 -3.790 -2.427 3.515 1.00 0.00 WT5 O ATOM 52610 H1 TIP3 884 12.617 -17.816 -7.154 1.00 0.00 WT5 H ATOM 52611 H2 TIP3 884 -12.633 0.776 17.318 1.00 0.00 WT5 H ATOM 52612 OH2 TIP3 889 3.607 2.419 4.406 1.00 0.00 WT5 O ATOM 52613 H1 TIP3 889 0.644 -4.339 5.730 1.00 0.00 WT5 H ATOM 52614 H2 TIP3 889 -9.739 8.282 -8.950 1.00 0.00 WT5 H ATOM 52615 OH2 TIP3 892 2.459 3.169 2.572 1.00 0.00 WT5 O ATOM 52616 H1 TIP3 892 -6.284 -22.359 7.577 1.00 0.00 WT5 H ATOM 52617 H2 TIP3 892 -18.831 -2.902 -21.735 1.00 0.00 WT5 H ATOM 52618 OH2 TIP3 895 -3.967 -3.510 3.861 1.00 0.00 WT5 O ATOM 52619 H1 TIP3 895 2.970 -5.307 -12.587 1.00 0.00 WT5 H ATOM 52620 H2 TIP3 895 -2.767 9.148 6.963 1.00 0.00 WT5 H ATOM 52621 OH2 TIP3 898 -7.362 -0.038 -6.109 1.00 0.00 WT5 O ATOM 52622 H1 TIP3 898 9.243 -6.432 -2.801 1.00 0.00 WT5 H ATOM 52623 H2 TIP3 898 -6.992 32.246 2.888 1.00 0.00 WT5 H ATOM 52624 OH2 TIP3 901 -2.240 1.560 3.980 1.00 0.00 WT5 O ATOM 52625 H1 TIP3 901 10.396 9.268 19.178 1.00 0.00 WT5 H ATOM 52626 H2 TIP3 901 -13.430 6.357 22.518 1.00 0.00 WT5 H ATOM 52627 OH2 TIP3 908 3.629 -1.597 5.565 1.00 0.00 WT5 O ATOM 52628 H1 TIP3 908 4.226 -5.821 16.991 1.00 0.00 WT5 H ATOM 52629 H2 TIP3 908 11.646 -0.424 6.032 1.00 0.00 WT5 H ATOM 52630 OH2 TIP3 919 4.072 0.959 -4.544 1.00 0.00 WT5 O ATOM 52631 H1 TIP3 919 8.624 -19.172 8.114 1.00 0.00 WT5 H ATOM 52632 H2 TIP3 919 14.194 -7.796 -9.519 1.00 0.00 WT5 H ATOM 52633 OH2 TIP3 928 -6.752 -1.550 7.406 1.00 0.00 WT5 O ATOM 52634 H1 TIP3 928 24.983 -5.756 16.876 1.00 0.00 WT5 H ATOM 52635 H2 TIP3 928 -2.078 -2.229 8.378 1.00 0.00 WT5 H ATOM 52636 OH2 TIP3 930 0.577 -8.896 1.902 1.00 0.00 WT5 O ATOM 52637 H1 TIP3 930 -8.250 4.860 -3.517 1.00 0.00 WT5 H ATOM 52638 H2 TIP3 930 -6.168 0.913 1.556 1.00 0.00 WT5 H ATOM 52639 OH2 TIP3 933 -0.666 0.375 -6.726 1.00 0.00 WT5 O ATOM 52640 H1 TIP3 933 6.422 18.436 -28.811 1.00 0.00 WT5 H ATOM 52641 H2 TIP3 933 0.106 2.890 -8.409 1.00 0.00 WT5 H ATOM 52642 OH2 TIP3 934 -5.816 -1.270 -3.850 1.00 0.00 WT5 O ATOM 52643 H1 TIP3 934 -11.301 -4.444 -6.463 1.00 0.00 WT5 H ATOM 52644 H2 TIP3 934 -19.422 -6.066 17.712 1.00 0.00 WT5 H ATOM 52645 OH2 TIP3 936 -1.512 0.489 -0.919 1.00 0.00 WT5 O ATOM 52646 H1 TIP3 936 2.205 12.671 -13.617 1.00 0.00 WT5 H ATOM 52647 H2 TIP3 936 0.403 -8.360 13.885 1.00 0.00 WT5 H ATOM 52648 OH2 TIP3 940 1.574 -1.217 -2.891 1.00 0.00 WT5 O ATOM 52649 H1 TIP3 940 -10.850 14.098 -4.767 1.00 0.00 WT5 H ATOM 52650 H2 TIP3 940 26.851 2.630 8.410 1.00 0.00 WT5 H ATOM 52651 OH2 TIP3 944 -3.289 1.205 0.835 1.00 0.00 WT5 O ATOM 52652 H1 TIP3 944 -5.661 0.650 -0.682 1.00 0.00 WT5 H ATOM 52653 H2 TIP3 944 -6.850 1.080 -3.790 1.00 0.00 WT5 H ATOM 52654 OH2 TIP3 954 -0.221 -0.217 -3.602 1.00 0.00 WT5 O ATOM 52655 H1 TIP3 954 6.840 13.332 -10.925 1.00 0.00 WT5 H ATOM 52656 H2 TIP3 954 -12.150 -25.557 2.885 1.00 0.00 WT5 H ATOM 52657 OH2 TIP3 958 0.085 -1.245 1.662 1.00 0.00 WT5 O ATOM 52658 H1 TIP3 958 -9.737 2.410 -0.812 1.00 0.00 WT5 H ATOM 52659 H2 TIP3 958 6.062 -2.541 3.474 1.00 0.00 WT5 H ATOM 52660 OH2 TIP3 960 -7.339 -0.670 -7.118 1.00 0.00 WT5 O ATOM 52661 H1 TIP3 960 1.235 9.184 -13.503 1.00 0.00 WT5 H ATOM 52662 H2 TIP3 960 -12.757 -8.530 6.976 1.00 0.00 WT5 H ATOM 52663 OH2 TIP3 969 7.132 -1.486 2.931 1.00 0.00 WT5 O ATOM 52664 H1 TIP3 969 -6.690 -23.045 -3.031 1.00 0.00 WT5 H ATOM 52665 H2 TIP3 969 12.323 -2.779 22.861 1.00 0.00 WT5 H ATOM 52666 OH2 TIP3 978 -1.011 -6.526 -5.204 1.00 0.00 WT5 O ATOM 52667 H1 TIP3 978 -15.072 -3.048 12.633 1.00 0.00 WT5 H ATOM 52668 H2 TIP3 978 -9.583 27.994 9.936 1.00 0.00 WT5 H ATOM 52669 OH2 TIP3 981 -3.254 4.961 3.546 1.00 0.00 WT5 O ATOM 52670 H1 TIP3 981 -5.903 10.549 7.460 1.00 0.00 WT5 H ATOM 52671 H2 TIP3 981 17.276 -1.274 12.197 1.00 0.00 WT5 H ATOM 52672 OH2 TIP3 982 4.797 -2.665 2.402 1.00 0.00 WT5 O ATOM 52673 H1 TIP3 982 5.727 -13.099 16.526 1.00 0.00 WT5 H ATOM 52674 H2 TIP3 982 15.605 15.452 -4.758 1.00 0.00 WT5 H ATOM 52675 OH2 TIP3 983 -0.206 -2.567 5.034 1.00 0.00 WT5 O ATOM 52676 H1 TIP3 983 2.092 -9.455 13.839 1.00 0.00 WT5 H ATOM 52677 H2 TIP3 983 1.295 -9.374 14.810 1.00 0.00 WT5 H ATOM 52678 OH2 TIP3 986 7.612 0.598 6.924 1.00 0.00 WT5 O ATOM 52679 H1 TIP3 986 -8.630 7.099 6.738 1.00 0.00 WT5 H ATOM 52680 H2 TIP3 986 0.949 -9.969 -5.153 1.00 0.00 WT5 H ATOM 52681 OH2 TIP3 999 -1.495 -2.958 -8.516 1.00 0.00 WT5 O ATOM 52682 H1 TIP3 999 7.044 3.321 -16.317 1.00 0.00 WT5 H ATOM 52683 H2 TIP3 999 8.832 -4.179 15.022 1.00 0.00 WT5 H ATOM 52684 OH2 TIP3 1013 1.649 0.253 4.742 1.00 0.00 WT5 O ATOM 52685 H1 TIP3 1013 -2.589 -4.506 -1.005 1.00 0.00 WT5 H ATOM 52686 H2 TIP3 1013 33.499 -9.434 20.133 1.00 0.00 WT5 H ATOM 52687 OH2 TIP3 1018 4.777 -1.740 -0.940 1.00 0.00 WT5 O ATOM 52688 H1 TIP3 1018 -4.006 -13.203 -0.496 1.00 0.00 WT5 H ATOM 52689 H2 TIP3 1018 5.629 4.306 -12.241 1.00 0.00 WT5 H ATOM 52690 OH2 TIP3 1019 -2.779 -3.691 -4.453 1.00 0.00 WT5 O ATOM 52691 H1 TIP3 1019 -9.531 10.411 13.710 1.00 0.00 WT5 H ATOM 52692 H2 TIP3 1019 35.250 -3.359 10.948 1.00 0.00 WT5 H ATOM 52693 OH2 TIP3 1024 -0.345 7.436 -2.854 1.00 0.00 WT5 O ATOM 52694 H1 TIP3 1024 4.975 -15.925 9.894 1.00 0.00 WT5 H ATOM 52695 H2 TIP3 1024 -3.247 10.094 5.628 1.00 0.00 WT5 H ATOM 52696 OH2 TIP3 1025 -3.742 4.552 8.187 1.00 0.00 WT5 O ATOM 52697 H1 TIP3 1025 -5.468 5.963 1.056 1.00 0.00 WT5 H ATOM 52698 H2 TIP3 1025 2.783 7.634 8.694 1.00 0.00 WT5 H ATOM 52699 OH2 TIP3 1043 6.742 -0.038 5.828 1.00 0.00 WT5 O ATOM 52700 H1 TIP3 1043 4.720 -14.764 5.543 1.00 0.00 WT5 H ATOM 52701 H2 TIP3 1043 -10.466 -12.489 0.489 1.00 0.00 WT5 H ATOM 52702 OH2 TIP3 1048 -10.096 -0.217 4.330 1.00 0.00 WT5 O ATOM 52703 H1 TIP3 1048 -7.912 -38.588 14.229 1.00 0.00 WT5 H ATOM 52704 H2 TIP3 1048 -14.425 12.250 -5.645 1.00 0.00 WT5 H ATOM 52705 OH2 TIP3 1052 -3.075 0.110 -1.941 1.00 0.00 WT5 O ATOM 52706 H1 TIP3 1052 8.821 17.972 -13.192 1.00 0.00 WT5 H ATOM 52707 H2 TIP3 1052 -20.109 -11.243 12.454 1.00 0.00 WT5 H ATOM 52708 OH2 TIP3 1061 -3.524 -1.316 -8.050 1.00 0.00 WT5 O ATOM 52709 H1 TIP3 1061 -20.310 -6.480 -15.048 1.00 0.00 WT5 H ATOM 52710 H2 TIP3 1061 13.538 7.882 -20.609 1.00 0.00 WT5 H ATOM 52711 OH2 TIP3 1066 2.877 4.532 -5.760 1.00 0.00 WT5 O ATOM 52712 H1 TIP3 1066 -9.195 11.004 -17.213 1.00 0.00 WT5 H ATOM 52713 H2 TIP3 1066 19.506 7.023 -19.749 1.00 0.00 WT5 H ATOM 52714 OH2 TIP3 1071 2.576 0.325 1.118 1.00 0.00 WT5 O ATOM 52715 H1 TIP3 1071 6.648 7.390 -8.223 1.00 0.00 WT5 H ATOM 52716 H2 TIP3 1071 8.611 5.510 -7.540 1.00 0.00 WT5 H ATOM 52717 OH2 TIP3 1076 1.843 -0.645 1.963 1.00 0.00 WT5 O ATOM 52718 H1 TIP3 1076 3.012 5.367 -1.860 1.00 0.00 WT5 H ATOM 52719 H2 TIP3 1076 -10.361 -15.532 -2.219 1.00 0.00 WT5 H ATOM 52720 OH2 TIP3 1077 -0.091 3.409 1.025 1.00 0.00 WT5 O ATOM 52721 H1 TIP3 1077 6.712 14.167 -15.879 1.00 0.00 WT5 H ATOM 52722 H2 TIP3 1077 19.927 -1.596 1.618 1.00 0.00 WT5 H ATOM 52723 OH2 TIP3 1098 1.742 7.911 -2.685 1.00 0.00 WT5 O ATOM 52724 H1 TIP3 1098 7.107 0.426 5.847 1.00 0.00 WT5 H ATOM 52725 H2 TIP3 1098 7.217 -2.202 7.688 1.00 0.00 WT5 H ATOM 52726 OH2 TIP3 1104 -0.797 -3.400 -1.499 1.00 0.00 WT5 O ATOM 52727 H1 TIP3 1104 15.555 4.192 -20.183 1.00 0.00 WT5 H ATOM 52728 H2 TIP3 1104 -11.838 0.249 15.294 1.00 0.00 WT5 H ATOM 52729 OH2 TIP3 1122 0.607 5.848 0.793 1.00 0.00 WT5 O ATOM 52730 H1 TIP3 1122 8.876 13.314 -7.656 1.00 0.00 WT5 H ATOM 52731 H2 TIP3 1122 -13.815 5.276 -6.971 1.00 0.00 WT5 H ATOM 52732 OH2 TIP3 1125 -2.893 7.459 2.088 1.00 0.00 WT5 O ATOM 52733 H1 TIP3 1125 -7.240 6.067 0.755 1.00 0.00 WT5 H ATOM 52734 H2 TIP3 1125 -0.515 3.047 -0.371 1.00 0.00 WT5 H ATOM 52735 OH2 TIP3 1138 5.364 1.309 -1.510 1.00 0.00 WT5 O ATOM 52736 H1 TIP3 1138 -18.111 9.947 16.737 1.00 0.00 WT5 H ATOM 52737 H2 TIP3 1138 14.227 0.956 4.565 1.00 0.00 WT5 H ATOM 52738 OH2 TIP3 1153 2.156 6.866 -3.550 1.00 0.00 WT5 O ATOM 52739 H1 TIP3 1153 -5.092 5.225 -9.531 1.00 0.00 WT5 H ATOM 52740 H2 TIP3 1153 1.116 7.845 -7.448 1.00 0.00 WT5 H ATOM 52741 OH2 TIP3 1154 6.539 -3.999 7.016 1.00 0.00 WT5 O ATOM 52742 H1 TIP3 1154 1.045 18.356 -16.778 1.00 0.00 WT5 H ATOM 52743 H2 TIP3 1154 -15.409 12.043 -9.257 1.00 0.00 WT5 H ATOM 52744 OH2 TIP3 1163 -3.054 1.765 -1.782 1.00 0.00 WT5 O ATOM 52745 H1 TIP3 1163 19.502 10.554 10.056 1.00 0.00 WT5 H ATOM 52746 H2 TIP3 1163 -4.306 -35.029 0.329 1.00 0.00 WT5 H ATOM 52747 OH2 TIP3 1168 1.908 2.388 -11.626 1.00 0.00 WT5 O ATOM 52748 H1 TIP3 1168 1.485 9.363 -7.859 1.00 0.00 WT5 H ATOM 52749 H2 TIP3 1168 -2.248 -16.513 -19.313 1.00 0.00 WT5 H ATOM 52750 OH2 TIP3 1173 -0.719 -0.540 1.506 1.00 0.00 WT5 O ATOM 52751 H1 TIP3 1173 -3.972 16.125 -11.458 1.00 0.00 WT5 H ATOM 52752 H2 TIP3 1173 8.868 -18.448 -7.885 1.00 0.00 WT5 H ATOM 52753 OH2 TIP3 1182 7.312 -3.357 -1.330 1.00 0.00 WT5 O ATOM 52754 H1 TIP3 1182 -1.546 4.024 1.630 1.00 0.00 WT5 H ATOM 52755 H2 TIP3 1182 15.525 -7.842 6.602 1.00 0.00 WT5 H ATOM 52756 OH2 TIP3 1192 8.371 2.098 1.576 1.00 0.00 WT5 O ATOM 52757 H1 TIP3 1192 1.425 13.947 -0.591 1.00 0.00 WT5 H ATOM 52758 H2 TIP3 1192 18.385 6.660 9.344 1.00 0.00 WT5 H ATOM 52759 OH2 TIP3 1194 -3.095 2.754 3.486 1.00 0.00 WT5 O ATOM 52760 H1 TIP3 1194 8.566 -18.534 8.628 1.00 0.00 WT5 H ATOM 52761 H2 TIP3 1194 2.391 -6.354 6.108 1.00 0.00 WT5 H ATOM 52762 OH2 TIP3 1195 1.994 6.896 0.274 1.00 0.00 WT5 O ATOM 52763 H1 TIP3 1195 1.630 -2.073 -4.226 1.00 0.00 WT5 H ATOM 52764 H2 TIP3 1195 15.867 13.399 -0.991 1.00 0.00 WT5 H ATOM 52765 OH2 TIP3 1204 8.521 3.149 -4.054 1.00 0.00 WT5 O ATOM 52766 H1 TIP3 1204 15.189 -15.698 -5.381 1.00 0.00 WT5 H ATOM 52767 H2 TIP3 1204 -1.808 9.579 4.823 1.00 0.00 WT5 H ATOM 52768 OH2 TIP3 1207 5.943 -3.373 -0.916 1.00 0.00 WT5 O ATOM 52769 H1 TIP3 1207 9.766 -6.907 -25.999 1.00 0.00 WT5 H ATOM 52770 H2 TIP3 1207 2.501 -0.400 23.648 1.00 0.00 WT5 H ATOM 52771 OH2 TIP3 1209 4.001 -1.232 -6.660 1.00 0.00 WT5 O ATOM 52772 H1 TIP3 1209 5.846 -14.484 -10.540 1.00 0.00 WT5 H ATOM 52773 H2 TIP3 1209 -10.302 -1.609 -6.574 1.00 0.00 WT5 H ATOM 52774 OH2 TIP3 1213 0.735 -1.987 -0.445 1.00 0.00 WT5 O ATOM 52775 H1 TIP3 1213 -28.017 4.026 9.468 1.00 0.00 WT5 H ATOM 52776 H2 TIP3 1213 -2.295 -8.972 3.446 1.00 0.00 WT5 H ATOM 52777 OH2 TIP3 1216 7.924 -1.100 1.682 1.00 0.00 WT5 O ATOM 52778 H1 TIP3 1216 -3.941 7.203 -13.073 1.00 0.00 WT5 H ATOM 52779 H2 TIP3 1216 9.517 6.883 11.490 1.00 0.00 WT5 H ATOM 52780 OH2 TIP3 1217 -3.459 -0.739 2.515 1.00 0.00 WT5 O ATOM 52781 H1 TIP3 1217 13.378 4.913 -5.553 1.00 0.00 WT5 H ATOM 52782 H2 TIP3 1217 -14.935 6.471 2.976 1.00 0.00 WT5 H ATOM 52783 OH2 TIP3 1235 -2.322 -2.549 -2.703 1.00 0.00 WT5 O ATOM 52784 H1 TIP3 1235 -3.450 27.325 -13.630 1.00 0.00 WT5 H ATOM 52785 H2 TIP3 1235 25.291 -11.308 -8.537 1.00 0.00 WT5 H ATOM 52786 OH2 TIP3 1240 6.568 -2.149 0.349 1.00 0.00 WT5 O ATOM 52787 H1 TIP3 1240 12.913 4.302 8.667 1.00 0.00 WT5 H ATOM 52788 H2 TIP3 1240 -0.480 5.929 -5.137 1.00 0.00 WT5 H ATOM 52789 OH2 TIP3 1252 -0.103 2.132 6.280 1.00 0.00 WT5 O ATOM 52790 H1 TIP3 1252 12.643 -19.724 -4.423 1.00 0.00 WT5 H ATOM 52791 H2 TIP3 1252 -21.045 2.697 15.828 1.00 0.00 WT5 H ATOM 52792 OH2 TIP3 1253 5.714 -1.258 9.730 1.00 0.00 WT5 O ATOM 52793 H1 TIP3 1253 12.691 -8.281 6.848 1.00 0.00 WT5 H ATOM 52794 H2 TIP3 1253 12.011 -5.068 3.401 1.00 0.00 WT5 H ATOM 52795 OH2 TIP3 1258 1.795 -0.588 -6.357 1.00 0.00 WT5 O ATOM 52796 H1 TIP3 1258 -8.732 -5.290 -9.005 1.00 0.00 WT5 H ATOM 52797 H2 TIP3 1258 18.298 -7.179 9.053 1.00 0.00 WT5 H ATOM 52798 OH2 TIP3 1264 -3.624 8.345 -0.105 1.00 0.00 WT5 O ATOM 52799 H1 TIP3 1264 5.980 10.923 4.034 1.00 0.00 WT5 H ATOM 52800 H2 TIP3 1264 -0.851 10.164 -1.541 1.00 0.00 WT5 H ATOM 52801 OH2 TIP3 1269 4.168 3.387 -4.305 1.00 0.00 WT5 O ATOM 52802 H1 TIP3 1269 21.303 6.283 4.231 1.00 0.00 WT5 H ATOM 52803 H2 TIP3 1269 15.475 5.113 -1.000 1.00 0.00 WT5 H ATOM 52804 OH2 TIP3 1277 1.566 6.394 3.572 1.00 0.00 WT5 O ATOM 52805 H1 TIP3 1277 10.085 -2.470 -3.491 1.00 0.00 WT5 H ATOM 52806 H2 TIP3 1277 -6.237 16.191 9.256 1.00 0.00 WT5 H ATOM 52807 OH2 TIP3 1278 3.123 -0.532 5.247 1.00 0.00 WT5 O ATOM 52808 H1 TIP3 1278 -1.856 4.986 0.531 1.00 0.00 WT5 H ATOM 52809 H2 TIP3 1278 13.792 -20.025 -5.044 1.00 0.00 WT5 H ATOM 52810 OH2 TIP3 1281 -0.829 8.470 -1.621 1.00 0.00 WT5 O ATOM 52811 H1 TIP3 1281 -0.980 12.619 3.539 1.00 0.00 WT5 H ATOM 52812 H2 TIP3 1281 -4.322 -9.079 -19.587 1.00 0.00 WT5 H ATOM 52813 OH2 TIP3 1285 -2.375 -1.238 2.036 1.00 0.00 WT5 O ATOM 52814 H1 TIP3 1285 -0.792 8.812 13.415 1.00 0.00 WT5 H ATOM 52815 H2 TIP3 1285 -12.307 14.768 4.950 1.00 0.00 WT5 H ATOM 52816 OH2 TIP3 1287 -3.475 0.758 2.014 1.00 0.00 WT5 O ATOM 52817 H1 TIP3 1287 -12.352 31.848 -10.757 1.00 0.00 WT5 H ATOM 52818 H2 TIP3 1287 -1.305 -20.896 -4.028 1.00 0.00 WT5 H ATOM 52819 OH2 TIP3 1295 0.683 7.828 -2.280 1.00 0.00 WT5 O ATOM 52820 H1 TIP3 1295 0.859 3.404 -3.829 1.00 0.00 WT5 H ATOM 52821 H2 TIP3 1295 -9.953 1.587 -6.568 1.00 0.00 WT5 H ATOM 52822 OH2 TIP3 1298 2.250 5.856 2.045 1.00 0.00 WT5 O ATOM 52823 H1 TIP3 1298 0.603 20.834 -2.345 1.00 0.00 WT5 H ATOM 52824 H2 TIP3 1298 -8.970 -2.832 -11.049 1.00 0.00 WT5 H ATOM 52825 OH2 TIP3 1301 -2.847 3.064 0.874 1.00 0.00 WT5 O ATOM 52826 H1 TIP3 1301 -11.603 -7.604 16.269 1.00 0.00 WT5 H ATOM 52827 H2 TIP3 1301 -12.539 1.961 15.091 1.00 0.00 WT5 H ATOM 52828 OH2 TIP3 1303 -1.878 -2.095 1.638 1.00 0.00 WT5 O ATOM 52829 H1 TIP3 1303 1.390 -4.963 14.505 1.00 0.00 WT5 H ATOM 52830 H2 TIP3 1303 -6.868 2.363 -5.152 1.00 0.00 WT5 H ATOM 52831 OH2 TIP3 1312 -1.152 0.502 2.837 1.00 0.00 WT5 O ATOM 52832 H1 TIP3 1312 0.218 8.956 8.944 1.00 0.00 WT5 H ATOM 52833 H2 TIP3 1312 -4.578 -1.160 -15.042 1.00 0.00 WT5 H ATOM 52834 OH2 TIP3 1318 -4.351 4.726 -4.143 1.00 0.00 WT5 O ATOM 52835 H1 TIP3 1318 1.151 3.323 -5.914 1.00 0.00 WT5 H ATOM 52836 H2 TIP3 1318 -4.854 5.536 2.104 1.00 0.00 WT5 H ATOM 52837 OH2 TIP3 1336 -1.624 0.300 -7.450 1.00 0.00 WT5 O ATOM 52838 H1 TIP3 1336 5.169 0.837 -9.403 1.00 0.00 WT5 H ATOM 52839 H2 TIP3 1336 -1.452 0.003 -5.606 1.00 0.00 WT5 H ATOM 52840 OH2 TIP3 1345 4.058 3.866 -6.587 1.00 0.00 WT5 O ATOM 52841 H1 TIP3 1345 -17.344 16.592 -8.845 1.00 0.00 WT5 H ATOM 52842 H2 TIP3 1345 -6.229 -25.954 10.312 1.00 0.00 WT5 H ATOM 52843 OH2 TIP3 1354 -4.188 4.524 -0.109 1.00 0.00 WT5 O ATOM 52844 H1 TIP3 1354 14.752 13.873 2.251 1.00 0.00 WT5 H ATOM 52845 H2 TIP3 1354 -11.938 7.918 16.645 1.00 0.00 WT5 H ATOM 52846 OH2 TIP3 1366 -3.074 -0.351 -3.779 1.00 0.00 WT5 O ATOM 52847 H1 TIP3 1366 -1.441 -2.977 -3.656 1.00 0.00 WT5 H ATOM 52848 H2 TIP3 1366 -15.079 -11.656 10.955 1.00 0.00 WT5 H ATOM 52849 OH2 TIP3 1370 3.770 1.562 3.379 1.00 0.00 WT5 O ATOM 52850 H1 TIP3 1370 -17.226 -10.506 -6.861 1.00 0.00 WT5 H ATOM 52851 H2 TIP3 1370 22.178 -2.590 8.505 1.00 0.00 WT5 H ATOM 52852 OH2 TIP3 1373 -2.058 -0.728 -0.485 1.00 0.00 WT5 O ATOM 52853 H1 TIP3 1373 6.150 17.500 -11.131 1.00 0.00 WT5 H ATOM 52854 H2 TIP3 1373 -12.398 -6.283 -2.128 1.00 0.00 WT5 H ATOM 52855 OH2 TIP3 1381 -7.849 -1.669 -1.702 1.00 0.00 WT5 O ATOM 52856 H1 TIP3 1381 2.613 1.621 4.588 1.00 0.00 WT5 H ATOM 52857 H2 TIP3 1381 3.667 2.359 6.816 1.00 0.00 WT5 H ATOM 52858 OH2 TIP3 1382 4.181 -2.196 1.877 1.00 0.00 WT5 O ATOM 52859 H1 TIP3 1382 -4.038 -7.577 -4.011 1.00 0.00 WT5 H ATOM 52860 H2 TIP3 1382 -17.355 -35.076 -17.023 1.00 0.00 WT5 H ATOM 52861 OH2 TIP3 1383 -0.102 -3.464 1.476 1.00 0.00 WT5 O ATOM 52862 H1 TIP3 1383 20.294 7.842 4.784 1.00 0.00 WT5 H ATOM 52863 H2 TIP3 1383 6.387 -11.300 30.833 1.00 0.00 WT5 H ATOM 52864 OH2 TIP3 1387 3.605 -1.287 -4.682 1.00 0.00 WT5 O ATOM 52865 H1 TIP3 1387 5.694 8.115 4.599 1.00 0.00 WT5 H ATOM 52866 H2 TIP3 1387 14.549 11.040 -1.081 1.00 0.00 WT5 H ATOM 52867 OH2 TIP3 1395 2.785 0.575 2.168 1.00 0.00 WT5 O ATOM 52868 H1 TIP3 1395 -14.043 -33.026 -8.278 1.00 0.00 WT5 H ATOM 52869 H2 TIP3 1395 -6.171 -5.355 4.164 1.00 0.00 WT5 H ATOM 52870 OH2 TIP3 1399 -2.541 0.843 1.242 1.00 0.00 WT5 O ATOM 52871 H1 TIP3 1399 -14.448 6.440 17.414 1.00 0.00 WT5 H ATOM 52872 H2 TIP3 1399 -2.065 0.125 2.864 1.00 0.00 WT5 H ATOM 52873 OH2 TIP3 1401 1.022 2.697 -0.331 1.00 0.00 WT5 O ATOM 52874 H1 TIP3 1401 -1.343 3.752 -2.044 1.00 0.00 WT5 H ATOM 52875 H2 TIP3 1401 8.270 -11.876 3.527 1.00 0.00 WT5 H ATOM 52876 OH2 TIP3 1408 -0.492 -1.838 -5.059 1.00 0.00 WT5 O ATOM 52877 H1 TIP3 1408 -3.190 -4.334 -0.672 1.00 0.00 WT5 H ATOM 52878 H2 TIP3 1408 4.208 2.704 1.987 1.00 0.00 WT5 H ATOM 52879 OH2 TIP3 1409 -0.091 0.107 -7.803 1.00 0.00 WT5 O ATOM 52880 H1 TIP3 1409 -2.856 0.753 -16.710 1.00 0.00 WT5 H ATOM 52881 H2 TIP3 1409 9.894 -3.810 -19.152 1.00 0.00 WT5 H ATOM 52882 OH2 TIP3 1414 -1.336 -4.041 2.666 1.00 0.00 WT5 O ATOM 52883 H1 TIP3 1414 -1.970 6.037 -6.190 1.00 0.00 WT5 H ATOM 52884 H2 TIP3 1414 9.710 1.031 6.352 1.00 0.00 WT5 H ATOM 52885 OH2 TIP3 1429 3.016 -1.274 -2.056 1.00 0.00 WT5 O ATOM 52886 H1 TIP3 1429 13.337 5.801 -3.929 1.00 0.00 WT5 H ATOM 52887 H2 TIP3 1429 4.552 12.256 2.777 1.00 0.00 WT5 H ATOM 52888 OH2 TIP3 1433 4.568 2.518 -3.232 1.00 0.00 WT5 O ATOM 52889 H1 TIP3 1433 -0.014 -18.167 -17.222 1.00 0.00 WT5 H ATOM 52890 H2 TIP3 1433 36.256 2.336 -0.261 1.00 0.00 WT5 H ATOM 52891 OH2 TIP3 1436 -1.274 -3.175 5.458 1.00 0.00 WT5 O ATOM 52892 H1 TIP3 1436 16.359 -24.644 4.643 1.00 0.00 WT5 H ATOM 52893 H2 TIP3 1436 7.725 10.946 -12.702 1.00 0.00 WT5 H ATOM 52894 OH2 TIP3 1440 -6.522 -5.423 -4.705 1.00 0.00 WT5 O ATOM 52895 H1 TIP3 1440 -13.776 36.025 7.232 1.00 0.00 WT5 H ATOM 52896 H2 TIP3 1440 -26.559 -19.595 -5.146 1.00 0.00 WT5 H ATOM 52897 OH2 TIP3 1445 0.060 0.776 0.538 1.00 0.00 WT5 O ATOM 52898 H1 TIP3 1445 -3.565 16.135 -3.308 1.00 0.00 WT5 H ATOM 52899 H2 TIP3 1445 -13.773 3.195 0.128 1.00 0.00 WT5 H ATOM 52900 OH2 TIP3 1447 8.322 -0.452 -1.930 1.00 0.00 WT5 O ATOM 52901 H1 TIP3 1447 8.484 10.039 10.078 1.00 0.00 WT5 H ATOM 52902 H2 TIP3 1447 11.376 -2.826 -0.469 1.00 0.00 WT5 H ATOM 52903 OH2 TIP3 1451 2.041 -2.690 -1.129 1.00 0.00 WT5 O ATOM 52904 H1 TIP3 1451 9.823 -9.733 9.427 1.00 0.00 WT5 H ATOM 52905 H2 TIP3 1451 3.988 -3.473 -3.657 1.00 0.00 WT5 H ATOM 52906 OH2 TIP3 1459 -5.007 -1.353 -1.240 1.00 0.00 WT5 O ATOM 52907 H1 TIP3 1459 -9.873 -3.858 -1.207 1.00 0.00 WT5 H ATOM 52908 H2 TIP3 1459 -1.148 6.445 2.570 1.00 0.00 WT5 H ATOM 52909 OH2 TIP3 1466 3.624 -5.054 -1.378 1.00 0.00 WT5 O ATOM 52910 H1 TIP3 1466 5.592 -17.029 7.310 1.00 0.00 WT5 H ATOM 52911 H2 TIP3 1466 0.843 -3.165 -1.969 1.00 0.00 WT5 H ATOM 52912 OH2 TIP3 1473 -6.289 1.296 8.858 1.00 0.00 WT5 O ATOM 52913 H1 TIP3 1473 6.684 12.093 0.887 1.00 0.00 WT5 H ATOM 52914 H2 TIP3 1473 -7.213 -13.113 7.446 1.00 0.00 WT5 H ATOM 52915 OH2 TIP3 1476 -0.285 1.520 -4.752 1.00 0.00 WT5 O ATOM 52916 H1 TIP3 1476 -0.345 -12.561 7.196 1.00 0.00 WT5 H ATOM 52917 H2 TIP3 1476 2.658 8.162 2.470 1.00 0.00 WT5 H ATOM 52918 OH2 TIP3 1477 -2.240 -5.376 -4.393 1.00 0.00 WT5 O ATOM 52919 H1 TIP3 1477 -8.863 -5.257 -3.744 1.00 0.00 WT5 H ATOM 52920 H2 TIP3 1477 -3.064 -0.102 1.630 1.00 0.00 WT5 H ATOM 52921 OH2 TIP3 1480 4.922 2.272 -0.826 1.00 0.00 WT5 O ATOM 52922 H1 TIP3 1480 0.819 -9.953 16.645 1.00 0.00 WT5 H ATOM 52923 H2 TIP3 1480 10.354 6.652 -12.801 1.00 0.00 WT5 H ATOM 52924 OH2 TIP3 1483 -0.493 0.398 -4.781 1.00 0.00 WT5 O ATOM 52925 H1 TIP3 1483 -18.505 -32.920 -22.957 1.00 0.00 WT5 H ATOM 52926 H2 TIP3 1483 6.593 10.410 11.225 1.00 0.00 WT5 H ATOM 52927 OH2 TIP3 1486 5.511 -2.252 -1.090 1.00 0.00 WT5 O ATOM 52928 H1 TIP3 1486 -1.262 6.657 12.887 1.00 0.00 WT5 H ATOM 52929 H2 TIP3 1486 16.245 14.545 -6.605 1.00 0.00 WT5 H ATOM 52930 OH2 TIP3 1492 1.534 -3.694 4.388 1.00 0.00 WT5 O ATOM 52931 H1 TIP3 1492 -14.956 -0.754 -1.240 1.00 0.00 WT5 H ATOM 52932 H2 TIP3 1492 6.980 -8.020 1.005 1.00 0.00 WT5 H ATOM 52933 OH2 TIP3 1508 3.947 -5.953 5.745 1.00 0.00 WT5 O ATOM 52934 H1 TIP3 1508 -2.030 13.123 18.496 1.00 0.00 WT5 H ATOM 52935 H2 TIP3 1508 -0.317 -4.973 5.097 1.00 0.00 WT5 H ATOM 52936 OH2 TIP3 1509 2.035 -0.526 4.197 1.00 0.00 WT5 O ATOM 52937 H1 TIP3 1509 35.925 -2.745 12.644 1.00 0.00 WT5 H ATOM 52938 H2 TIP3 1509 10.524 -14.082 8.158 1.00 0.00 WT5 H ATOM 52939 OH2 TIP3 1518 0.464 -0.960 -1.253 1.00 0.00 WT5 O ATOM 52940 H1 TIP3 1518 11.108 -2.343 7.565 1.00 0.00 WT5 H ATOM 52941 H2 TIP3 1518 -8.288 2.493 -6.820 1.00 0.00 WT5 H ATOM 52942 OH2 TIP3 1524 5.242 -3.877 5.649 1.00 0.00 WT5 O ATOM 52943 H1 TIP3 1524 -21.456 -11.514 -12.051 1.00 0.00 WT5 H ATOM 52944 H2 TIP3 1524 -3.002 -6.250 -7.602 1.00 0.00 WT5 H ATOM 52945 OH2 TIP3 1527 -1.323 1.587 -2.411 1.00 0.00 WT5 O ATOM 52946 H1 TIP3 1527 -9.634 -16.449 2.236 1.00 0.00 WT5 H ATOM 52947 H2 TIP3 1527 -14.486 16.193 -10.744 1.00 0.00 WT5 H ATOM 52948 OH2 TIP3 1546 0.256 -1.247 0.296 1.00 0.00 WT5 O ATOM 52949 H1 TIP3 1546 -3.590 -10.048 -1.292 1.00 0.00 WT5 H ATOM 52950 H2 TIP3 1546 4.243 -7.691 0.503 1.00 0.00 WT5 H ATOM 52951 OH2 TIP3 1557 -1.697 -1.868 -4.354 1.00 0.00 WT5 O ATOM 52952 H1 TIP3 1557 -2.747 -12.274 -1.732 1.00 0.00 WT5 H ATOM 52953 H2 TIP3 1557 -7.716 -7.409 -5.950 1.00 0.00 WT5 H ATOM 52954 OH2 TIP3 1573 -8.051 -3.913 -6.759 1.00 0.00 WT5 O ATOM 52955 H1 TIP3 1573 -20.600 0.795 -4.925 1.00 0.00 WT5 H ATOM 52956 H2 TIP3 1573 1.882 -1.081 2.531 1.00 0.00 WT5 H ATOM 52957 OH2 TIP3 1574 0.586 -1.384 -5.899 1.00 0.00 WT5 O ATOM 52958 H1 TIP3 1574 -20.176 -1.227 -3.537 1.00 0.00 WT5 H ATOM 52959 H2 TIP3 1574 3.854 3.350 -8.315 1.00 0.00 WT5 H ATOM 52960 OH2 TIP3 1589 -1.371 -0.335 -5.354 1.00 0.00 WT5 O ATOM 52961 H1 TIP3 1589 4.846 1.643 -3.631 1.00 0.00 WT5 H ATOM 52962 H2 TIP3 1589 -0.107 -5.303 -9.366 1.00 0.00 WT5 H ATOM 52963 OH2 TIP3 1592 4.843 2.204 1.541 1.00 0.00 WT5 O ATOM 52964 H1 TIP3 1592 -0.729 -6.378 12.467 1.00 0.00 WT5 H ATOM 52965 H2 TIP3 1592 5.716 16.654 2.534 1.00 0.00 WT5 H ATOM 52966 OH2 TIP3 1599 0.553 -1.560 3.081 1.00 0.00 WT5 O ATOM 52967 H1 TIP3 1599 10.546 -1.293 -1.768 1.00 0.00 WT5 H ATOM 52968 H2 TIP3 1599 -10.004 -2.313 -1.352 1.00 0.00 WT5 H ATOM 52969 OH2 TIP3 1600 -3.443 -3.855 3.533 1.00 0.00 WT5 O ATOM 52970 H1 TIP3 1600 -12.467 12.239 -6.291 1.00 0.00 WT5 H ATOM 52971 H2 TIP3 1600 1.909 5.991 13.206 1.00 0.00 WT5 H ATOM 52972 OH2 TIP3 1612 4.485 -1.501 -2.432 1.00 0.00 WT5 O ATOM 52973 H1 TIP3 1612 11.652 -10.543 -0.829 1.00 0.00 WT5 H ATOM 52974 H2 TIP3 1612 10.961 -1.238 -6.639 1.00 0.00 WT5 H ATOM 52975 OH2 TIP3 1613 2.529 3.279 2.920 1.00 0.00 WT5 O ATOM 52976 H1 TIP3 1613 -6.565 -5.866 15.009 1.00 0.00 WT5 H ATOM 52977 H2 TIP3 1613 -3.325 -3.835 -17.545 1.00 0.00 WT5 H ATOM 52978 OH2 TIP3 1615 0.153 -7.122 -3.636 1.00 0.00 WT5 O ATOM 52979 H1 TIP3 1615 16.732 -32.494 -1.366 1.00 0.00 WT5 H ATOM 52980 H2 TIP3 1615 -5.052 7.739 -9.088 1.00 0.00 WT5 H ATOM 52981 OH2 TIP3 1618 -3.212 5.825 6.592 1.00 0.00 WT5 O ATOM 52982 H1 TIP3 1618 1.356 -43.100 -34.019 1.00 0.00 WT5 H ATOM 52983 H2 TIP3 1618 4.981 -4.894 19.788 1.00 0.00 WT5 H ATOM 52984 OH2 TIP3 1624 -1.585 3.402 -5.574 1.00 0.00 WT5 O ATOM 52985 H1 TIP3 1624 0.732 5.814 -12.199 1.00 0.00 WT5 H ATOM 52986 H2 TIP3 1624 9.529 9.657 -32.607 1.00 0.00 WT5 H ATOM 52987 OH2 TIP3 1625 -2.503 2.631 5.218 1.00 0.00 WT5 O ATOM 52988 H1 TIP3 1625 -11.008 3.761 7.947 1.00 0.00 WT5 H ATOM 52989 H2 TIP3 1625 -2.208 11.111 17.659 1.00 0.00 WT5 H ATOM 52990 OH2 TIP3 1627 -2.281 0.709 -2.644 1.00 0.00 WT5 O ATOM 52991 H1 TIP3 1627 -9.193 12.113 -0.698 1.00 0.00 WT5 H ATOM 52992 H2 TIP3 1627 0.344 7.457 -0.351 1.00 0.00 WT5 H ATOM 52993 OH2 TIP3 1629 -2.888 3.785 0.970 1.00 0.00 WT5 O ATOM 52994 H1 TIP3 1629 -37.408 18.173 -6.688 1.00 0.00 WT5 H ATOM 52995 H2 TIP3 1629 23.820 -8.967 16.820 1.00 0.00 WT5 H ATOM 52996 OH2 TIP3 1631 5.118 -2.692 1.101 1.00 0.00 WT5 O ATOM 52997 H1 TIP3 1631 -0.675 -7.595 15.193 1.00 0.00 WT5 H ATOM 52998 H2 TIP3 1631 15.857 7.602 6.651 1.00 0.00 WT5 H ATOM 52999 OH2 TIP3 1636 -2.607 -1.764 6.126 1.00 0.00 WT5 O ATOM 53000 H1 TIP3 1636 3.046 -3.238 12.439 1.00 0.00 WT5 H ATOM 53001 H2 TIP3 1636 -2.513 0.109 7.265 1.00 0.00 WT5 H ATOM 53002 OH2 TIP3 1642 -0.429 -0.715 -2.971 1.00 0.00 WT5 O ATOM 53003 H1 TIP3 1642 21.736 9.419 0.494 1.00 0.00 WT5 H ATOM 53004 H2 TIP3 1642 10.474 23.727 4.827 1.00 0.00 WT5 H ATOM 53005 OH2 TIP3 1648 -3.486 5.624 2.262 1.00 0.00 WT5 O ATOM 53006 H1 TIP3 1648 28.192 -17.409 -12.403 1.00 0.00 WT5 H ATOM 53007 H2 TIP3 1648 4.601 -20.659 12.482 1.00 0.00 WT5 H ATOM 53008 OH2 TIP3 1651 0.269 -4.599 2.967 1.00 0.00 WT5 O ATOM 53009 H1 TIP3 1651 -23.515 2.304 -21.506 1.00 0.00 WT5 H ATOM 53010 H2 TIP3 1651 -22.716 6.960 -18.760 1.00 0.00 WT5 H ATOM 53011 OH2 TIP3 1656 0.481 -3.616 1.671 1.00 0.00 WT5 O ATOM 53012 H1 TIP3 1656 -17.772 -13.878 4.060 1.00 0.00 WT5 H ATOM 53013 H2 TIP3 1656 6.343 17.594 13.182 1.00 0.00 WT5 H ATOM 53014 OH2 TIP3 1664 1.630 -5.885 -0.089 1.00 0.00 WT5 O ATOM 53015 H1 TIP3 1664 -4.272 -13.864 19.568 1.00 0.00 WT5 H ATOM 53016 H2 TIP3 1664 -0.486 21.672 -13.247 1.00 0.00 WT5 H ATOM 53017 OH2 TIP3 1678 -0.306 -0.229 2.781 1.00 0.00 WT5 O ATOM 53018 H1 TIP3 1678 -0.841 4.501 5.306 1.00 0.00 WT5 H ATOM 53019 H2 TIP3 1678 -9.811 10.967 22.112 1.00 0.00 WT5 H ATOM 53020 OH2 TIP3 1691 4.981 3.489 0.642 1.00 0.00 WT5 O ATOM 53021 H1 TIP3 1691 -21.515 19.654 11.455 1.00 0.00 WT5 H ATOM 53022 H2 TIP3 1691 21.276 -7.704 -17.559 1.00 0.00 WT5 H ATOM 53023 OH2 TIP3 1697 3.931 -5.003 -0.603 1.00 0.00 WT5 O ATOM 53024 H1 TIP3 1697 21.965 -2.208 -19.182 1.00 0.00 WT5 H ATOM 53025 H2 TIP3 1697 -17.821 -3.838 -13.475 1.00 0.00 WT5 H ATOM 53026 OH2 TIP3 1698 2.286 -0.408 4.034 1.00 0.00 WT5 O ATOM 53027 H1 TIP3 1698 20.830 2.741 -8.035 1.00 0.00 WT5 H ATOM 53028 H2 TIP3 1698 -5.745 -1.330 19.913 1.00 0.00 WT5 H ATOM 53029 OH2 TIP3 1706 2.184 0.199 -2.241 1.00 0.00 WT5 O ATOM 53030 H1 TIP3 1706 -0.479 4.397 8.878 1.00 0.00 WT5 H ATOM 53031 H2 TIP3 1706 5.965 -11.617 -15.525 1.00 0.00 WT5 H ATOM 53032 OH2 TIP3 1725 -0.645 -3.192 1.475 1.00 0.00 WT5 O ATOM 53033 H1 TIP3 1725 7.104 -12.333 13.721 1.00 0.00 WT5 H ATOM 53034 H2 TIP3 1725 11.725 -3.990 2.376 1.00 0.00 WT5 H ATOM 53035 OH2 TIP3 1737 0.136 -10.647 0.691 1.00 0.00 WT5 O ATOM 53036 H1 TIP3 1737 2.527 1.005 14.594 1.00 0.00 WT5 H ATOM 53037 H2 TIP3 1737 9.536 -6.142 -10.877 1.00 0.00 WT5 H ATOM 53038 OH2 TIP3 1751 4.728 2.069 -2.141 1.00 0.00 WT5 O ATOM 53039 H1 TIP3 1751 3.743 23.468 -13.368 1.00 0.00 WT5 H ATOM 53040 H2 TIP3 1751 -5.363 -9.850 -9.624 1.00 0.00 WT5 H ATOM 53041 OH2 TIP3 1754 -3.018 0.274 2.903 1.00 0.00 WT5 O ATOM 53042 H1 TIP3 1754 -2.970 3.916 -12.217 1.00 0.00 WT5 H ATOM 53043 H2 TIP3 1754 -2.772 -3.003 1.895 1.00 0.00 WT5 H ATOM 53044 OH2 TIP3 1758 -2.258 -6.167 2.799 1.00 0.00 WT5 O ATOM 53045 H1 TIP3 1758 -6.773 -1.022 -2.964 1.00 0.00 WT5 H ATOM 53046 H2 TIP3 1758 3.499 -9.965 5.803 1.00 0.00 WT5 H ATOM 53047 OH2 TIP3 1763 -2.329 1.795 1.045 1.00 0.00 WT5 O ATOM 53048 H1 TIP3 1763 -1.151 9.961 -23.013 1.00 0.00 WT5 H ATOM 53049 H2 TIP3 1763 -20.549 -12.591 5.344 1.00 0.00 WT5 H ATOM 53050 OH2 TIP3 1769 -3.203 5.076 -3.034 1.00 0.00 WT5 O ATOM 53051 H1 TIP3 1769 -17.321 15.845 -1.187 1.00 0.00 WT5 H ATOM 53052 H2 TIP3 1769 -13.587 20.100 -3.745 1.00 0.00 WT5 H ATOM 53053 OH2 TIP3 1771 -1.523 -1.200 5.976 1.00 0.00 WT5 O ATOM 53054 H1 TIP3 1771 -1.074 -1.337 -6.792 1.00 0.00 WT5 H ATOM 53055 H2 TIP3 1771 -4.632 1.047 35.886 1.00 0.00 WT5 H ATOM 53056 OH2 TIP3 1775 -2.330 -5.847 -1.208 1.00 0.00 WT5 O ATOM 53057 H1 TIP3 1775 -6.961 -14.994 -7.524 1.00 0.00 WT5 H ATOM 53058 H2 TIP3 1775 -3.068 1.617 -6.081 1.00 0.00 WT5 H ATOM 53059 OH2 TIP3 1777 -3.695 4.963 -6.696 1.00 0.00 WT5 O ATOM 53060 H1 TIP3 1777 12.846 -9.787 11.759 1.00 0.00 WT5 H ATOM 53061 H2 TIP3 1777 -13.800 12.392 16.335 1.00 0.00 WT5 H ATOM 53062 OH2 TIP3 1778 1.571 -1.793 6.436 1.00 0.00 WT5 O ATOM 53063 H1 TIP3 1778 -13.855 -5.580 -3.215 1.00 0.00 WT5 H ATOM 53064 H2 TIP3 1778 9.880 8.015 -9.474 1.00 0.00 WT5 H ATOM 53065 OH2 TIP3 1779 1.067 0.054 1.518 1.00 0.00 WT5 O ATOM 53066 H1 TIP3 1779 5.007 -13.506 -0.785 1.00 0.00 WT5 H ATOM 53067 H2 TIP3 1779 -9.342 1.731 -24.514 1.00 0.00 WT5 H ATOM 53068 OH2 TIP3 1783 2.117 -3.706 5.509 1.00 0.00 WT5 O ATOM 53069 H1 TIP3 1783 -3.762 -8.757 -6.835 1.00 0.00 WT5 H ATOM 53070 H2 TIP3 1783 2.015 -15.195 14.635 1.00 0.00 WT5 H ATOM 53071 OH2 TIP3 1803 0.384 -2.388 -2.553 1.00 0.00 WT5 O ATOM 53072 H1 TIP3 1803 0.606 8.125 5.533 1.00 0.00 WT5 H ATOM 53073 H2 TIP3 1803 -23.801 9.636 5.357 1.00 0.00 WT5 H ATOM 53074 OH2 TIP3 1812 -0.237 -1.493 -0.869 1.00 0.00 WT5 O ATOM 53075 H1 TIP3 1812 -3.595 -9.687 7.788 1.00 0.00 WT5 H ATOM 53076 H2 TIP3 1812 8.460 -7.313 -6.514 1.00 0.00 WT5 H ATOM 53077 OH2 TIP3 1849 9.053 -3.974 1.448 1.00 0.00 WT5 O ATOM 53078 H1 TIP3 1849 9.929 -4.101 -2.125 1.00 0.00 WT5 H ATOM 53079 H2 TIP3 1849 2.228 -14.245 5.679 1.00 0.00 WT5 H ATOM 53080 OH2 TIP3 1853 -0.346 4.103 -0.736 1.00 0.00 WT5 O ATOM 53081 H1 TIP3 1853 0.613 4.845 -21.563 1.00 0.00 WT5 H ATOM 53082 H2 TIP3 1853 0.176 17.114 -10.581 1.00 0.00 WT5 H ATOM 53083 OH2 TIP3 1858 3.103 -3.046 -0.024 1.00 0.00 WT5 O ATOM 53084 H1 TIP3 1858 -18.293 3.625 -19.071 1.00 0.00 WT5 H ATOM 53085 H2 TIP3 1858 -5.811 -0.644 2.592 1.00 0.00 WT5 H ATOM 53086 OH2 TIP3 1859 -4.030 2.538 -2.877 1.00 0.00 WT5 O ATOM 53087 H1 TIP3 1859 34.989 10.914 5.528 1.00 0.00 WT5 H ATOM 53088 H2 TIP3 1859 -24.574 -21.669 28.651 1.00 0.00 WT5 H ATOM 53089 OH2 TIP3 1864 -1.502 5.579 6.101 1.00 0.00 WT5 O ATOM 53090 H1 TIP3 1864 -13.326 -10.255 5.744 1.00 0.00 WT5 H ATOM 53091 H2 TIP3 1864 10.989 2.320 -19.667 1.00 0.00 WT5 H ATOM 53092 OH2 TIP3 1879 0.763 -2.127 -1.729 1.00 0.00 WT5 O ATOM 53093 H1 TIP3 1879 -11.555 -7.697 -7.859 1.00 0.00 WT5 H ATOM 53094 H2 TIP3 1879 2.089 7.156 19.524 1.00 0.00 WT5 H ATOM 53095 OH2 TIP3 1880 4.343 -7.461 1.278 1.00 0.00 WT5 O ATOM 53096 H1 TIP3 1880 -9.098 -6.697 -2.969 1.00 0.00 WT5 H ATOM 53097 H2 TIP3 1880 9.176 -3.588 -12.316 1.00 0.00 WT5 H ATOM 53098 OH2 TIP3 1882 -3.109 -0.654 0.684 1.00 0.00 WT5 O ATOM 53099 H1 TIP3 1882 3.824 -4.884 8.581 1.00 0.00 WT5 H ATOM 53100 H2 TIP3 1882 0.499 -15.673 15.794 1.00 0.00 WT5 H ATOM 53101 OH2 TIP3 1892 -0.121 2.578 -4.290 1.00 0.00 WT5 O ATOM 53102 H1 TIP3 1892 0.077 -25.472 16.437 1.00 0.00 WT5 H ATOM 53103 H2 TIP3 1892 5.532 -17.108 5.369 1.00 0.00 WT5 H ATOM 53104 OH2 TIP3 1897 -1.163 -4.057 1.813 1.00 0.00 WT5 O ATOM 53105 H1 TIP3 1897 4.556 -2.005 8.572 1.00 0.00 WT5 H ATOM 53106 H2 TIP3 1897 -1.988 3.047 3.617 1.00 0.00 WT5 H ATOM 53107 OH2 TIP3 1898 4.374 -4.323 8.226 1.00 0.00 WT5 O ATOM 53108 H1 TIP3 1898 21.302 -6.122 -18.292 1.00 0.00 WT5 H ATOM 53109 H2 TIP3 1898 -23.485 -3.386 0.624 1.00 0.00 WT5 H ATOM 53110 OH2 TIP3 1925 0.057 -1.340 6.026 1.00 0.00 WT5 O ATOM 53111 H1 TIP3 1925 -9.427 -6.089 16.982 1.00 0.00 WT5 H ATOM 53112 H2 TIP3 1925 -1.316 7.398 10.704 1.00 0.00 WT5 H ATOM 53113 OH2 TIP3 1939 1.232 6.128 0.509 1.00 0.00 WT5 O ATOM 53114 H1 TIP3 1939 -5.007 2.506 2.359 1.00 0.00 WT5 H ATOM 53115 H2 TIP3 1939 5.663 5.809 -6.276 1.00 0.00 WT5 H ATOM 53116 OH2 TIP3 1949 -0.168 3.100 -3.165 1.00 0.00 WT5 O ATOM 53117 H1 TIP3 1949 -1.879 1.514 -3.060 1.00 0.00 WT5 H ATOM 53118 H2 TIP3 1949 -1.573 4.675 0.169 1.00 0.00 WT5 H ATOM 53119 OH2 TIP3 1960 -0.913 3.148 1.875 1.00 0.00 WT5 O ATOM 53120 H1 TIP3 1960 8.755 -7.806 -13.709 1.00 0.00 WT5 H ATOM 53121 H2 TIP3 1960 -21.774 1.258 -8.969 1.00 0.00 WT5 H ATOM 53122 OH2 TIP3 1965 0.751 -3.838 -3.560 1.00 0.00 WT5 O ATOM 53123 H1 TIP3 1965 -8.986 -7.306 16.255 1.00 0.00 WT5 H ATOM 53124 H2 TIP3 1965 -2.017 -0.750 -27.118 1.00 0.00 WT5 H ATOM 53125 OH2 TIP3 1978 3.626 0.844 5.731 1.00 0.00 WT5 O ATOM 53126 H1 TIP3 1978 13.665 10.206 7.632 1.00 0.00 WT5 H ATOM 53127 H2 TIP3 1978 -6.427 6.070 -1.007 1.00 0.00 WT5 H ATOM 53128 OH2 TIP3 1990 -1.444 6.258 -5.946 1.00 0.00 WT5 O ATOM 53129 H1 TIP3 1990 5.323 -6.976 -5.993 1.00 0.00 WT5 H ATOM 53130 H2 TIP3 1990 18.223 -14.765 13.941 1.00 0.00 WT5 H ATOM 53131 OH2 TIP3 1994 -2.705 1.731 5.867 1.00 0.00 WT5 O ATOM 53132 H1 TIP3 1994 5.592 3.701 2.060 1.00 0.00 WT5 H ATOM 53133 H2 TIP3 1994 21.570 -4.857 3.244 1.00 0.00 WT5 H ATOM 53134 OH2 TIP3 2000 1.111 -3.071 -5.453 1.00 0.00 WT5 O ATOM 53135 H1 TIP3 2000 13.440 -3.365 4.806 1.00 0.00 WT5 H ATOM 53136 H2 TIP3 2000 1.311 4.175 -14.623 1.00 0.00 WT5 H ATOM 53137 OH2 TIP3 2017 5.300 2.930 -2.344 1.00 0.00 WT5 O ATOM 53138 H1 TIP3 2017 4.647 -2.298 -0.997 1.00 0.00 WT5 H ATOM 53139 H2 TIP3 2017 14.164 -2.769 -5.081 1.00 0.00 WT5 H ATOM 53140 OH2 TIP3 2022 -1.629 2.691 -4.267 1.00 0.00 WT5 O ATOM 53141 H1 TIP3 2022 2.823 0.442 2.717 1.00 0.00 WT5 H ATOM 53142 H2 TIP3 2022 5.014 6.582 -7.387 1.00 0.00 WT5 H ATOM 53143 OH2 TIP3 2025 1.178 -4.699 -3.275 1.00 0.00 WT5 O ATOM 53144 H1 TIP3 2025 -6.953 4.207 -1.216 1.00 0.00 WT5 H ATOM 53145 H2 TIP3 2025 -2.692 -14.647 5.508 1.00 0.00 WT5 H ATOM 53146 OH2 TIP3 2053 4.088 -5.019 5.195 1.00 0.00 WT5 O ATOM 53147 H1 TIP3 2053 10.031 16.248 -0.837 1.00 0.00 WT5 H ATOM 53148 H2 TIP3 2053 -11.249 -9.486 -15.942 1.00 0.00 WT5 H ATOM 53149 OH2 TIP3 2056 4.290 -0.776 3.885 1.00 0.00 WT5 O ATOM 53150 H1 TIP3 2056 4.156 -5.148 0.362 1.00 0.00 WT5 H ATOM 53151 H2 TIP3 2056 2.775 -3.108 0.069 1.00 0.00 WT5 H ATOM 53152 OH2 TIP3 2058 1.932 -0.512 -2.287 1.00 0.00 WT5 O ATOM 53153 H1 TIP3 2058 6.210 -1.310 -12.701 1.00 0.00 WT5 H ATOM 53154 H2 TIP3 2058 4.311 8.821 -2.414 1.00 0.00 WT5 H ATOM 53155 OH2 TIP3 2080 -3.484 -1.756 6.146 1.00 0.00 WT5 O ATOM 53156 H1 TIP3 2080 -3.816 -1.644 0.488 1.00 0.00 WT5 H ATOM 53157 H2 TIP3 2080 -10.383 2.418 38.188 1.00 0.00 WT5 H ATOM 53158 OH2 TIP3 2083 7.177 1.108 4.435 1.00 0.00 WT5 O ATOM 53159 H1 TIP3 2083 0.455 7.483 -31.260 1.00 0.00 WT5 H ATOM 53160 H2 TIP3 2083 3.682 7.283 -1.374 1.00 0.00 WT5 H ATOM 53161 OH2 TIP3 2085 0.221 2.717 -1.833 1.00 0.00 WT5 O ATOM 53162 H1 TIP3 2085 13.613 9.336 -4.228 1.00 0.00 WT5 H ATOM 53163 H2 TIP3 2085 3.544 1.773 -19.052 1.00 0.00 WT5 H ATOM 53164 OH2 TIP3 2108 2.950 5.689 -1.283 1.00 0.00 WT5 O ATOM 53165 H1 TIP3 2108 4.321 27.302 7.055 1.00 0.00 WT5 H ATOM 53166 H2 TIP3 2108 3.695 -14.603 -7.953 1.00 0.00 WT5 H ATOM 53167 OH2 TIP3 2127 -3.435 2.314 3.036 1.00 0.00 WT5 O ATOM 53168 H1 TIP3 2127 38.888 17.338 16.709 1.00 0.00 WT5 H ATOM 53169 H2 TIP3 2127 5.199 12.060 -19.717 1.00 0.00 WT5 H ATOM 53170 OH2 TIP3 2132 0.962 -3.316 -4.888 1.00 0.00 WT5 O ATOM 53171 H1 TIP3 2132 -5.441 -8.617 -15.158 1.00 0.00 WT5 H ATOM 53172 H2 TIP3 2132 -1.540 -1.654 -22.245 1.00 0.00 WT5 H ATOM 53173 OH2 TIP3 2150 3.673 -1.164 1.980 1.00 0.00 WT5 O ATOM 53174 H1 TIP3 2150 21.855 -8.245 -5.906 1.00 0.00 WT5 H ATOM 53175 H2 TIP3 2150 6.582 -17.640 14.252 1.00 0.00 WT5 H ATOM 53176 OH2 TIP3 2156 -3.838 -4.752 2.095 1.00 0.00 WT5 O ATOM 53177 H1 TIP3 2156 -20.152 -12.449 22.431 1.00 0.00 WT5 H ATOM 53178 H2 TIP3 2156 -5.803 -17.657 -12.864 1.00 0.00 WT5 H ATOM 53179 OH2 TIP3 2160 1.968 2.319 -0.874 1.00 0.00 WT5 O ATOM 53180 H1 TIP3 2160 -11.912 -15.717 11.286 1.00 0.00 WT5 H ATOM 53181 H2 TIP3 2160 -5.387 -2.428 47.480 1.00 0.00 WT5 H ATOM 53182 OH2 TIP3 2171 2.528 -2.614 2.081 1.00 0.00 WT5 O ATOM 53183 H1 TIP3 2171 10.169 12.006 -16.365 1.00 0.00 WT5 H ATOM 53184 H2 TIP3 2171 5.808 -7.304 -15.687 1.00 0.00 WT5 H ATOM 53185 OH2 TIP3 2173 -0.040 -3.390 1.697 1.00 0.00 WT5 O ATOM 53186 H1 TIP3 2173 0.350 6.777 0.319 1.00 0.00 WT5 H ATOM 53187 H2 TIP3 2173 0.452 11.115 -3.556 1.00 0.00 WT5 H ATOM 53188 OH2 TIP3 2179 4.294 0.274 -1.760 1.00 0.00 WT5 O ATOM 53189 H1 TIP3 2179 2.857 0.688 21.739 1.00 0.00 WT5 H ATOM 53190 H2 TIP3 2179 10.598 6.298 5.844 1.00 0.00 WT5 H ATOM 53191 OH2 TIP3 2183 -5.275 7.291 -0.171 1.00 0.00 WT5 O ATOM 53192 H1 TIP3 2183 -0.892 7.718 2.444 1.00 0.00 WT5 H ATOM 53193 H2 TIP3 2183 3.565 10.736 2.542 1.00 0.00 WT5 H ATOM 53194 OH2 TIP3 2190 -4.859 -5.809 -6.103 1.00 0.00 WT5 O ATOM 53195 H1 TIP3 2190 0.563 -4.031 -6.598 1.00 0.00 WT5 H ATOM 53196 H2 TIP3 2190 7.320 -3.560 20.600 1.00 0.00 WT5 H ATOM 53197 OH2 TIP3 2231 -3.336 3.615 -9.176 1.00 0.00 WT5 O ATOM 53198 H1 TIP3 2231 -6.314 -4.128 -10.363 1.00 0.00 WT5 H ATOM 53199 H2 TIP3 2231 -5.700 -18.678 5.108 1.00 0.00 WT5 H ATOM 53200 OH2 TIP3 2236 -1.932 -1.304 6.705 1.00 0.00 WT5 O ATOM 53201 H1 TIP3 2236 -7.606 -10.224 -35.447 1.00 0.00 WT5 H ATOM 53202 H2 TIP3 2236 14.215 17.711 10.782 1.00 0.00 WT5 H ATOM 53203 OH2 TIP3 2268 -1.417 4.099 -2.313 1.00 0.00 WT5 O ATOM 53204 H1 TIP3 2268 0.581 8.784 -3.131 1.00 0.00 WT5 H ATOM 53205 H2 TIP3 2268 -3.762 1.381 -2.008 1.00 0.00 WT5 H ATOM 53206 OH2 TIP3 2270 5.949 -5.655 2.635 1.00 0.00 WT5 O ATOM 53207 H1 TIP3 2270 -1.031 10.325 -7.755 1.00 0.00 WT5 H ATOM 53208 H2 TIP3 2270 6.632 -4.941 5.080 1.00 0.00 WT5 H ATOM 53209 OH2 TIP3 2282 -1.635 5.469 0.787 1.00 0.00 WT5 O ATOM 53210 H1 TIP3 2282 -7.941 -5.973 2.848 1.00 0.00 WT5 H ATOM 53211 H2 TIP3 2282 8.613 21.353 -9.032 1.00 0.00 WT5 H ATOM 53212 OH2 TIP3 2288 4.564 3.528 0.871 1.00 0.00 WT5 O ATOM 53213 H1 TIP3 2288 12.124 -2.945 -20.479 1.00 0.00 WT5 H ATOM 53214 H2 TIP3 2288 0.511 8.415 17.871 1.00 0.00 WT5 H ATOM 53215 OH2 TIP3 2290 -4.227 -2.002 0.810 1.00 0.00 WT5 O ATOM 53216 H1 TIP3 2290 -6.849 22.527 -0.801 1.00 0.00 WT5 H ATOM 53217 H2 TIP3 2290 -7.603 -3.329 0.780 1.00 0.00 WT5 H ATOM 53218 OH2 TIP3 2293 3.924 4.024 -1.086 1.00 0.00 WT5 O ATOM 53219 H1 TIP3 2293 2.618 -14.206 0.145 1.00 0.00 WT5 H ATOM 53220 H2 TIP3 2293 -11.571 -0.485 -2.554 1.00 0.00 WT5 H ATOM 53221 OH2 TIP3 2317 -4.588 -2.317 6.811 1.00 0.00 WT5 O ATOM 53222 H1 TIP3 2317 -13.356 -4.021 13.652 1.00 0.00 WT5 H ATOM 53223 H2 TIP3 2317 1.771 -8.791 12.319 1.00 0.00 WT5 H ATOM 53224 OH2 TIP3 2323 2.238 0.928 -2.061 1.00 0.00 WT5 O ATOM 53225 H1 TIP3 2323 20.459 10.194 -10.375 1.00 0.00 WT5 H ATOM 53226 H2 TIP3 2323 8.311 6.268 -19.999 1.00 0.00 WT5 H ATOM 53227 OH2 TIP3 2324 -9.389 3.004 -0.869 1.00 0.00 WT5 O ATOM 53228 H1 TIP3 2324 -21.695 6.625 17.798 1.00 0.00 WT5 H ATOM 53229 H2 TIP3 2324 -20.041 -12.814 -7.515 1.00 0.00 WT5 H ATOM 53230 OH2 TIP3 2327 -2.592 -4.716 -2.273 1.00 0.00 WT5 O ATOM 53231 H1 TIP3 2327 -3.466 -26.651 1.476 1.00 0.00 WT5 H ATOM 53232 H2 TIP3 2327 -18.397 1.566 7.103 1.00 0.00 WT5 H ATOM 53233 OH2 TIP3 2357 7.798 3.285 6.514 1.00 0.00 WT5 O ATOM 53234 H1 TIP3 2357 -9.802 -9.142 7.034 1.00 0.00 WT5 H ATOM 53235 H2 TIP3 2357 29.508 17.393 -1.231 1.00 0.00 WT5 H ATOM 53236 OH2 TIP3 2358 1.274 5.002 -3.100 1.00 0.00 WT5 O ATOM 53237 H1 TIP3 2358 -8.255 -10.847 -14.133 1.00 0.00 WT5 H ATOM 53238 H2 TIP3 2358 5.768 24.955 -15.732 1.00 0.00 WT5 H ATOM 53239 OH2 TIP3 2372 0.591 1.857 2.885 1.00 0.00 WT5 O ATOM 53240 H1 TIP3 2372 -20.705 2.105 28.123 1.00 0.00 WT5 H ATOM 53241 H2 TIP3 2372 -12.350 -8.453 -1.961 1.00 0.00 WT5 H ATOM 53242 OH2 TIP3 2408 4.131 -0.903 -0.059 1.00 0.00 WT5 O ATOM 53243 H1 TIP3 2408 -1.053 11.266 -2.812 1.00 0.00 WT5 H ATOM 53244 H2 TIP3 2408 12.433 3.989 13.665 1.00 0.00 WT5 H ATOM 53245 OH2 TIP3 2410 -2.944 -3.108 0.787 1.00 0.00 WT5 O ATOM 53246 H1 TIP3 2410 -12.052 5.665 -6.609 1.00 0.00 WT5 H ATOM 53247 H2 TIP3 2410 6.489 -13.997 6.136 1.00 0.00 WT5 H ATOM 53248 OH2 TIP3 2411 -3.798 -4.576 0.914 1.00 0.00 WT5 O ATOM 53249 H1 TIP3 2411 -7.885 0.100 8.898 1.00 0.00 WT5 H ATOM 53250 H2 TIP3 2411 14.163 0.216 0.921 1.00 0.00 WT5 H ATOM 53251 OH2 TIP3 2462 -3.602 -1.156 -2.290 1.00 0.00 WT5 O ATOM 53252 H1 TIP3 2462 -20.214 -8.176 6.987 1.00 0.00 WT5 H ATOM 53253 H2 TIP3 2462 -13.205 1.361 -24.777 1.00 0.00 WT5 H ATOM 53254 OH2 TIP3 2468 -1.856 3.039 4.096 1.00 0.00 WT5 O ATOM 53255 H1 TIP3 2468 -14.940 -6.420 -3.408 1.00 0.00 WT5 H ATOM 53256 H2 TIP3 2468 2.188 11.426 3.673 1.00 0.00 WT5 H ATOM 53257 OH2 TIP3 2471 3.687 5.360 -2.786 1.00 0.00 WT5 O ATOM 53258 H1 TIP3 2471 6.951 -12.277 8.713 1.00 0.00 WT5 H ATOM 53259 H2 TIP3 2471 -2.074 -1.449 -24.633 1.00 0.00 WT5 H ATOM 53260 OH2 TIP3 2474 -8.231 -5.091 -2.146 1.00 0.00 WT5 O ATOM 53261 H1 TIP3 2474 -19.715 13.728 26.754 1.00 0.00 WT5 H ATOM 53262 H2 TIP3 2474 -19.741 -8.382 9.752 1.00 0.00 WT5 H ATOM 53263 OH2 TIP3 2500 -1.251 -8.410 0.098 1.00 0.00 WT5 O ATOM 53264 H1 TIP3 2500 -3.333 3.884 16.521 1.00 0.00 WT5 H ATOM 53265 H2 TIP3 2500 0.543 -9.089 5.825 1.00 0.00 WT5 H ATOM 53266 OH2 TIP3 2521 1.917 -0.378 3.908 1.00 0.00 WT5 O ATOM 53267 H1 TIP3 2521 26.051 -2.448 11.758 1.00 0.00 WT5 H ATOM 53268 H2 TIP3 2521 6.650 0.934 5.163 1.00 0.00 WT5 H ATOM 53269 OH2 TIP3 2524 -0.621 10.205 3.562 1.00 0.00 WT5 O ATOM 53270 H1 TIP3 2524 -9.304 16.320 7.813 1.00 0.00 WT5 H ATOM 53271 H2 TIP3 2524 15.310 6.720 -13.915 1.00 0.00 WT5 H ATOM 53272 OH2 TIP3 2525 2.643 -0.415 -1.486 1.00 0.00 WT5 O ATOM 53273 H1 TIP3 2525 -6.926 5.636 -1.497 1.00 0.00 WT5 H ATOM 53274 H2 TIP3 2525 24.795 0.562 -16.428 1.00 0.00 WT5 H ATOM 53275 OH2 TIP3 2542 -0.907 5.050 -2.896 1.00 0.00 WT5 O ATOM 53276 H1 TIP3 2542 0.280 -13.137 -10.107 1.00 0.00 WT5 H ATOM 53277 H2 TIP3 2542 6.918 6.623 17.841 1.00 0.00 WT5 H ATOM 53278 OH2 TIP3 2559 5.878 -3.411 6.748 1.00 0.00 WT5 O ATOM 53279 H1 TIP3 2559 11.783 -2.592 -1.061 1.00 0.00 WT5 H ATOM 53280 H2 TIP3 2559 5.628 -11.959 9.294 1.00 0.00 WT5 H ATOM 53281 OH2 TIP3 2560 -1.080 -1.844 0.714 1.00 0.00 WT5 O ATOM 53282 H1 TIP3 2560 -16.238 7.580 -0.413 1.00 0.00 WT5 H ATOM 53283 H2 TIP3 2560 4.332 -25.189 -3.836 1.00 0.00 WT5 H ATOM 53284 OH2 TIP3 2568 -3.325 -3.166 1.912 1.00 0.00 WT5 O ATOM 53285 H1 TIP3 2568 -12.204 -0.429 -0.220 1.00 0.00 WT5 H ATOM 53286 H2 TIP3 2568 -9.431 -2.807 4.737 1.00 0.00 WT5 H ATOM 53287 OH2 TIP3 2570 -2.734 -4.284 -2.987 1.00 0.00 WT5 O ATOM 53288 H1 TIP3 2570 -9.931 4.220 9.285 1.00 0.00 WT5 H ATOM 53289 H2 TIP3 2570 -24.412 9.335 -7.684 1.00 0.00 WT5 H ATOM 53290 OH2 TIP3 2603 -7.128 0.177 -5.660 1.00 0.00 WT5 O ATOM 53291 H1 TIP3 2603 -13.510 -1.685 1.177 1.00 0.00 WT5 H ATOM 53292 H2 TIP3 2603 -12.982 -2.612 1.406 1.00 0.00 WT5 H ATOM 53293 OH2 TIP3 2629 -3.944 -3.533 3.826 1.00 0.00 WT5 O ATOM 53294 H1 TIP3 2629 4.068 -16.398 -0.754 1.00 0.00 WT5 H ATOM 53295 H2 TIP3 2629 -16.057 13.695 16.095 1.00 0.00 WT5 H ATOM 53296 OH2 TIP3 2644 -2.406 5.153 -7.647 1.00 0.00 WT5 O ATOM 53297 H1 TIP3 2644 16.137 -5.860 -5.923 1.00 0.00 WT5 H ATOM 53298 H2 TIP3 2644 -13.269 13.560 -8.062 1.00 0.00 WT5 H ATOM 53299 OH2 TIP3 2705 4.729 7.675 5.529 1.00 0.00 WT5 O ATOM 53300 H1 TIP3 2705 9.828 4.613 4.159 1.00 0.00 WT5 H ATOM 53301 H2 TIP3 2705 9.579 12.816 17.194 1.00 0.00 WT5 H ATOM 53302 OH2 TIP3 2714 1.096 0.362 -3.202 1.00 0.00 WT5 O ATOM 53303 H1 TIP3 2714 -2.129 9.096 10.438 1.00 0.00 WT5 H ATOM 53304 H2 TIP3 2714 9.560 -5.886 22.159 1.00 0.00 WT5 H ATOM 53305 OH2 TIP3 2759 -4.195 0.315 1.383 1.00 0.00 WT5 O ATOM 53306 H1 TIP3 2759 11.566 -5.073 4.317 1.00 0.00 WT5 H ATOM 53307 H2 TIP3 2759 0.790 -1.862 0.160 1.00 0.00 WT5 H ATOM 53308 OH2 TIP3 2780 -0.157 3.614 4.321 1.00 0.00 WT5 O ATOM 53309 H1 TIP3 2780 5.725 10.023 2.704 1.00 0.00 WT5 H ATOM 53310 H2 TIP3 2780 2.349 -3.138 0.208 1.00 0.00 WT5 H ATOM 53311 OH2 TIP3 2781 -6.675 2.040 -0.598 1.00 0.00 WT5 O ATOM 53312 H1 TIP3 2781 7.353 5.706 10.702 1.00 0.00 WT5 H ATOM 53313 H2 TIP3 2781 -6.188 0.750 1.969 1.00 0.00 WT5 H ATOM 53314 OH2 TIP3 2802 0.010 1.583 1.099 1.00 0.00 WT5 O ATOM 53315 H1 TIP3 2802 5.755 3.157 -1.288 1.00 0.00 WT5 H ATOM 53316 H2 TIP3 2802 4.037 3.271 0.175 1.00 0.00 WT5 H ATOM 53317 OH2 TIP3 2855 -2.575 4.453 -3.594 1.00 0.00 WT5 O ATOM 53318 H1 TIP3 2855 -5.406 -3.046 32.430 1.00 0.00 WT5 H ATOM 53319 H2 TIP3 2855 17.241 8.617 33.339 1.00 0.00 WT5 H ATOM 53320 OH2 TIP3 2872 5.031 1.752 -6.123 1.00 0.00 WT5 O ATOM 53321 H1 TIP3 2872 5.491 1.841 0.859 1.00 0.00 WT5 H ATOM 53322 H2 TIP3 2872 1.732 1.663 -11.909 1.00 0.00 WT5 H ATOM 53323 OH2 TIP3 2894 -3.613 4.531 -2.855 1.00 0.00 WT5 O ATOM 53324 H1 TIP3 2894 -4.791 0.196 9.958 1.00 0.00 WT5 H ATOM 53325 H2 TIP3 2894 -21.638 -7.006 -2.113 1.00 0.00 WT5 H ATOM 53326 OH2 TIP3 2895 -0.479 -1.178 -7.798 1.00 0.00 WT5 O ATOM 53327 H1 TIP3 2895 -5.695 11.167 4.773 1.00 0.00 WT5 H ATOM 53328 H2 TIP3 2895 -9.418 3.527 -8.613 1.00 0.00 WT5 H ATOM 53329 OH2 TIP3 2906 -4.276 -1.089 -4.816 1.00 0.00 WT5 O ATOM 53330 H1 TIP3 2906 -17.992 13.821 -0.984 1.00 0.00 WT5 H ATOM 53331 H2 TIP3 2906 9.061 6.854 -12.711 1.00 0.00 WT5 H ATOM 53332 OH2 TIP3 2980 1.541 3.928 0.399 1.00 0.00 WT5 O ATOM 53333 H1 TIP3 2980 3.667 0.849 6.478 1.00 0.00 WT5 H ATOM 53334 H2 TIP3 2980 4.787 1.311 3.548 1.00 0.00 WT5 H ATOM 53335 OH2 TIP3 3029 3.046 -3.651 0.443 1.00 0.00 WT5 O ATOM 53336 H1 TIP3 3029 -8.700 17.388 -8.804 1.00 0.00 WT5 H ATOM 53337 H2 TIP3 3029 5.154 9.903 -15.967 1.00 0.00 WT5 H ATOM 53338 OH2 TIP3 3063 -0.005 0.065 0.738 1.00 0.00 WT5 O ATOM 53339 H1 TIP3 3063 5.396 -1.185 -2.809 1.00 0.00 WT5 H ATOM 53340 H2 TIP3 3063 7.953 0.696 -14.183 1.00 0.00 WT5 H ATOM 53341 OH2 TIP3 3287 -4.938 1.990 5.677 1.00 0.00 WT5 O ATOM 53342 H1 TIP3 3287 -11.617 -9.022 -4.498 1.00 0.00 WT5 H ATOM 53343 H2 TIP3 3287 -15.804 12.499 5.235 1.00 0.00 WT5 H ATOM 53344 OH2 TIP3 3294 -0.688 12.289 1.592 1.00 0.00 WT5 O ATOM 53345 H1 TIP3 3294 -27.850 10.904 -3.477 1.00 0.00 WT5 H ATOM 53346 H2 TIP3 3294 -7.996 0.540 -2.510 1.00 0.00 WT5 H ATOM 53347 OH2 TIP3 3521 2.334 6.375 0.869 1.00 0.00 WT5 O ATOM 53348 H1 TIP3 3521 8.474 3.454 3.507 1.00 0.00 WT5 H ATOM 53349 H2 TIP3 3521 -25.926 13.478 11.546 1.00 0.00 WT5 H ATOM 53350 OH2 TIP3 3665 -1.933 -2.899 6.066 1.00 0.00 WT5 O ATOM 53351 H1 TIP3 3665 2.418 -3.817 6.236 1.00 0.00 WT5 H ATOM 53352 H2 TIP3 3665 -25.545 18.014 12.832 1.00 0.00 WT5 H ATOM 53353 OH2 TIP3 3877 -5.969 -1.712 -3.244 1.00 0.00 WT5 O ATOM 53354 H1 TIP3 3877 10.842 0.056 -19.955 1.00 0.00 WT5 H ATOM 53355 H2 TIP3 3877 -22.184 -2.572 10.970 1.00 0.00 WT5 H ATOM 53356 OH2 TIP3 5421 -5.979 -1.940 0.262 1.00 0.00 WT5 O ATOM 53357 H1 TIP3 5421 -4.839 5.696 6.643 1.00 0.00 WT5 H ATOM 53358 H2 TIP3 5421 -6.154 -10.271 -7.696 1.00 0.00 WT5 H ATOM 53359 OH2 TIP3 6240 4.142 -3.289 2.589 1.00 0.00 WT5 O ATOM 53360 H1 TIP3 6240 5.937 -17.101 17.247 1.00 0.00 WT5 H ATOM 53361 H2 TIP3 6240 -2.748 -27.594 16.143 1.00 0.00 WT5 H ATOM 53362 OH2 TIP3 6350 -1.143 10.897 4.545 1.00 0.00 WT5 O ATOM 53363 H1 TIP3 6350 7.004 9.366 -8.227 1.00 0.00 WT5 H ATOM 53364 H2 TIP3 6350 4.804 11.778 15.424 1.00 0.00 WT5 H ATOM 53365 OH2 TIP3 6479 -1.907 -4.875 1.090 1.00 0.00 WT5 O ATOM 53366 H1 TIP3 6479 -1.060 6.796 -3.585 1.00 0.00 WT5 H ATOM 53367 H2 TIP3 6479 16.838 -9.935 23.661 1.00 0.00 WT5 H ATOM 53368 OH2 TIP3 6628 -0.868 -6.873 8.318 1.00 0.00 WT5 O ATOM 53369 H1 TIP3 6628 6.803 -7.750 19.092 1.00 0.00 WT5 H ATOM 53370 H2 TIP3 6628 -21.851 -8.385 -9.089 1.00 0.00 WT5 H ATOM 53371 OH2 TIP3 6650 4.419 3.867 -0.787 1.00 0.00 WT5 O ATOM 53372 H1 TIP3 6650 20.620 -0.879 -4.657 1.00 0.00 WT5 H ATOM 53373 H2 TIP3 6650 -16.234 8.340 3.193 1.00 0.00 WT5 H ATOM 53374 OH2 TIP3 6671 -3.053 -1.578 -3.409 1.00 0.00 WT5 O ATOM 53375 H1 TIP3 6671 -20.507 0.945 -15.988 1.00 0.00 WT5 H ATOM 53376 H2 TIP3 6671 -1.468 -23.668 2.960 1.00 0.00 WT5 H ATOM 53377 OH2 TIP3 6751 3.351 1.742 -0.979 1.00 0.00 WT5 O ATOM 53378 H1 TIP3 6751 3.829 -0.443 -2.774 1.00 0.00 WT5 H ATOM 53379 H2 TIP3 6751 -5.153 5.916 -4.282 1.00 0.00 WT5 H ATOM 53380 OH2 TIP3 6773 2.624 -5.527 -3.686 1.00 0.00 WT5 O ATOM 53381 H1 TIP3 6773 -12.209 9.736 -8.678 1.00 0.00 WT5 H ATOM 53382 H2 TIP3 6773 15.508 12.329 -8.165 1.00 0.00 WT5 H ATOM 53383 OH2 TIP3 6964 3.384 7.696 3.875 1.00 0.00 WT5 O ATOM 53384 H1 TIP3 6964 8.108 31.821 -8.643 1.00 0.00 WT5 H ATOM 53385 H2 TIP3 6964 -5.018 -6.982 19.958 1.00 0.00 WT5 H ATOM 53386 OH2 TIP3 6980 -1.373 3.545 -5.048 1.00 0.00 WT5 O ATOM 53387 H1 TIP3 6980 -2.738 1.545 -3.462 1.00 0.00 WT5 H ATOM 53388 H2 TIP3 6980 24.734 -5.456 25.024 1.00 0.00 WT5 H ATOM 53389 OH2 TIP3 7027 1.715 2.571 -6.907 1.00 0.00 WT5 O ATOM 53390 H1 TIP3 7027 -10.113 -3.876 1.581 1.00 0.00 WT5 H ATOM 53391 H2 TIP3 7027 0.441 0.846 -15.579 1.00 0.00 WT5 H ATOM 53392 OH2 TIP3 7133 2.043 -8.054 4.054 1.00 0.00 WT5 O ATOM 53393 H1 TIP3 7133 -8.678 -3.195 1.323 1.00 0.00 WT5 H ATOM 53394 H2 TIP3 7133 -38.061 -12.785 -1.010 1.00 0.00 WT5 H ATOM 53395 OH2 TIP3 7165 -4.599 0.220 -2.248 1.00 0.00 WT5 O ATOM 53396 H1 TIP3 7165 5.456 -1.178 11.534 1.00 0.00 WT5 H ATOM 53397 H2 TIP3 7165 -13.854 16.618 3.672 1.00 0.00 WT5 H ATOM 53398 OH2 TIP3 7290 4.369 -4.134 6.939 1.00 0.00 WT5 O ATOM 53399 H1 TIP3 7290 8.991 13.789 11.842 1.00 0.00 WT5 H ATOM 53400 H2 TIP3 7290 13.904 3.964 -8.262 1.00 0.00 WT5 H ATOM 53401 OH2 TIP3 7295 4.022 -5.727 -0.494 1.00 0.00 WT5 O ATOM 53402 H1 TIP3 7295 7.230 10.194 -0.274 1.00 0.00 WT5 H ATOM 53403 H2 TIP3 7295 4.307 -4.038 -0.579 1.00 0.00 WT5 H ATOM 53404 OH2 TIP3 7308 -3.828 0.851 1.875 1.00 0.00 WT5 O ATOM 53405 H1 TIP3 7308 -2.523 5.199 2.404 1.00 0.00 WT5 H ATOM 53406 H2 TIP3 7308 -3.245 3.008 0.245 1.00 0.00 WT5 H ATOM 53407 OH2 TIP3 7427 4.874 -2.146 -2.640 1.00 0.00 WT5 O ATOM 53408 H1 TIP3 7427 -4.799 -15.594 0.800 1.00 0.00 WT5 H ATOM 53409 H2 TIP3 7427 3.319 -9.637 -15.434 1.00 0.00 WT5 H ATOM 53410 OH2 TIP3 7532 -1.389 -7.627 0.482 1.00 0.00 WT5 O ATOM 53411 H1 TIP3 7532 -3.051 -7.576 -2.062 1.00 0.00 WT5 H ATOM 53412 H2 TIP3 7532 -9.665 -11.532 -13.574 1.00 0.00 WT5 H ATOM 53413 OH2 TIP3 7533 0.093 2.835 -1.158 1.00 0.00 WT5 O ATOM 53414 H1 TIP3 7533 7.902 21.514 5.808 1.00 0.00 WT5 H ATOM 53415 H2 TIP3 7533 -4.741 -9.074 3.826 1.00 0.00 WT5 H ATOM 53416 OH2 TIP3 7537 -1.760 -3.751 5.705 1.00 0.00 WT5 O ATOM 53417 H1 TIP3 7537 16.151 -5.865 5.390 1.00 0.00 WT5 H ATOM 53418 H2 TIP3 7537 19.361 10.940 8.429 1.00 0.00 WT5 H ATOM 53419 OH2 TIP3 7563 -4.955 -3.976 1.476 1.00 0.00 WT5 O ATOM 53420 H1 TIP3 7563 -9.738 -5.635 -4.123 1.00 0.00 WT5 H ATOM 53421 H2 TIP3 7563 6.404 1.389 15.056 1.00 0.00 WT5 H ATOM 53422 OH2 TIP3 7568 0.931 5.678 4.086 1.00 0.00 WT5 O ATOM 53423 H1 TIP3 7568 13.163 15.468 4.272 1.00 0.00 WT5 H ATOM 53424 H2 TIP3 7568 0.815 4.518 2.990 1.00 0.00 WT5 H ATOM 53425 OH2 TIP3 7576 -1.887 -5.382 -0.414 1.00 0.00 WT5 O ATOM 53426 H1 TIP3 7576 10.553 -16.867 2.457 1.00 0.00 WT5 H ATOM 53427 H2 TIP3 7576 -4.863 7.496 -12.136 1.00 0.00 WT5 H ATOM 53428 OH2 TIP3 7583 -4.235 4.972 -0.753 1.00 0.00 WT5 O ATOM 53429 H1 TIP3 7583 2.137 -6.557 4.419 1.00 0.00 WT5 H ATOM 53430 H2 TIP3 7583 15.263 -3.420 17.586 1.00 0.00 WT5 H ATOM 53431 OH2 TIP3 7592 2.495 -4.975 1.812 1.00 0.00 WT5 O ATOM 53432 H1 TIP3 7592 9.579 0.608 -3.266 1.00 0.00 WT5 H ATOM 53433 H2 TIP3 7592 24.917 1.809 3.649 1.00 0.00 WT5 H ATOM 53434 OH2 TIP3 7603 5.459 -9.342 -3.155 1.00 0.00 WT5 O ATOM 53435 H1 TIP3 7603 3.550 20.785 -0.324 1.00 0.00 WT5 H ATOM 53436 H2 TIP3 7603 12.850 -7.815 10.436 1.00 0.00 WT5 H ATOM 53437 OH2 TIP3 7607 0.941 -0.251 -0.607 1.00 0.00 WT5 O ATOM 53438 H1 TIP3 7607 6.981 -2.763 14.753 1.00 0.00 WT5 H ATOM 53439 H2 TIP3 7607 2.818 3.764 -15.472 1.00 0.00 WT5 H ATOM 53440 OH2 TIP3 7630 -0.551 6.297 3.732 1.00 0.00 WT5 O ATOM 53441 H1 TIP3 7630 -22.476 17.474 8.982 1.00 0.00 WT5 H ATOM 53442 H2 TIP3 7630 -0.914 6.569 30.078 1.00 0.00 WT5 H ATOM 53443 OH2 TIP3 7631 0.326 -0.140 1.377 1.00 0.00 WT5 O ATOM 53444 H1 TIP3 7631 15.288 9.173 -5.822 1.00 0.00 WT5 H ATOM 53445 H2 TIP3 7631 7.012 5.994 -3.205 1.00 0.00 WT5 H ATOM 53446 OH2 TIP3 7634 2.125 -2.480 3.473 1.00 0.00 WT5 O ATOM 53447 H1 TIP3 7634 16.714 3.086 7.669 1.00 0.00 WT5 H ATOM 53448 H2 TIP3 7634 -0.854 -6.356 -10.153 1.00 0.00 WT5 H ATOM 53449 OH2 TIP3 7642 2.739 7.964 1.527 1.00 0.00 WT5 O ATOM 53450 H1 TIP3 7642 -0.474 -0.615 2.380 1.00 0.00 WT5 H ATOM 53451 H2 TIP3 7642 14.341 -2.720 -7.947 1.00 0.00 WT5 H ATOM 53452 OH2 TIP3 7647 4.211 1.560 -6.641 1.00 0.00 WT5 O ATOM 53453 H1 TIP3 7647 8.575 -4.142 7.798 1.00 0.00 WT5 H ATOM 53454 H2 TIP3 7647 12.226 0.361 -20.522 1.00 0.00 WT5 H ATOM 53455 OH2 TIP3 7650 2.206 6.910 4.300 1.00 0.00 WT5 O ATOM 53456 H1 TIP3 7650 7.018 -0.448 1.590 1.00 0.00 WT5 H ATOM 53457 H2 TIP3 7650 5.886 -0.055 1.603 1.00 0.00 WT5 H ATOM 53458 OH2 TIP3 7661 1.027 3.727 5.542 1.00 0.00 WT5 O ATOM 53459 H1 TIP3 7661 11.618 -9.490 2.487 1.00 0.00 WT5 H ATOM 53460 H2 TIP3 7661 10.173 -21.888 -15.317 1.00 0.00 WT5 H ATOM 53461 OH2 TIP3 7707 -6.086 -1.806 -0.714 1.00 0.00 WT5 O ATOM 53462 H1 TIP3 7707 -22.547 -5.141 21.186 1.00 0.00 WT5 H ATOM 53463 H2 TIP3 7707 -24.215 -0.275 14.153 1.00 0.00 WT5 H ATOM 53464 OH2 TIP3 7715 8.329 5.911 -1.165 1.00 0.00 WT5 O ATOM 53465 H1 TIP3 7715 2.002 10.407 -0.924 1.00 0.00 WT5 H ATOM 53466 H2 TIP3 7715 6.518 -5.034 -3.736 1.00 0.00 WT5 H ATOM 53467 OH2 TIP3 7739 6.449 6.826 0.462 1.00 0.00 WT5 O ATOM 53468 H1 TIP3 7739 8.426 -3.903 21.087 1.00 0.00 WT5 H ATOM 53469 H2 TIP3 7739 -7.629 -1.722 -10.446 1.00 0.00 WT5 H ATOM 53470 OH2 TIP3 7748 -0.107 -2.451 -0.401 1.00 0.00 WT5 O ATOM 53471 H1 TIP3 7748 -16.674 -8.124 -1.666 1.00 0.00 WT5 H ATOM 53472 H2 TIP3 7748 19.230 -4.860 8.704 1.00 0.00 WT5 H ATOM 53473 OH2 TIP3 7784 0.627 -7.813 4.249 1.00 0.00 WT5 O ATOM 53474 H1 TIP3 7784 -1.368 3.259 1.978 1.00 0.00 WT5 H ATOM 53475 H2 TIP3 7784 -2.298 5.725 10.972 1.00 0.00 WT5 H ATOM 53476 OH2 TIP3 7833 -0.006 -1.108 0.648 1.00 0.00 WT5 O ATOM 53477 H1 TIP3 7833 0.849 -14.521 -14.821 1.00 0.00 WT5 H ATOM 53478 H2 TIP3 7833 11.966 5.812 -6.758 1.00 0.00 WT5 H ATOM 53479 OH2 TIP3 7846 -0.051 3.824 -6.022 1.00 0.00 WT5 O ATOM 53480 H1 TIP3 7846 -2.410 -8.135 4.705 1.00 0.00 WT5 H ATOM 53481 H2 TIP3 7846 -0.480 7.827 -12.987 1.00 0.00 WT5 H ATOM 53482 OH2 TIP3 7925 6.364 -5.948 1.872 1.00 0.00 WT5 O ATOM 53483 H1 TIP3 7925 17.272 -13.968 -26.654 1.00 0.00 WT5 H ATOM 53484 H2 TIP3 7925 25.181 15.221 -13.864 1.00 0.00 WT5 H ATOM 53485 OH2 TIP3 7944 6.661 -2.734 -6.804 1.00 0.00 WT5 O ATOM 53486 H1 TIP3 7944 6.079 14.902 10.004 1.00 0.00 WT5 H ATOM 53487 H2 TIP3 7944 5.735 -5.377 -9.728 1.00 0.00 WT5 H ATOM 53488 OH2 TIP3 7951 4.712 -0.154 2.681 1.00 0.00 WT5 O ATOM 53489 H1 TIP3 7951 -15.989 10.184 -3.247 1.00 0.00 WT5 H ATOM 53490 H2 TIP3 7951 -14.929 9.091 -6.458 1.00 0.00 WT5 H ATOM 53491 OH2 TIP3 7959 2.561 -2.387 7.230 1.00 0.00 WT5 O ATOM 53492 H1 TIP3 7959 36.522 -7.956 4.249 1.00 0.00 WT5 H ATOM 53493 H2 TIP3 7959 6.321 -7.440 -10.200 1.00 0.00 WT5 H ATOM 53494 OH2 TIP3 7978 3.418 -1.623 2.660 1.00 0.00 WT5 O ATOM 53495 H1 TIP3 7978 5.396 -6.437 19.614 1.00 0.00 WT5 H ATOM 53496 H2 TIP3 7978 0.474 -8.613 -1.629 1.00 0.00 WT5 H ATOM 53497 OH2 TIP3 7979 -6.578 -2.149 -0.049 1.00 0.00 WT5 O ATOM 53498 H1 TIP3 7979 -8.523 1.861 7.852 1.00 0.00 WT5 H ATOM 53499 H2 TIP3 7979 -7.792 -2.269 1.055 1.00 0.00 WT5 H ATOM 53500 OH2 TIP3 7985 -2.029 -1.701 -6.053 1.00 0.00 WT5 O ATOM 53501 H1 TIP3 7985 17.200 -30.298 -39.256 1.00 0.00 WT5 H ATOM 53502 H2 TIP3 7985 0.763 23.441 8.373 1.00 0.00 WT5 H ATOM 53503 OH2 TIP3 7997 6.545 7.428 1.955 1.00 0.00 WT5 O ATOM 53504 H1 TIP3 7997 -2.744 -8.733 -29.008 1.00 0.00 WT5 H ATOM 53505 H2 TIP3 7997 -3.694 24.312 1.612 1.00 0.00 WT5 H ATOM 53506 OH2 TIP3 7998 2.203 3.004 -1.977 1.00 0.00 WT5 O ATOM 53507 H1 TIP3 7998 -6.354 -6.509 3.829 1.00 0.00 WT5 H ATOM 53508 H2 TIP3 7998 20.107 1.659 -10.105 1.00 0.00 WT5 H ATOM 53509 OH2 TIP3 8000 3.235 -1.539 2.718 1.00 0.00 WT5 O ATOM 53510 H1 TIP3 8000 -24.455 27.398 4.901 1.00 0.00 WT5 H ATOM 53511 H2 TIP3 8000 11.248 -10.267 -36.261 1.00 0.00 WT5 H ATOM 53512 OH2 TIP3 8014 5.350 -2.049 -2.938 1.00 0.00 WT5 O ATOM 53513 H1 TIP3 8014 12.418 11.677 -2.065 1.00 0.00 WT5 H ATOM 53514 H2 TIP3 8014 5.942 -3.049 1.696 1.00 0.00 WT5 H ATOM 53515 OH2 TIP3 8023 -5.554 -4.811 1.957 1.00 0.00 WT5 O ATOM 53516 H1 TIP3 8023 -7.261 -1.909 12.905 1.00 0.00 WT5 H ATOM 53517 H2 TIP3 8023 -19.348 -1.504 -10.391 1.00 0.00 WT5 H ATOM 53518 OH2 TIP3 8024 -2.236 -2.514 -5.815 1.00 0.00 WT5 O ATOM 53519 H1 TIP3 8024 14.672 -0.534 -2.248 1.00 0.00 WT5 H ATOM 53520 H2 TIP3 8024 -3.355 1.878 -17.039 1.00 0.00 WT5 H ATOM 53521 OH2 TIP3 8031 -0.630 0.105 0.961 1.00 0.00 WT5 O ATOM 53522 H1 TIP3 8031 5.569 -6.222 -10.157 1.00 0.00 WT5 H ATOM 53523 H2 TIP3 8031 -8.018 -7.590 -9.095 1.00 0.00 WT5 H ATOM 53524 OH2 TIP3 8034 -3.996 -0.684 6.497 1.00 0.00 WT5 O ATOM 53525 H1 TIP3 8034 8.588 -7.575 -13.135 1.00 0.00 WT5 H ATOM 53526 H2 TIP3 8034 -1.479 -0.435 4.178 1.00 0.00 WT5 H ATOM 53527 OH2 TIP3 8046 4.127 -1.089 -1.691 1.00 0.00 WT5 O ATOM 53528 H1 TIP3 8046 3.349 -8.426 -7.198 1.00 0.00 WT5 H ATOM 53529 H2 TIP3 8046 4.888 7.023 3.811 1.00 0.00 WT5 H ATOM 53530 OH2 TIP3 8064 -3.510 5.494 0.658 1.00 0.00 WT5 O ATOM 53531 H1 TIP3 8064 -4.676 17.429 -0.314 1.00 0.00 WT5 H ATOM 53532 H2 TIP3 8064 -0.633 5.069 11.721 1.00 0.00 WT5 H ATOM 53533 OH2 TIP3 8067 -4.523 -3.380 -1.274 1.00 0.00 WT5 O ATOM 53534 H1 TIP3 8067 4.643 11.392 -9.633 1.00 0.00 WT5 H ATOM 53535 H2 TIP3 8067 0.172 -2.329 21.955 1.00 0.00 WT5 H ATOM 53536 OH2 TIP3 8068 2.440 1.236 4.168 1.00 0.00 WT5 O ATOM 53537 H1 TIP3 8068 3.274 0.434 31.480 1.00 0.00 WT5 H ATOM 53538 H2 TIP3 8068 16.977 -7.771 -2.338 1.00 0.00 WT5 H ATOM 53539 OH2 TIP3 8079 -1.841 -5.692 3.437 1.00 0.00 WT5 O ATOM 53540 H1 TIP3 8079 -0.332 12.752 -16.122 1.00 0.00 WT5 H ATOM 53541 H2 TIP3 8079 -3.208 -4.963 5.829 1.00 0.00 WT5 H ATOM 53542 OH2 TIP3 8123 6.450 1.138 -2.654 1.00 0.00 WT5 O ATOM 53543 H1 TIP3 8123 -7.611 -15.711 7.454 1.00 0.00 WT5 H ATOM 53544 H2 TIP3 8123 1.091 -2.029 -1.285 1.00 0.00 WT5 H ATOM 53545 OH2 TIP3 8133 1.987 -2.419 4.093 1.00 0.00 WT5 O ATOM 53546 H1 TIP3 8133 -3.540 -4.888 6.259 1.00 0.00 WT5 H ATOM 53547 H2 TIP3 8133 1.316 6.935 2.170 1.00 0.00 WT5 H ATOM 53548 OH2 TIP3 8136 -5.361 -1.931 -7.069 1.00 0.00 WT5 O ATOM 53549 H1 TIP3 8136 -16.010 -9.615 -25.001 1.00 0.00 WT5 H ATOM 53550 H2 TIP3 8136 -11.101 -17.018 9.162 1.00 0.00 WT5 H ATOM 53551 OH2 TIP3 8140 1.698 1.131 -0.592 1.00 0.00 WT5 O ATOM 53552 H1 TIP3 8140 -13.573 3.954 1.247 1.00 0.00 WT5 H ATOM 53553 H2 TIP3 8140 7.896 2.435 0.881 1.00 0.00 WT5 H ATOM 53554 OH2 TIP3 8141 3.860 -5.493 6.435 1.00 0.00 WT5 O ATOM 53555 H1 TIP3 8141 4.876 -2.606 9.173 1.00 0.00 WT5 H ATOM 53556 H2 TIP3 8141 -0.131 -3.274 4.440 1.00 0.00 WT5 H ATOM 53557 OH2 TIP3 8161 -1.519 2.966 2.426 1.00 0.00 WT5 O ATOM 53558 H1 TIP3 8161 -18.162 -11.735 -23.098 1.00 0.00 WT5 H ATOM 53559 H2 TIP3 8161 26.031 9.309 -1.344 1.00 0.00 WT5 H ATOM 53560 OH2 TIP3 8173 -5.438 1.024 5.030 1.00 0.00 WT5 O ATOM 53561 H1 TIP3 8173 16.384 0.163 -15.888 1.00 0.00 WT5 H ATOM 53562 H2 TIP3 8173 -18.260 -6.551 -14.786 1.00 0.00 WT5 H ATOM 53563 OH2 TIP3 8174 2.424 -7.823 -0.449 1.00 0.00 WT5 O ATOM 53564 H1 TIP3 8174 6.576 -8.504 -3.471 1.00 0.00 WT5 H ATOM 53565 H2 TIP3 8174 -2.385 16.504 -0.127 1.00 0.00 WT5 H ATOM 53566 OH2 TIP3 8176 0.682 -1.824 -1.218 1.00 0.00 WT5 O ATOM 53567 H1 TIP3 8176 24.002 8.699 -7.501 1.00 0.00 WT5 H ATOM 53568 H2 TIP3 8176 -8.716 -20.832 -14.716 1.00 0.00 WT5 H ATOM 53569 OH2 TIP3 8183 2.882 4.892 -3.506 1.00 0.00 WT5 O ATOM 53570 H1 TIP3 8183 -5.360 -17.694 -6.181 1.00 0.00 WT5 H ATOM 53571 H2 TIP3 8183 8.129 5.084 1.496 1.00 0.00 WT5 H ATOM 53572 OH2 TIP3 8191 -5.435 -7.272 0.938 1.00 0.00 WT5 O ATOM 53573 H1 TIP3 8191 10.061 6.117 -1.810 1.00 0.00 WT5 H ATOM 53574 H2 TIP3 8191 -12.720 -7.234 0.582 1.00 0.00 WT5 H ATOM 53575 OH2 TIP3 8193 -3.021 -0.673 -0.262 1.00 0.00 WT5 O ATOM 53576 H1 TIP3 8193 -0.267 -17.237 -3.125 1.00 0.00 WT5 H ATOM 53577 H2 TIP3 8193 -43.121 8.037 2.020 1.00 0.00 WT5 H ATOM 53578 OH2 TIP3 8218 -7.574 2.087 -0.804 1.00 0.00 WT5 O ATOM 53579 H1 TIP3 8218 3.204 5.788 0.132 1.00 0.00 WT5 H ATOM 53580 H2 TIP3 8218 -2.372 -3.151 9.584 1.00 0.00 WT5 H ATOM 53581 OH2 TIP3 8222 2.897 -0.344 -3.903 1.00 0.00 WT5 O ATOM 53582 H1 TIP3 8222 -16.097 8.716 -20.402 1.00 0.00 WT5 H ATOM 53583 H2 TIP3 8222 23.291 2.236 20.073 1.00 0.00 WT5 H ATOM 53584 OH2 TIP3 8229 -1.751 -6.816 10.398 1.00 0.00 WT5 O ATOM 53585 H1 TIP3 8229 -27.081 4.823 19.531 1.00 0.00 WT5 H ATOM 53586 H2 TIP3 8229 -10.180 -18.360 24.921 1.00 0.00 WT5 H ATOM 53587 OH2 TIP3 8230 -6.099 0.034 -0.013 1.00 0.00 WT5 O ATOM 53588 H1 TIP3 8230 20.345 12.294 -10.974 1.00 0.00 WT5 H ATOM 53589 H2 TIP3 8230 2.222 -4.927 -2.056 1.00 0.00 WT5 H ATOM 53590 OH2 TIP3 8260 -1.318 -2.934 0.031 1.00 0.00 WT5 O ATOM 53591 H1 TIP3 8260 -16.011 2.507 -17.127 1.00 0.00 WT5 H ATOM 53592 H2 TIP3 8260 -7.067 10.156 -9.492 1.00 0.00 WT5 H ATOM 53593 OH2 TIP3 8263 -4.473 -4.101 -3.708 1.00 0.00 WT5 O ATOM 53594 H1 TIP3 8263 28.824 -7.746 -3.857 1.00 0.00 WT5 H ATOM 53595 H2 TIP3 8263 -24.316 -3.068 -4.971 1.00 0.00 WT5 H ATOM 53596 OH2 TIP3 8264 3.201 1.881 3.651 1.00 0.00 WT5 O ATOM 53597 H1 TIP3 8264 2.939 2.368 2.892 1.00 0.00 WT5 H ATOM 53598 H2 TIP3 8264 -22.624 -16.586 -26.696 1.00 0.00 WT5 H ATOM 53599 OH2 TIP3 8265 -2.786 -5.818 3.418 1.00 0.00 WT5 O ATOM 53600 H1 TIP3 8265 -3.180 -2.462 2.265 1.00 0.00 WT5 H ATOM 53601 H2 TIP3 8265 16.139 -11.003 -19.112 1.00 0.00 WT5 H ATOM 53602 OH2 TIP3 8266 -4.927 -0.636 -0.990 1.00 0.00 WT5 O ATOM 53603 H1 TIP3 8266 12.783 -10.013 14.076 1.00 0.00 WT5 H ATOM 53604 H2 TIP3 8266 -3.778 -0.851 0.225 1.00 0.00 WT5 H ATOM 53605 OH2 TIP3 8278 0.482 -3.637 -3.370 1.00 0.00 WT5 O ATOM 53606 H1 TIP3 8278 15.722 -25.277 -3.281 1.00 0.00 WT5 H ATOM 53607 H2 TIP3 8278 1.092 6.242 6.505 1.00 0.00 WT5 H ATOM 53608 OH2 TIP3 8290 -0.401 -7.158 2.316 1.00 0.00 WT5 O ATOM 53609 H1 TIP3 8290 0.835 2.688 -16.488 1.00 0.00 WT5 H ATOM 53610 H2 TIP3 8290 -9.765 7.382 -8.411 1.00 0.00 WT5 H ATOM 53611 OH2 TIP3 8308 10.082 2.689 -2.559 1.00 0.00 WT5 O ATOM 53612 H1 TIP3 8308 6.506 2.995 -6.956 1.00 0.00 WT5 H ATOM 53613 H2 TIP3 8308 9.521 2.150 10.599 1.00 0.00 WT5 H ATOM 53614 OH2 TIP3 8309 4.222 5.613 5.018 1.00 0.00 WT5 O ATOM 53615 H1 TIP3 8309 -24.139 -29.753 -24.111 1.00 0.00 WT5 H ATOM 53616 H2 TIP3 8309 -4.486 -8.544 8.957 1.00 0.00 WT5 H ATOM 53617 OH2 TIP3 8328 0.955 -5.320 -8.346 1.00 0.00 WT5 O ATOM 53618 H1 TIP3 8328 1.983 -7.717 1.277 1.00 0.00 WT5 H ATOM 53619 H2 TIP3 8328 4.569 9.360 2.172 1.00 0.00 WT5 H ATOM 53620 OH2 TIP3 8330 5.466 -0.178 2.054 1.00 0.00 WT5 O ATOM 53621 H1 TIP3 8330 10.774 14.168 3.916 1.00 0.00 WT5 H ATOM 53622 H2 TIP3 8330 -8.598 -16.039 1.196 1.00 0.00 WT5 H ATOM 53623 OH2 TIP3 8351 2.691 -3.735 0.914 1.00 0.00 WT5 O ATOM 53624 H1 TIP3 8351 6.585 -19.344 6.679 1.00 0.00 WT5 H ATOM 53625 H2 TIP3 8351 8.743 9.008 10.949 1.00 0.00 WT5 H ATOM 53626 OH2 TIP3 8352 0.050 1.371 2.489 1.00 0.00 WT5 O ATOM 53627 H1 TIP3 8352 3.057 23.429 17.706 1.00 0.00 WT5 H ATOM 53628 H2 TIP3 8352 4.190 10.468 4.697 1.00 0.00 WT5 H ATOM 53629 OH2 TIP3 8357 -0.917 -0.605 1.832 1.00 0.00 WT5 O ATOM 53630 H1 TIP3 8357 1.638 0.692 2.779 1.00 0.00 WT5 H ATOM 53631 H2 TIP3 8357 14.793 5.994 -5.299 1.00 0.00 WT5 H ATOM 53632 OH2 TIP3 8361 3.524 6.005 3.979 1.00 0.00 WT5 O ATOM 53633 H1 TIP3 8361 27.361 2.077 14.743 1.00 0.00 WT5 H ATOM 53634 H2 TIP3 8361 -14.046 10.585 -18.024 1.00 0.00 WT5 H ATOM 53635 OH2 TIP3 8368 1.068 -4.005 -1.941 1.00 0.00 WT5 O ATOM 53636 H1 TIP3 8368 -13.490 16.046 15.552 1.00 0.00 WT5 H ATOM 53637 H2 TIP3 8368 -14.875 2.437 2.360 1.00 0.00 WT5 H ATOM 53638 OH2 TIP3 8375 -5.686 -0.879 2.421 1.00 0.00 WT5 O ATOM 53639 H1 TIP3 8375 8.807 -16.216 13.841 1.00 0.00 WT5 H ATOM 53640 H2 TIP3 8375 -4.269 21.272 16.043 1.00 0.00 WT5 H ATOM 53641 OH2 TIP3 8376 3.006 -3.092 7.536 1.00 0.00 WT5 O ATOM 53642 H1 TIP3 8376 -6.815 7.368 15.770 1.00 0.00 WT5 H ATOM 53643 H2 TIP3 8376 0.064 -5.958 -6.005 1.00 0.00 WT5 H ATOM 53644 OH2 TIP3 8383 1.294 1.382 -3.577 1.00 0.00 WT5 O ATOM 53645 H1 TIP3 8383 -40.402 -24.128 11.853 1.00 0.00 WT5 H ATOM 53646 H2 TIP3 8383 8.203 2.335 -8.891 1.00 0.00 WT5 H ATOM 53647 OH2 TIP3 8393 -0.586 0.577 1.290 1.00 0.00 WT5 O ATOM 53648 H1 TIP3 8393 -4.844 16.459 -5.934 1.00 0.00 WT5 H ATOM 53649 H2 TIP3 8393 -13.056 -6.794 12.542 1.00 0.00 WT5 H ATOM 53650 OH2 TIP3 8395 4.183 4.171 5.366 1.00 0.00 WT5 O ATOM 53651 H1 TIP3 8395 -23.510 8.693 -5.110 1.00 0.00 WT5 H ATOM 53652 H2 TIP3 8395 14.944 1.949 18.423 1.00 0.00 WT5 H ATOM 53653 OH2 TIP3 8403 -0.573 7.748 0.751 1.00 0.00 WT5 O ATOM 53654 H1 TIP3 8403 -2.499 0.334 -4.392 1.00 0.00 WT5 H ATOM 53655 H2 TIP3 8403 7.729 27.048 15.191 1.00 0.00 WT5 H ATOM 53656 OH2 TIP3 8408 3.000 5.967 1.973 1.00 0.00 WT5 O ATOM 53657 H1 TIP3 8408 25.783 2.458 -5.862 1.00 0.00 WT5 H ATOM 53658 H2 TIP3 8408 -13.555 -11.864 -20.764 1.00 0.00 WT5 H ATOM 53659 OH2 TIP3 8411 1.771 -3.750 -3.978 1.00 0.00 WT5 O ATOM 53660 H1 TIP3 8411 -8.813 -7.131 -30.771 1.00 0.00 WT5 H ATOM 53661 H2 TIP3 8411 0.210 10.779 -8.013 1.00 0.00 WT5 H ATOM 53662 OH2 TIP3 8414 -0.926 -1.639 -1.007 1.00 0.00 WT5 O ATOM 53663 H1 TIP3 8414 -4.658 -0.623 9.447 1.00 0.00 WT5 H ATOM 53664 H2 TIP3 8414 -2.677 1.359 2.291 1.00 0.00 WT5 H ATOM 53665 OH2 TIP3 8419 3.158 -0.659 4.938 1.00 0.00 WT5 O ATOM 53666 H1 TIP3 8419 4.767 -8.903 16.136 1.00 0.00 WT5 H ATOM 53667 H2 TIP3 8419 5.339 17.678 -0.150 1.00 0.00 WT5 H ATOM 53668 OH2 TIP3 8425 -1.338 6.432 -2.721 1.00 0.00 WT5 O ATOM 53669 H1 TIP3 8425 4.742 20.324 -15.136 1.00 0.00 WT5 H ATOM 53670 H2 TIP3 8425 2.159 -17.683 17.089 1.00 0.00 WT5 H ATOM 53671 OH2 TIP3 8440 -4.772 2.024 3.698 1.00 0.00 WT5 O ATOM 53672 H1 TIP3 8440 -20.626 16.032 -6.404 1.00 0.00 WT5 H ATOM 53673 H2 TIP3 8440 9.676 6.366 20.870 1.00 0.00 WT5 H ATOM 53674 OH2 TIP3 8448 -3.232 -1.051 2.422 1.00 0.00 WT5 O ATOM 53675 H1 TIP3 8448 -7.692 -13.360 10.003 1.00 0.00 WT5 H ATOM 53676 H2 TIP3 8448 11.074 -3.164 -0.432 1.00 0.00 WT5 H ATOM 53677 OH2 TIP3 8452 -4.855 3.990 0.021 1.00 0.00 WT5 O ATOM 53678 H1 TIP3 8452 -8.198 1.712 -7.846 1.00 0.00 WT5 H ATOM 53679 H2 TIP3 8452 2.242 -1.959 -2.836 1.00 0.00 WT5 H ATOM 53680 OH2 TIP3 8459 -3.230 4.448 -0.895 1.00 0.00 WT5 O ATOM 53681 H1 TIP3 8459 -2.093 6.231 -1.591 1.00 0.00 WT5 H ATOM 53682 H2 TIP3 8459 -5.037 4.511 0.468 1.00 0.00 WT5 H ATOM 53683 OH2 TIP3 8466 6.054 3.862 8.149 1.00 0.00 WT5 O ATOM 53684 H1 TIP3 8466 37.348 4.446 23.366 1.00 0.00 WT5 H ATOM 53685 H2 TIP3 8466 6.932 4.178 5.836 1.00 0.00 WT5 H ATOM 53686 OH2 TIP3 8468 1.212 -6.723 -1.839 1.00 0.00 WT5 O ATOM 53687 H1 TIP3 8468 2.003 -6.202 2.425 1.00 0.00 WT5 H ATOM 53688 H2 TIP3 8468 16.722 20.687 20.593 1.00 0.00 WT5 H ATOM 53689 OH2 TIP3 8488 1.444 4.763 -4.287 1.00 0.00 WT5 O ATOM 53690 H1 TIP3 8488 2.394 9.084 -6.255 1.00 0.00 WT5 H ATOM 53691 H2 TIP3 8488 -7.123 3.062 3.578 1.00 0.00 WT5 H ATOM 53692 OH2 TIP3 8492 0.903 9.569 1.308 1.00 0.00 WT5 O ATOM 53693 H1 TIP3 8492 3.093 7.248 9.230 1.00 0.00 WT5 H ATOM 53694 H2 TIP3 8492 16.351 7.010 28.233 1.00 0.00 WT5 H ATOM 53695 OH2 TIP3 8500 3.669 -2.877 -1.510 1.00 0.00 WT5 O ATOM 53696 H1 TIP3 8500 3.753 11.183 9.260 1.00 0.00 WT5 H ATOM 53697 H2 TIP3 8500 16.434 -14.348 7.259 1.00 0.00 WT5 H ATOM 53698 OH2 TIP3 8518 -0.444 1.201 -3.280 1.00 0.00 WT5 O ATOM 53699 H1 TIP3 8518 12.264 15.232 -22.032 1.00 0.00 WT5 H ATOM 53700 H2 TIP3 8518 -10.064 -7.316 2.928 1.00 0.00 WT5 H ATOM 53701 OH2 TIP3 8520 0.991 -0.420 -1.433 1.00 0.00 WT5 O ATOM 53702 H1 TIP3 8520 -8.058 -22.516 -2.425 1.00 0.00 WT5 H ATOM 53703 H2 TIP3 8520 19.606 28.267 -4.523 1.00 0.00 WT5 H ATOM 53704 OH2 TIP3 8534 -1.039 3.535 5.019 1.00 0.00 WT5 O ATOM 53705 H1 TIP3 8534 5.427 13.975 7.453 1.00 0.00 WT5 H ATOM 53706 H2 TIP3 8534 9.087 -6.972 9.466 1.00 0.00 WT5 H ATOM 53707 OH2 TIP3 8536 -5.286 -2.812 -0.216 1.00 0.00 WT5 O ATOM 53708 H1 TIP3 8536 -34.241 -7.681 -15.865 1.00 0.00 WT5 H ATOM 53709 H2 TIP3 8536 1.697 9.359 -7.681 1.00 0.00 WT5 H ATOM 53710 OH2 TIP3 8537 0.769 -0.145 3.039 1.00 0.00 WT5 O ATOM 53711 H1 TIP3 8537 8.044 8.525 -3.511 1.00 0.00 WT5 H ATOM 53712 H2 TIP3 8537 -0.526 -11.842 34.946 1.00 0.00 WT5 H ATOM 53713 OH2 TIP3 8549 -0.501 0.669 3.400 1.00 0.00 WT5 O ATOM 53714 H1 TIP3 8549 3.120 11.284 -30.401 1.00 0.00 WT5 H ATOM 53715 H2 TIP3 8549 -6.238 5.785 -1.699 1.00 0.00 WT5 H ATOM 53716 OH2 TIP3 8556 -0.933 2.226 3.819 1.00 0.00 WT5 O ATOM 53717 H1 TIP3 8556 -15.412 -0.342 2.742 1.00 0.00 WT5 H ATOM 53718 H2 TIP3 8556 12.492 4.207 2.611 1.00 0.00 WT5 H ATOM 53719 OH2 TIP3 8558 0.093 -5.653 -2.611 1.00 0.00 WT5 O ATOM 53720 H1 TIP3 8558 -15.936 8.972 -8.797 1.00 0.00 WT5 H ATOM 53721 H2 TIP3 8558 14.683 -17.303 -0.803 1.00 0.00 WT5 H ATOM 53722 OH2 TIP3 8560 -8.127 3.677 7.686 1.00 0.00 WT5 O ATOM 53723 H1 TIP3 8560 4.713 -37.737 -1.504 1.00 0.00 WT5 H ATOM 53724 H2 TIP3 8560 -13.277 11.720 -18.054 1.00 0.00 WT5 H ATOM 53725 OH2 TIP3 8566 -3.032 -0.489 -2.579 1.00 0.00 WT5 O ATOM 53726 H1 TIP3 8566 -9.636 3.409 -11.759 1.00 0.00 WT5 H ATOM 53727 H2 TIP3 8566 -8.772 5.713 -0.529 1.00 0.00 WT5 H ATOM 53728 OH2 TIP3 8567 -8.421 -2.083 0.204 1.00 0.00 WT5 O ATOM 53729 H1 TIP3 8567 4.519 -15.412 17.644 1.00 0.00 WT5 H ATOM 53730 H2 TIP3 8567 0.897 -2.164 -14.381 1.00 0.00 WT5 H ATOM 53731 OH2 TIP3 8570 5.631 1.611 -9.455 1.00 0.00 WT5 O ATOM 53732 H1 TIP3 8570 11.893 9.257 -13.956 1.00 0.00 WT5 H ATOM 53733 H2 TIP3 8570 3.881 0.135 -10.350 1.00 0.00 WT5 H ATOM 53734 OH2 TIP3 8574 3.071 0.698 -2.976 1.00 0.00 WT5 O ATOM 53735 H1 TIP3 8574 -8.524 -12.353 -23.244 1.00 0.00 WT5 H ATOM 53736 H2 TIP3 8574 5.691 -4.159 -38.580 1.00 0.00 WT5 H ATOM 53737 OH2 TIP3 8585 3.468 5.652 1.002 1.00 0.00 WT5 O ATOM 53738 H1 TIP3 8585 -3.493 2.704 -0.233 1.00 0.00 WT5 H ATOM 53739 H2 TIP3 8585 7.265 19.239 -20.842 1.00 0.00 WT5 H ATOM 53740 OH2 TIP3 8600 0.298 0.019 2.967 1.00 0.00 WT5 O ATOM 53741 H1 TIP3 8600 -6.724 -10.650 -10.149 1.00 0.00 WT5 H ATOM 53742 H2 TIP3 8600 14.954 -2.780 -5.808 1.00 0.00 WT5 H ATOM 53743 OH2 TIP3 8608 5.035 -0.047 8.079 1.00 0.00 WT5 O ATOM 53744 H1 TIP3 8608 -2.329 -9.586 -13.300 1.00 0.00 WT5 H ATOM 53745 H2 TIP3 8608 3.442 11.159 -1.086 1.00 0.00 WT5 H ATOM 53746 OH2 TIP3 8622 0.357 -6.054 3.266 1.00 0.00 WT5 O ATOM 53747 H1 TIP3 8622 -14.141 6.953 7.488 1.00 0.00 WT5 H ATOM 53748 H2 TIP3 8622 -2.644 -6.051 1.676 1.00 0.00 WT5 H ATOM 53749 OH2 TIP3 8626 -0.902 -0.106 -0.272 1.00 0.00 WT5 O ATOM 53750 H1 TIP3 8626 31.876 -5.316 -24.115 1.00 0.00 WT5 H ATOM 53751 H2 TIP3 8626 -7.638 0.906 3.182 1.00 0.00 WT5 H ATOM 53752 OH2 TIP3 8628 -0.501 6.867 -7.626 1.00 0.00 WT5 O ATOM 53753 H1 TIP3 8628 2.862 11.218 4.890 1.00 0.00 WT5 H ATOM 53754 H2 TIP3 8628 -5.666 5.401 -8.162 1.00 0.00 WT5 H ATOM 53755 OH2 TIP3 8642 -1.328 -0.692 0.634 1.00 0.00 WT5 O ATOM 53756 H1 TIP3 8642 2.490 -15.414 -6.397 1.00 0.00 WT5 H ATOM 53757 H2 TIP3 8642 -9.131 -10.317 -10.068 1.00 0.00 WT5 H ATOM 53758 OH2 TIP3 8645 -0.190 -9.642 0.878 1.00 0.00 WT5 O ATOM 53759 H1 TIP3 8645 -7.471 9.161 -10.726 1.00 0.00 WT5 H ATOM 53760 H2 TIP3 8645 -0.714 -17.571 -7.639 1.00 0.00 WT5 H ATOM 53761 OH2 TIP3 8653 3.942 0.958 2.510 1.00 0.00 WT5 O ATOM 53762 H1 TIP3 8653 0.994 18.952 -9.010 1.00 0.00 WT5 H ATOM 53763 H2 TIP3 8653 11.779 9.645 22.501 1.00 0.00 WT5 H ATOM 53764 OH2 TIP3 8658 0.223 5.235 0.317 1.00 0.00 WT5 O ATOM 53765 H1 TIP3 8658 -0.313 -0.988 -8.088 1.00 0.00 WT5 H ATOM 53766 H2 TIP3 8658 1.940 -4.003 0.751 1.00 0.00 WT5 H ATOM 53767 OH2 TIP3 8661 -0.149 -8.935 -7.815 1.00 0.00 WT5 O ATOM 53768 H1 TIP3 8661 6.811 -19.956 13.161 1.00 0.00 WT5 H ATOM 53769 H2 TIP3 8661 -1.432 -28.952 -30.480 1.00 0.00 WT5 H ATOM 53770 OH2 TIP3 8662 0.673 -0.904 -0.997 1.00 0.00 WT5 O ATOM 53771 H1 TIP3 8662 -9.719 5.009 5.885 1.00 0.00 WT5 H ATOM 53772 H2 TIP3 8662 0.742 6.025 7.876 1.00 0.00 WT5 H ATOM 53773 OH2 TIP3 8666 0.541 2.909 6.583 1.00 0.00 WT5 O ATOM 53774 H1 TIP3 8666 11.655 -10.847 9.867 1.00 0.00 WT5 H ATOM 53775 H2 TIP3 8666 13.050 -12.781 15.430 1.00 0.00 WT5 H ATOM 53776 OH2 TIP3 8675 -0.187 3.654 -2.336 1.00 0.00 WT5 O ATOM 53777 H1 TIP3 8675 -12.408 15.245 -26.761 1.00 0.00 WT5 H ATOM 53778 H2 TIP3 8675 1.566 12.835 11.111 1.00 0.00 WT5 H ATOM 53779 OH2 TIP3 8679 8.161 -6.555 -0.450 1.00 0.00 WT5 O ATOM 53780 H1 TIP3 8679 -13.948 -31.126 -14.050 1.00 0.00 WT5 H ATOM 53781 H2 TIP3 8679 2.965 -13.294 -6.209 1.00 0.00 WT5 H ATOM 53782 OH2 TIP3 8680 4.670 -0.206 -6.997 1.00 0.00 WT5 O ATOM 53783 H1 TIP3 8680 7.199 2.306 -4.590 1.00 0.00 WT5 H ATOM 53784 H2 TIP3 8680 14.280 7.242 2.865 1.00 0.00 WT5 H ATOM 53785 OH2 TIP3 8683 -6.983 -3.175 -7.212 1.00 0.00 WT5 O ATOM 53786 H1 TIP3 8683 -10.601 -1.488 -1.125 1.00 0.00 WT5 H ATOM 53787 H2 TIP3 8683 -10.513 4.981 -8.620 1.00 0.00 WT5 H ATOM 53788 OH2 TIP3 8687 4.880 -6.761 1.609 1.00 0.00 WT5 O ATOM 53789 H1 TIP3 8687 7.714 -4.601 -3.859 1.00 0.00 WT5 H ATOM 53790 H2 TIP3 8687 8.762 -6.470 -1.960 1.00 0.00 WT5 H ATOM 53791 OH2 TIP3 8688 2.247 -2.526 6.843 1.00 0.00 WT5 O ATOM 53792 H1 TIP3 8688 2.147 -5.075 9.727 1.00 0.00 WT5 H ATOM 53793 H2 TIP3 8688 2.108 6.232 -1.774 1.00 0.00 WT5 H ATOM 53794 OH2 TIP3 8690 1.908 -3.525 7.490 1.00 0.00 WT5 O ATOM 53795 H1 TIP3 8690 -18.290 4.237 4.662 1.00 0.00 WT5 H ATOM 53796 H2 TIP3 8690 4.036 -19.567 15.375 1.00 0.00 WT5 H ATOM 53797 OH2 TIP3 8691 4.626 -5.801 -1.151 1.00 0.00 WT5 O ATOM 53798 H1 TIP3 8691 -3.523 -4.046 -6.223 1.00 0.00 WT5 H ATOM 53799 H2 TIP3 8691 18.104 1.847 9.925 1.00 0.00 WT5 H ATOM 53800 OH2 TIP3 8695 0.106 2.230 5.556 1.00 0.00 WT5 O ATOM 53801 H1 TIP3 8695 -7.733 9.528 3.645 1.00 0.00 WT5 H ATOM 53802 H2 TIP3 8695 -0.439 -3.612 3.027 1.00 0.00 WT5 H ATOM 53803 OH2 TIP3 8699 -1.705 -0.577 5.119 1.00 0.00 WT5 O ATOM 53804 H1 TIP3 8699 -6.140 7.177 19.123 1.00 0.00 WT5 H ATOM 53805 H2 TIP3 8699 14.384 -10.299 -9.985 1.00 0.00 WT5 H ATOM 53806 OH2 TIP3 8701 1.075 -2.065 3.104 1.00 0.00 WT5 O ATOM 53807 H1 TIP3 8701 -2.619 -6.919 12.923 1.00 0.00 WT5 H ATOM 53808 H2 TIP3 8701 -1.163 7.619 6.810 1.00 0.00 WT5 H ATOM 53809 OH2 TIP3 8711 1.989 -0.916 6.557 1.00 0.00 WT5 O ATOM 53810 H1 TIP3 8711 -6.319 1.326 -5.274 1.00 0.00 WT5 H ATOM 53811 H2 TIP3 8711 -6.454 7.440 -5.697 1.00 0.00 WT5 H ATOM 53812 OH2 TIP3 8713 -1.268 -2.987 1.307 1.00 0.00 WT5 O ATOM 53813 H1 TIP3 8713 32.688 -11.566 -29.206 1.00 0.00 WT5 H ATOM 53814 H2 TIP3 8713 4.066 -0.139 -0.486 1.00 0.00 WT5 H ATOM 53815 OH2 TIP3 8721 4.710 2.192 5.044 1.00 0.00 WT5 O ATOM 53816 H1 TIP3 8721 1.867 9.830 6.448 1.00 0.00 WT5 H ATOM 53817 H2 TIP3 8721 10.133 -1.994 -7.410 1.00 0.00 WT5 H ATOM 53818 OH2 TIP3 8722 6.109 -2.890 1.204 1.00 0.00 WT5 O ATOM 53819 H1 TIP3 8722 13.890 -17.204 6.030 1.00 0.00 WT5 H ATOM 53820 H2 TIP3 8722 -5.870 -4.095 -13.873 1.00 0.00 WT5 H ATOM 53821 OH2 TIP3 8723 0.037 -1.604 1.122 1.00 0.00 WT5 O ATOM 53822 H1 TIP3 8723 -4.366 -20.013 -3.943 1.00 0.00 WT5 H ATOM 53823 H2 TIP3 8723 23.384 29.324 6.137 1.00 0.00 WT5 H ATOM 53824 OH2 TIP3 8732 0.816 -1.916 3.035 1.00 0.00 WT5 O ATOM 53825 H1 TIP3 8732 7.516 3.481 6.742 1.00 0.00 WT5 H ATOM 53826 H2 TIP3 8732 -9.686 13.817 -5.303 1.00 0.00 WT5 H ATOM 53827 OH2 TIP3 8748 -2.059 1.998 -4.164 1.00 0.00 WT5 O ATOM 53828 H1 TIP3 8748 1.854 -4.833 6.387 1.00 0.00 WT5 H ATOM 53829 H2 TIP3 8748 -9.734 7.873 6.361 1.00 0.00 WT5 H ATOM 53830 OH2 TIP3 8774 1.050 -5.263 2.511 1.00 0.00 WT5 O ATOM 53831 H1 TIP3 8774 -4.202 -1.930 25.151 1.00 0.00 WT5 H ATOM 53832 H2 TIP3 8774 -19.686 -15.284 12.979 1.00 0.00 WT5 H ATOM 53833 OH2 TIP3 8780 -0.212 5.841 -0.984 1.00 0.00 WT5 O ATOM 53834 H1 TIP3 8780 -5.146 -27.428 3.552 1.00 0.00 WT5 H ATOM 53835 H2 TIP3 8780 -3.399 13.240 -7.347 1.00 0.00 WT5 H ATOM 53836 OH2 TIP3 8791 -2.521 2.581 8.098 1.00 0.00 WT5 O ATOM 53837 H1 TIP3 8791 17.547 13.459 -6.253 1.00 0.00 WT5 H ATOM 53838 H2 TIP3 8791 -26.323 -1.372 -3.155 1.00 0.00 WT5 H ATOM 53839 OH2 TIP3 8800 4.059 -0.316 -5.521 1.00 0.00 WT5 O ATOM 53840 H1 TIP3 8800 6.967 -8.439 1.990 1.00 0.00 WT5 H ATOM 53841 H2 TIP3 8800 -5.863 17.764 -16.402 1.00 0.00 WT5 H ATOM 53842 OH2 TIP3 8809 4.074 -2.674 6.243 1.00 0.00 WT5 O ATOM 53843 H1 TIP3 8809 6.017 -7.739 4.588 1.00 0.00 WT5 H ATOM 53844 H2 TIP3 8809 7.361 -6.417 3.041 1.00 0.00 WT5 H ATOM 53845 OH2 TIP3 8813 -7.412 -1.385 -0.827 1.00 0.00 WT5 O ATOM 53846 H1 TIP3 8813 12.986 5.046 -4.116 1.00 0.00 WT5 H ATOM 53847 H2 TIP3 8813 21.376 9.210 0.306 1.00 0.00 WT5 H ATOM 53848 OH2 TIP3 8822 1.154 2.824 4.639 1.00 0.00 WT5 O ATOM 53849 H1 TIP3 8822 8.304 5.352 2.730 1.00 0.00 WT5 H ATOM 53850 H2 TIP3 8822 -12.777 -4.200 10.180 1.00 0.00 WT5 H ATOM 53851 OH2 TIP3 8824 -0.086 6.139 2.334 1.00 0.00 WT5 O ATOM 53852 H1 TIP3 8824 4.162 8.436 18.368 1.00 0.00 WT5 H ATOM 53853 H2 TIP3 8824 13.135 -7.604 -5.024 1.00 0.00 WT5 H ATOM 53854 OH2 TIP3 8829 -2.778 -0.228 1.482 1.00 0.00 WT5 O ATOM 53855 H1 TIP3 8829 -17.698 4.558 -26.488 1.00 0.00 WT5 H ATOM 53856 H2 TIP3 8829 -28.337 11.203 0.439 1.00 0.00 WT5 H ATOM 53857 OH2 TIP3 8833 8.894 -0.561 -1.649 1.00 0.00 WT5 O ATOM 53858 H1 TIP3 8833 13.854 -12.431 -14.542 1.00 0.00 WT5 H ATOM 53859 H2 TIP3 8833 -10.980 -1.235 -14.913 1.00 0.00 WT5 H ATOM 53860 OH2 TIP3 8841 -0.295 1.264 -7.619 1.00 0.00 WT5 O ATOM 53861 H1 TIP3 8841 7.775 17.889 -1.979 1.00 0.00 WT5 H ATOM 53862 H2 TIP3 8841 5.790 -13.995 -10.858 1.00 0.00 WT5 H ATOM 53863 OH2 TIP3 8845 -1.062 -5.271 -1.859 1.00 0.00 WT5 O ATOM 53864 H1 TIP3 8845 4.633 2.025 1.766 1.00 0.00 WT5 H ATOM 53865 H2 TIP3 8845 3.776 -9.814 -7.031 1.00 0.00 WT5 H ATOM 53866 OH2 TIP3 8851 -5.051 4.002 2.589 1.00 0.00 WT5 O ATOM 53867 H1 TIP3 8851 -7.452 -3.654 10.510 1.00 0.00 WT5 H ATOM 53868 H2 TIP3 8851 -5.726 -3.845 -6.813 1.00 0.00 WT5 H ATOM 53869 OH2 TIP3 8855 0.727 -1.692 -1.470 1.00 0.00 WT5 O ATOM 53870 H1 TIP3 8855 -3.171 1.710 3.043 1.00 0.00 WT5 H ATOM 53871 H2 TIP3 8855 7.235 -8.172 2.581 1.00 0.00 WT5 H ATOM 53872 OH2 TIP3 8860 -1.210 -0.935 -3.444 1.00 0.00 WT5 O ATOM 53873 H1 TIP3 8860 -7.991 -24.800 -14.549 1.00 0.00 WT5 H ATOM 53874 H2 TIP3 8860 14.660 -10.660 16.956 1.00 0.00 WT5 H ATOM 53875 OH2 TIP3 8864 2.355 -0.367 1.011 1.00 0.00 WT5 O ATOM 53876 H1 TIP3 8864 -1.268 -6.917 -6.135 1.00 0.00 WT5 H ATOM 53877 H2 TIP3 8864 -5.587 -1.200 11.224 1.00 0.00 WT5 H ATOM 53878 OH2 TIP3 8870 4.168 -2.665 -4.664 1.00 0.00 WT5 O ATOM 53879 H1 TIP3 8870 -17.649 8.709 2.974 1.00 0.00 WT5 H ATOM 53880 H2 TIP3 8870 6.041 13.721 -4.398 1.00 0.00 WT5 H ATOM 53881 OH2 TIP3 8872 -0.632 1.010 7.134 1.00 0.00 WT5 O ATOM 53882 H1 TIP3 8872 6.573 11.607 12.583 1.00 0.00 WT5 H ATOM 53883 H2 TIP3 8872 0.540 0.072 7.544 1.00 0.00 WT5 H ATOM 53884 OH2 TIP3 8876 -2.256 0.775 8.090 1.00 0.00 WT5 O ATOM 53885 H1 TIP3 8876 -20.130 5.106 11.860 1.00 0.00 WT5 H ATOM 53886 H2 TIP3 8876 -0.724 -14.144 8.133 1.00 0.00 WT5 H ATOM 53887 OH2 TIP3 8877 2.416 6.394 4.628 1.00 0.00 WT5 O ATOM 53888 H1 TIP3 8877 -4.576 -6.323 11.572 1.00 0.00 WT5 H ATOM 53889 H2 TIP3 8877 -6.355 21.664 10.640 1.00 0.00 WT5 H ATOM 53890 OH2 TIP3 8879 2.439 -2.275 9.464 1.00 0.00 WT5 O ATOM 53891 H1 TIP3 8879 -16.522 23.082 8.805 1.00 0.00 WT5 H ATOM 53892 H2 TIP3 8879 17.023 -7.638 -7.570 1.00 0.00 WT5 H ATOM 53893 OH2 TIP3 8890 -1.155 5.517 -4.191 1.00 0.00 WT5 O ATOM 53894 H1 TIP3 8890 14.438 -5.556 1.659 1.00 0.00 WT5 H ATOM 53895 H2 TIP3 8890 -10.874 5.403 -2.841 1.00 0.00 WT5 H ATOM 53896 OH2 TIP3 8892 3.059 0.238 -1.014 1.00 0.00 WT5 O ATOM 53897 H1 TIP3 8892 8.534 -6.895 -0.391 1.00 0.00 WT5 H ATOM 53898 H2 TIP3 8892 1.578 -1.696 17.440 1.00 0.00 WT5 H ATOM 53899 OH2 TIP3 8893 0.490 3.162 1.109 1.00 0.00 WT5 O ATOM 53900 H1 TIP3 8893 0.052 7.354 5.122 1.00 0.00 WT5 H ATOM 53901 H2 TIP3 8893 8.728 18.325 -10.830 1.00 0.00 WT5 H ATOM 53902 OH2 TIP3 8894 2.461 1.198 1.238 1.00 0.00 WT5 O ATOM 53903 H1 TIP3 8894 2.827 16.841 0.194 1.00 0.00 WT5 H ATOM 53904 H2 TIP3 8894 3.374 -8.710 4.685 1.00 0.00 WT5 H ATOM 53905 OH2 TIP3 8904 0.247 -2.286 -0.715 1.00 0.00 WT5 O ATOM 53906 H1 TIP3 8904 -3.382 -8.516 -1.169 1.00 0.00 WT5 H ATOM 53907 H2 TIP3 8904 5.018 5.431 4.646 1.00 0.00 WT5 H ATOM 53908 OH2 TIP3 8920 0.389 4.404 4.282 1.00 0.00 WT5 O ATOM 53909 H1 TIP3 8920 -12.029 -4.727 11.728 1.00 0.00 WT5 H ATOM 53910 H2 TIP3 8920 21.753 19.721 -0.436 1.00 0.00 WT5 H ATOM 53911 OH2 TIP3 8927 1.507 3.245 0.221 1.00 0.00 WT5 O ATOM 53912 H1 TIP3 8927 15.134 -5.746 16.012 1.00 0.00 WT5 H ATOM 53913 H2 TIP3 8927 11.055 -1.932 5.121 1.00 0.00 WT5 H ATOM 53914 OH2 TIP3 8935 8.196 -3.495 -3.096 1.00 0.00 WT5 O ATOM 53915 H1 TIP3 8935 -4.643 -2.075 -21.603 1.00 0.00 WT5 H ATOM 53916 H2 TIP3 8935 2.343 -10.111 6.758 1.00 0.00 WT5 H ATOM 53917 OH2 TIP3 8937 -5.013 -0.020 0.606 1.00 0.00 WT5 O ATOM 53918 H1 TIP3 8937 -2.888 -0.520 11.584 1.00 0.00 WT5 H ATOM 53919 H2 TIP3 8937 -6.628 -10.698 -5.545 1.00 0.00 WT5 H ATOM 53920 OH2 TIP3 8938 6.373 2.718 5.686 1.00 0.00 WT5 O ATOM 53921 H1 TIP3 8938 8.603 -6.402 -14.568 1.00 0.00 WT5 H ATOM 53922 H2 TIP3 8938 4.037 2.582 -7.537 1.00 0.00 WT5 H ATOM 53923 OH2 TIP3 8939 -0.628 2.123 -1.510 1.00 0.00 WT5 O ATOM 53924 H1 TIP3 8939 2.112 -11.645 -2.067 1.00 0.00 WT5 H ATOM 53925 H2 TIP3 8939 -10.351 6.111 -5.277 1.00 0.00 WT5 H ATOM 53926 OH2 TIP3 8942 -7.192 3.518 2.038 1.00 0.00 WT5 O ATOM 53927 H1 TIP3 8942 -4.284 -7.839 -6.110 1.00 0.00 WT5 H ATOM 53928 H2 TIP3 8942 1.906 19.574 -4.882 1.00 0.00 WT5 H ATOM 53929 OH2 TIP3 8956 5.015 1.111 -0.688 1.00 0.00 WT5 O ATOM 53930 H1 TIP3 8956 9.033 2.826 -0.343 1.00 0.00 WT5 H ATOM 53931 H2 TIP3 8956 1.517 2.920 -0.263 1.00 0.00 WT5 H ATOM 53932 OH2 TIP3 8960 -4.554 5.721 3.822 1.00 0.00 WT5 O ATOM 53933 H1 TIP3 8960 5.215 2.165 0.236 1.00 0.00 WT5 H ATOM 53934 H2 TIP3 8960 -8.749 -2.031 10.869 1.00 0.00 WT5 H ATOM 53935 OH2 TIP3 8964 -1.475 6.197 -3.975 1.00 0.00 WT5 O ATOM 53936 H1 TIP3 8964 0.004 -4.989 1.535 1.00 0.00 WT5 H ATOM 53937 H2 TIP3 8964 -1.562 17.279 -11.259 1.00 0.00 WT5 H ATOM 53938 OH2 TIP3 8972 -4.220 3.451 2.575 1.00 0.00 WT5 O ATOM 53939 H1 TIP3 8972 15.811 17.214 13.685 1.00 0.00 WT5 H ATOM 53940 H2 TIP3 8972 -13.992 -8.718 -14.881 1.00 0.00 WT5 H ATOM 53941 OH2 TIP3 8973 -1.782 -2.422 -6.592 1.00 0.00 WT5 O ATOM 53942 H1 TIP3 8973 -1.236 -5.291 -11.682 1.00 0.00 WT5 H ATOM 53943 H2 TIP3 8973 -6.232 0.045 5.247 1.00 0.00 WT5 H ATOM 53944 OH2 TIP3 8977 3.846 2.711 -4.194 1.00 0.00 WT5 O ATOM 53945 H1 TIP3 8977 21.491 7.715 12.616 1.00 0.00 WT5 H ATOM 53946 H2 TIP3 8977 -3.317 -36.887 -21.113 1.00 0.00 WT5 H ATOM 53947 OH2 TIP3 8982 1.432 -1.789 2.753 1.00 0.00 WT5 O ATOM 53948 H1 TIP3 8982 8.995 -28.248 4.331 1.00 0.00 WT5 H ATOM 53949 H2 TIP3 8982 2.780 -10.056 5.579 1.00 0.00 WT5 H ATOM 53950 OH2 TIP3 8984 -1.574 -8.332 2.773 1.00 0.00 WT5 O ATOM 53951 H1 TIP3 8984 8.320 -15.813 25.434 1.00 0.00 WT5 H ATOM 53952 H2 TIP3 8984 20.417 -11.172 -10.143 1.00 0.00 WT5 H ATOM 53953 OH2 TIP3 8988 -3.100 -0.294 3.705 1.00 0.00 WT5 O ATOM 53954 H1 TIP3 8988 -7.501 -3.682 15.073 1.00 0.00 WT5 H ATOM 53955 H2 TIP3 8988 -2.776 -7.949 14.072 1.00 0.00 WT5 H ATOM 53956 OH2 TIP3 9005 3.836 0.851 -10.841 1.00 0.00 WT5 O ATOM 53957 H1 TIP3 9005 -19.261 -33.596 -23.728 1.00 0.00 WT5 H ATOM 53958 H2 TIP3 9005 -4.572 -0.907 24.620 1.00 0.00 WT5 H ATOM 53959 OH2 TIP3 9012 8.300 -5.654 0.494 1.00 0.00 WT5 O ATOM 53960 H1 TIP3 9012 6.026 19.335 -7.198 1.00 0.00 WT5 H ATOM 53961 H2 TIP3 9012 9.403 0.503 10.959 1.00 0.00 WT5 H ATOM 53962 OH2 TIP3 9017 1.147 -3.673 -0.804 1.00 0.00 WT5 O ATOM 53963 H1 TIP3 9017 -10.486 3.853 5.767 1.00 0.00 WT5 H ATOM 53964 H2 TIP3 9017 -2.025 -24.157 -15.306 1.00 0.00 WT5 H ATOM 53965 OH2 TIP3 9022 -2.051 -8.513 0.029 1.00 0.00 WT5 O ATOM 53966 H1 TIP3 9022 10.420 -14.310 10.774 1.00 0.00 WT5 H ATOM 53967 H2 TIP3 9022 5.995 4.263 -12.433 1.00 0.00 WT5 H ATOM 53968 OH2 TIP3 9029 2.805 -0.139 2.567 1.00 0.00 WT5 O ATOM 53969 H1 TIP3 9029 4.776 -6.954 1.836 1.00 0.00 WT5 H ATOM 53970 H2 TIP3 9029 10.346 8.650 -5.498 1.00 0.00 WT5 H ATOM 53971 OH2 TIP3 9035 -1.149 -1.976 -2.169 1.00 0.00 WT5 O ATOM 53972 H1 TIP3 9035 6.248 -18.914 -11.802 1.00 0.00 WT5 H ATOM 53973 H2 TIP3 9035 -4.022 -0.423 19.653 1.00 0.00 WT5 H ATOM 53974 OH2 TIP3 9047 3.435 -3.634 4.397 1.00 0.00 WT5 O ATOM 53975 H1 TIP3 9047 -23.018 6.325 -27.630 1.00 0.00 WT5 H ATOM 53976 H2 TIP3 9047 -1.151 -9.531 -0.401 1.00 0.00 WT5 H ATOM 53977 OH2 TIP3 9049 0.506 2.749 1.087 1.00 0.00 WT5 O ATOM 53978 H1 TIP3 9049 -19.598 14.631 -1.500 1.00 0.00 WT5 H ATOM 53979 H2 TIP3 9049 -5.283 13.065 0.483 1.00 0.00 WT5 H ATOM 53980 OH2 TIP3 9055 -0.171 -1.402 2.137 1.00 0.00 WT5 O ATOM 53981 H1 TIP3 9055 -7.395 -13.069 19.851 1.00 0.00 WT5 H ATOM 53982 H2 TIP3 9055 -0.871 -8.074 9.228 1.00 0.00 WT5 H ATOM 53983 OH2 TIP3 9063 -4.769 4.940 3.973 1.00 0.00 WT5 O ATOM 53984 H1 TIP3 9063 7.962 25.902 3.048 1.00 0.00 WT5 H ATOM 53985 H2 TIP3 9063 -7.441 -4.356 2.008 1.00 0.00 WT5 H ATOM 53986 OH2 TIP3 9064 -4.074 10.167 6.417 1.00 0.00 WT5 O ATOM 53987 H1 TIP3 9064 -9.083 -2.892 -4.436 1.00 0.00 WT5 H ATOM 53988 H2 TIP3 9064 -2.110 -7.046 11.522 1.00 0.00 WT5 H ATOM 53989 OH2 TIP3 9065 0.245 3.001 1.651 1.00 0.00 WT5 O ATOM 53990 H1 TIP3 9065 1.454 6.429 0.653 1.00 0.00 WT5 H ATOM 53991 H2 TIP3 9065 -3.360 -1.138 -2.034 1.00 0.00 WT5 H ATOM 53992 OH2 TIP3 9068 0.085 -7.410 -8.616 1.00 0.00 WT5 O ATOM 53993 H1 TIP3 9068 3.558 12.276 -14.270 1.00 0.00 WT5 H ATOM 53994 H2 TIP3 9068 0.650 -7.077 10.110 1.00 0.00 WT5 H ATOM 53995 OH2 TIP3 9073 -3.631 4.903 -3.821 1.00 0.00 WT5 O ATOM 53996 H1 TIP3 9073 -1.837 9.962 29.073 1.00 0.00 WT5 H ATOM 53997 H2 TIP3 9073 -27.237 19.687 -22.532 1.00 0.00 WT5 H ATOM 53998 OH2 TIP3 9077 -4.818 2.558 -7.580 1.00 0.00 WT5 O ATOM 53999 H1 TIP3 9077 -8.078 -25.588 -0.067 1.00 0.00 WT5 H ATOM 54000 H2 TIP3 9077 30.664 -6.725 -9.206 1.00 0.00 WT5 H ATOM 54001 OH2 TIP3 9085 1.906 4.217 -3.990 1.00 0.00 WT5 O ATOM 54002 H1 TIP3 9085 14.042 13.733 -7.130 1.00 0.00 WT5 H ATOM 54003 H2 TIP3 9085 11.685 7.194 -17.219 1.00 0.00 WT5 H ATOM 54004 OH2 TIP3 9091 -1.552 -5.153 3.492 1.00 0.00 WT5 O ATOM 54005 H1 TIP3 9091 -1.606 -5.478 3.534 1.00 0.00 WT5 H ATOM 54006 H2 TIP3 9091 4.076 -4.894 14.263 1.00 0.00 WT5 H ATOM 54007 OH2 TIP3 9096 -2.301 -8.042 -0.914 1.00 0.00 WT5 O ATOM 54008 H1 TIP3 9096 4.580 -5.665 -18.186 1.00 0.00 WT5 H ATOM 54009 H2 TIP3 9096 -7.176 4.364 7.801 1.00 0.00 WT5 H ATOM 54010 OH2 TIP3 9097 2.465 -0.614 5.976 1.00 0.00 WT5 O ATOM 54011 H1 TIP3 9097 -0.990 -2.583 -9.585 1.00 0.00 WT5 H ATOM 54012 H2 TIP3 9097 -9.104 18.430 -4.310 1.00 0.00 WT5 H ATOM 54013 OH2 TIP3 9102 1.995 4.725 -5.624 1.00 0.00 WT5 O ATOM 54014 H1 TIP3 9102 4.097 -2.568 0.161 1.00 0.00 WT5 H ATOM 54015 H2 TIP3 9102 -12.745 13.713 -16.663 1.00 0.00 WT5 H ATOM 54016 OH2 TIP3 9116 -1.584 -1.724 0.736 1.00 0.00 WT5 O ATOM 54017 H1 TIP3 9116 -25.039 -2.891 -16.453 1.00 0.00 WT5 H ATOM 54018 H2 TIP3 9116 -1.570 -2.500 -16.357 1.00 0.00 WT5 H ATOM 54019 OH2 TIP3 9118 -10.205 3.614 -2.469 1.00 0.00 WT5 O ATOM 54020 H1 TIP3 9118 19.976 -13.825 3.769 1.00 0.00 WT5 H ATOM 54021 H2 TIP3 9118 -6.454 -0.223 9.186 1.00 0.00 WT5 H ATOM 54022 OH2 TIP3 9124 -8.788 -0.305 5.647 1.00 0.00 WT5 O ATOM 54023 H1 TIP3 9124 -7.625 10.357 -1.044 1.00 0.00 WT5 H ATOM 54024 H2 TIP3 9124 -9.250 5.389 5.117 1.00 0.00 WT5 H ATOM 54025 OH2 TIP3 9125 9.204 -0.275 -2.041 1.00 0.00 WT5 O ATOM 54026 H1 TIP3 9125 -1.874 7.353 -2.410 1.00 0.00 WT5 H ATOM 54027 H2 TIP3 9125 -4.744 -3.002 -2.188 1.00 0.00 WT5 H ATOM 54028 OH2 TIP3 9133 2.239 -1.317 0.949 1.00 0.00 WT5 O ATOM 54029 H1 TIP3 9133 -2.724 -0.181 -2.482 1.00 0.00 WT5 H ATOM 54030 H2 TIP3 9133 -2.938 7.900 6.930 1.00 0.00 WT5 H ATOM 54031 OH2 TIP3 9143 -6.292 -5.836 -6.121 1.00 0.00 WT5 O ATOM 54032 H1 TIP3 9143 -16.759 6.029 4.900 1.00 0.00 WT5 H ATOM 54033 H2 TIP3 9143 7.046 4.054 -12.403 1.00 0.00 WT5 H ATOM 54034 OH2 TIP3 9144 -1.056 -1.842 3.976 1.00 0.00 WT5 O ATOM 54035 H1 TIP3 9144 4.916 3.106 6.923 1.00 0.00 WT5 H ATOM 54036 H2 TIP3 9144 1.212 -2.653 -3.925 1.00 0.00 WT5 H ATOM 54037 OH2 TIP3 9157 -5.265 -2.341 0.405 1.00 0.00 WT5 O ATOM 54038 H1 TIP3 9157 8.918 -12.302 -5.784 1.00 0.00 WT5 H ATOM 54039 H2 TIP3 9157 9.124 -12.741 -6.530 1.00 0.00 WT5 H ATOM 54040 OH2 TIP3 9158 4.156 -0.529 -1.482 1.00 0.00 WT5 O ATOM 54041 H1 TIP3 9158 -11.130 -5.170 4.150 1.00 0.00 WT5 H ATOM 54042 H2 TIP3 9158 -2.614 3.836 -2.153 1.00 0.00 WT5 H ATOM 54043 OH2 TIP3 9162 0.775 9.905 -4.853 1.00 0.00 WT5 O ATOM 54044 H1 TIP3 9162 -25.828 5.228 2.273 1.00 0.00 WT5 H ATOM 54045 H2 TIP3 9162 3.190 1.107 -10.106 1.00 0.00 WT5 H ATOM 54046 OH2 TIP3 9171 1.893 5.198 1.262 1.00 0.00 WT5 O ATOM 54047 H1 TIP3 9171 -15.259 13.235 0.826 1.00 0.00 WT5 H ATOM 54048 H2 TIP3 9171 15.222 -7.446 1.030 1.00 0.00 WT5 H ATOM 54049 OH2 TIP3 9178 0.552 0.757 -2.531 1.00 0.00 WT5 O ATOM 54050 H1 TIP3 9178 12.454 0.225 -7.696 1.00 0.00 WT5 H ATOM 54051 H2 TIP3 9178 1.776 3.387 -8.955 1.00 0.00 WT5 H ATOM 54052 OH2 TIP3 9179 7.897 3.171 0.949 1.00 0.00 WT5 O ATOM 54053 H1 TIP3 9179 14.803 -1.266 -5.098 1.00 0.00 WT5 H ATOM 54054 H2 TIP3 9179 16.058 7.290 14.358 1.00 0.00 WT5 H ATOM 54055 OH2 TIP3 9182 1.629 -2.102 -2.603 1.00 0.00 WT5 O ATOM 54056 H1 TIP3 9182 -7.878 2.772 -2.739 1.00 0.00 WT5 H ATOM 54057 H2 TIP3 9182 10.543 -3.167 3.791 1.00 0.00 WT5 H ATOM 54058 OH2 TIP3 9183 -7.793 5.764 1.761 1.00 0.00 WT5 O ATOM 54059 H1 TIP3 9183 -1.451 -2.590 23.841 1.00 0.00 WT5 H ATOM 54060 H2 TIP3 9183 -5.266 -1.454 21.749 1.00 0.00 WT5 H ATOM 54061 OH2 TIP3 9184 -0.228 2.598 2.532 1.00 0.00 WT5 O ATOM 54062 H1 TIP3 9184 -1.969 -9.505 -3.201 1.00 0.00 WT5 H ATOM 54063 H2 TIP3 9184 -1.316 -2.467 0.082 1.00 0.00 WT5 H ATOM 54064 OH2 TIP3 9188 -3.092 -0.554 1.007 1.00 0.00 WT5 O ATOM 54065 H1 TIP3 9188 0.217 -7.341 4.294 1.00 0.00 WT5 H ATOM 54066 H2 TIP3 9188 9.989 -6.495 19.399 1.00 0.00 WT5 H ATOM 54067 OH2 TIP3 9198 0.641 5.170 7.205 1.00 0.00 WT5 O ATOM 54068 H1 TIP3 9198 10.567 9.259 -6.133 1.00 0.00 WT5 H ATOM 54069 H2 TIP3 9198 -3.749 -9.993 18.727 1.00 0.00 WT5 H ATOM 54070 OH2 TIP3 9211 6.915 -0.727 3.841 1.00 0.00 WT5 O ATOM 54071 H1 TIP3 9211 0.605 7.707 1.720 1.00 0.00 WT5 H ATOM 54072 H2 TIP3 9211 12.304 -1.593 6.547 1.00 0.00 WT5 H ATOM 54073 OH2 TIP3 9218 -1.576 -5.458 -3.335 1.00 0.00 WT5 O ATOM 54074 H1 TIP3 9218 2.726 -13.181 4.555 1.00 0.00 WT5 H ATOM 54075 H2 TIP3 9218 13.878 2.058 -15.531 1.00 0.00 WT5 H ATOM 54076 OH2 TIP3 9223 -0.344 3.873 6.413 1.00 0.00 WT5 O ATOM 54077 H1 TIP3 9223 -15.809 7.235 -2.747 1.00 0.00 WT5 H ATOM 54078 H2 TIP3 9223 14.477 13.925 -1.912 1.00 0.00 WT5 H ATOM 54079 OH2 TIP3 9227 -4.766 2.515 -4.020 1.00 0.00 WT5 O ATOM 54080 H1 TIP3 9227 8.459 6.321 5.403 1.00 0.00 WT5 H ATOM 54081 H2 TIP3 9227 -20.790 13.493 6.223 1.00 0.00 WT5 H ATOM 54082 OH2 TIP3 9250 -10.403 0.761 6.909 1.00 0.00 WT5 O ATOM 54083 H1 TIP3 9250 -3.059 5.930 7.244 1.00 0.00 WT5 H ATOM 54084 H2 TIP3 9250 -8.819 -0.372 -1.284 1.00 0.00 WT5 H ATOM 54085 OH2 TIP3 9254 -3.378 -1.874 -1.584 1.00 0.00 WT5 O ATOM 54086 H1 TIP3 9254 -13.277 -16.797 4.184 1.00 0.00 WT5 H ATOM 54087 H2 TIP3 9254 7.624 3.301 14.011 1.00 0.00 WT5 H ATOM 54088 OH2 TIP3 2 0.821 -2.758 -0.596 1.00 0.00 WT6 O ATOM 54089 H1 TIP3 2 6.768 23.726 -8.341 1.00 0.00 WT6 H ATOM 54090 H2 TIP3 2 -25.024 -3.090 9.760 1.00 0.00 WT6 H ATOM 54091 OH2 TIP3 5 2.585 0.630 1.580 1.00 0.00 WT6 O ATOM 54092 H1 TIP3 5 -7.271 16.690 -0.534 1.00 0.00 WT6 H ATOM 54093 H2 TIP3 5 6.560 -3.547 8.778 1.00 0.00 WT6 H ATOM 54094 OH2 TIP3 40 -0.029 4.911 0.964 1.00 0.00 WT6 O ATOM 54095 H1 TIP3 40 7.182 -5.768 -6.445 1.00 0.00 WT6 H ATOM 54096 H2 TIP3 40 -4.788 15.211 3.416 1.00 0.00 WT6 H ATOM 54097 OH2 TIP3 44 1.321 -0.328 -2.970 1.00 0.00 WT6 O ATOM 54098 H1 TIP3 44 8.769 6.424 4.788 1.00 0.00 WT6 H ATOM 54099 H2 TIP3 44 0.493 1.149 -17.572 1.00 0.00 WT6 H ATOM 54100 OH2 TIP3 48 5.786 5.914 0.541 1.00 0.00 WT6 O ATOM 54101 H1 TIP3 48 17.098 7.257 -21.017 1.00 0.00 WT6 H ATOM 54102 H2 TIP3 48 1.919 15.719 -3.259 1.00 0.00 WT6 H ATOM 54103 OH2 TIP3 65 0.381 7.179 5.467 1.00 0.00 WT6 O ATOM 54104 H1 TIP3 65 -6.358 1.822 8.731 1.00 0.00 WT6 H ATOM 54105 H2 TIP3 65 23.537 -0.969 -6.098 1.00 0.00 WT6 H ATOM 54106 OH2 TIP3 67 -1.992 -1.159 -7.218 1.00 0.00 WT6 O ATOM 54107 H1 TIP3 67 -3.810 5.735 5.879 1.00 0.00 WT6 H ATOM 54108 H2 TIP3 67 0.965 0.160 -0.722 1.00 0.00 WT6 H ATOM 54109 OH2 TIP3 87 0.958 2.086 4.751 1.00 0.00 WT6 O ATOM 54110 H1 TIP3 87 6.196 19.712 -0.316 1.00 0.00 WT6 H ATOM 54111 H2 TIP3 87 0.605 2.311 3.489 1.00 0.00 WT6 H ATOM 54112 OH2 TIP3 113 -6.243 -6.782 4.558 1.00 0.00 WT6 O ATOM 54113 H1 TIP3 113 23.305 5.406 -6.559 1.00 0.00 WT6 H ATOM 54114 H2 TIP3 113 -6.508 3.422 10.779 1.00 0.00 WT6 H ATOM 54115 OH2 TIP3 149 4.114 1.993 3.550 1.00 0.00 WT6 O ATOM 54116 H1 TIP3 149 5.349 4.534 19.157 1.00 0.00 WT6 H ATOM 54117 H2 TIP3 149 9.918 -2.832 10.930 1.00 0.00 WT6 H ATOM 54118 OH2 TIP3 150 -2.445 -1.607 2.130 1.00 0.00 WT6 O ATOM 54119 H1 TIP3 150 6.993 4.051 -13.971 1.00 0.00 WT6 H ATOM 54120 H2 TIP3 150 7.019 25.165 5.096 1.00 0.00 WT6 H ATOM 54121 OH2 TIP3 167 -7.405 3.503 4.718 1.00 0.00 WT6 O ATOM 54122 H1 TIP3 167 -8.232 -19.969 -14.352 1.00 0.00 WT6 H ATOM 54123 H2 TIP3 167 -39.247 8.000 -13.070 1.00 0.00 WT6 H ATOM 54124 OH2 TIP3 174 -0.708 8.074 5.310 1.00 0.00 WT6 O ATOM 54125 H1 TIP3 174 -3.813 7.112 -1.840 1.00 0.00 WT6 H ATOM 54126 H2 TIP3 174 3.134 -0.083 14.483 1.00 0.00 WT6 H ATOM 54127 OH2 TIP3 175 0.320 -1.771 1.638 1.00 0.00 WT6 O ATOM 54128 H1 TIP3 175 -17.013 11.024 15.238 1.00 0.00 WT6 H ATOM 54129 H2 TIP3 175 -3.866 -0.362 7.359 1.00 0.00 WT6 H ATOM 54130 OH2 TIP3 178 -1.378 -2.505 0.243 1.00 0.00 WT6 O ATOM 54131 H1 TIP3 178 -38.046 13.520 -8.343 1.00 0.00 WT6 H ATOM 54132 H2 TIP3 178 17.641 -15.107 19.634 1.00 0.00 WT6 H ATOM 54133 OH2 TIP3 189 5.750 -2.301 2.592 1.00 0.00 WT6 O ATOM 54134 H1 TIP3 189 -0.348 -6.299 0.461 1.00 0.00 WT6 H ATOM 54135 H2 TIP3 189 -8.791 16.255 -3.315 1.00 0.00 WT6 H ATOM 54136 OH2 TIP3 191 6.766 -1.537 10.578 1.00 0.00 WT6 O ATOM 54137 H1 TIP3 191 12.263 -6.077 12.081 1.00 0.00 WT6 H ATOM 54138 H2 TIP3 191 4.541 -1.758 9.404 1.00 0.00 WT6 H ATOM 54139 OH2 TIP3 194 2.400 -3.666 2.541 1.00 0.00 WT6 O ATOM 54140 H1 TIP3 194 -1.747 -11.823 5.568 1.00 0.00 WT6 H ATOM 54141 H2 TIP3 194 9.462 -3.745 12.004 1.00 0.00 WT6 H ATOM 54142 OH2 TIP3 195 -1.962 -1.374 -1.350 1.00 0.00 WT6 O ATOM 54143 H1 TIP3 195 6.413 -6.627 4.753 1.00 0.00 WT6 H ATOM 54144 H2 TIP3 195 -18.671 8.669 13.816 1.00 0.00 WT6 H ATOM 54145 OH2 TIP3 196 3.529 -1.129 -2.189 1.00 0.00 WT6 O ATOM 54146 H1 TIP3 196 2.564 -5.921 1.475 1.00 0.00 WT6 H ATOM 54147 H2 TIP3 196 9.430 -24.154 11.281 1.00 0.00 WT6 H ATOM 54148 OH2 TIP3 237 1.747 1.632 -4.808 1.00 0.00 WT6 O ATOM 54149 H1 TIP3 237 -1.031 10.150 -10.768 1.00 0.00 WT6 H ATOM 54150 H2 TIP3 237 3.677 -4.439 -3.541 1.00 0.00 WT6 H ATOM 54151 OH2 TIP3 303 -1.992 -1.433 0.951 1.00 0.00 WT6 O ATOM 54152 H1 TIP3 303 26.713 6.493 -0.980 1.00 0.00 WT6 H ATOM 54153 H2 TIP3 303 -16.734 12.423 3.720 1.00 0.00 WT6 H ATOM 54154 OH2 TIP3 338 3.489 3.237 1.982 1.00 0.00 WT6 O ATOM 54155 H1 TIP3 338 -26.849 -9.010 -7.013 1.00 0.00 WT6 H ATOM 54156 H2 TIP3 338 25.019 -21.215 -5.815 1.00 0.00 WT6 H ATOM 54157 OH2 TIP3 344 0.448 -2.564 -1.473 1.00 0.00 WT6 O ATOM 54158 H1 TIP3 344 -5.008 5.181 -35.906 1.00 0.00 WT6 H ATOM 54159 H2 TIP3 344 12.022 4.477 -2.797 1.00 0.00 WT6 H ATOM 54160 OH2 TIP3 384 -0.361 -1.007 2.461 1.00 0.00 WT6 O ATOM 54161 H1 TIP3 384 -20.965 -9.961 11.572 1.00 0.00 WT6 H ATOM 54162 H2 TIP3 384 3.205 -8.333 15.951 1.00 0.00 WT6 H ATOM 54163 OH2 TIP3 401 3.248 2.941 -2.409 1.00 0.00 WT6 O ATOM 54164 H1 TIP3 401 -0.574 8.798 6.191 1.00 0.00 WT6 H ATOM 54165 H2 TIP3 401 0.986 -2.383 -8.311 1.00 0.00 WT6 H ATOM 54166 OH2 TIP3 416 -1.166 -11.021 2.286 1.00 0.00 WT6 O ATOM 54167 H1 TIP3 416 -7.093 -23.502 1.374 1.00 0.00 WT6 H ATOM 54168 H2 TIP3 416 -8.993 -2.896 13.729 1.00 0.00 WT6 H ATOM 54169 OH2 TIP3 425 1.182 2.717 5.354 1.00 0.00 WT6 O ATOM 54170 H1 TIP3 425 -13.977 3.190 -2.282 1.00 0.00 WT6 H ATOM 54171 H2 TIP3 425 -12.230 5.282 5.554 1.00 0.00 WT6 H ATOM 54172 OH2 TIP3 460 6.799 8.100 -1.922 1.00 0.00 WT6 O ATOM 54173 H1 TIP3 460 -1.672 -13.933 2.285 1.00 0.00 WT6 H ATOM 54174 H2 TIP3 460 17.311 3.402 -5.093 1.00 0.00 WT6 H ATOM 54175 OH2 TIP3 470 8.002 -5.542 0.924 1.00 0.00 WT6 O ATOM 54176 H1 TIP3 470 10.431 -2.035 1.992 1.00 0.00 WT6 H ATOM 54177 H2 TIP3 470 0.939 -17.724 1.548 1.00 0.00 WT6 H ATOM 54178 OH2 TIP3 472 1.785 1.918 -4.138 1.00 0.00 WT6 O ATOM 54179 H1 TIP3 472 1.654 1.936 -8.833 1.00 0.00 WT6 H ATOM 54180 H2 TIP3 472 -1.471 -1.557 -4.633 1.00 0.00 WT6 H ATOM 54181 OH2 TIP3 485 -9.415 -3.489 -5.688 1.00 0.00 WT6 O ATOM 54182 H1 TIP3 485 -3.093 11.399 10.091 1.00 0.00 WT6 H ATOM 54183 H2 TIP3 485 -23.243 -18.445 -16.996 1.00 0.00 WT6 H ATOM 54184 OH2 TIP3 486 -0.471 -3.724 -7.139 1.00 0.00 WT6 O ATOM 54185 H1 TIP3 486 -0.874 -2.126 -3.072 1.00 0.00 WT6 H ATOM 54186 H2 TIP3 486 8.138 -2.343 -0.299 1.00 0.00 WT6 H ATOM 54187 OH2 TIP3 489 6.497 -0.092 -1.466 1.00 0.00 WT6 O ATOM 54188 H1 TIP3 489 4.128 1.794 -9.115 1.00 0.00 WT6 H ATOM 54189 H2 TIP3 489 -1.174 -9.374 -7.316 1.00 0.00 WT6 H ATOM 54190 OH2 TIP3 503 -1.524 -0.607 5.791 1.00 0.00 WT6 O ATOM 54191 H1 TIP3 503 7.780 -14.483 -13.853 1.00 0.00 WT6 H ATOM 54192 H2 TIP3 503 -1.858 -3.011 10.142 1.00 0.00 WT6 H ATOM 54193 OH2 TIP3 506 -5.317 4.329 3.988 1.00 0.00 WT6 O ATOM 54194 H1 TIP3 506 -5.528 18.102 1.283 1.00 0.00 WT6 H ATOM 54195 H2 TIP3 506 -7.687 9.528 1.136 1.00 0.00 WT6 H ATOM 54196 OH2 TIP3 509 3.267 -11.846 0.812 1.00 0.00 WT6 O ATOM 54197 H1 TIP3 509 8.693 -7.316 10.540 1.00 0.00 WT6 H ATOM 54198 H2 TIP3 509 14.684 -11.276 -10.001 1.00 0.00 WT6 H ATOM 54199 OH2 TIP3 511 6.119 2.898 2.402 1.00 0.00 WT6 O ATOM 54200 H1 TIP3 511 10.165 1.508 -10.185 1.00 0.00 WT6 H ATOM 54201 H2 TIP3 511 -21.639 -11.665 9.962 1.00 0.00 WT6 H ATOM 54202 OH2 TIP3 548 2.831 -5.537 -1.722 1.00 0.00 WT6 O ATOM 54203 H1 TIP3 548 9.239 9.924 -11.217 1.00 0.00 WT6 H ATOM 54204 H2 TIP3 548 -3.986 -15.807 3.211 1.00 0.00 WT6 H ATOM 54205 OH2 TIP3 550 0.369 -2.753 -1.701 1.00 0.00 WT6 O ATOM 54206 H1 TIP3 550 -6.521 -4.537 -0.285 1.00 0.00 WT6 H ATOM 54207 H2 TIP3 550 -12.583 -15.888 -7.578 1.00 0.00 WT6 H ATOM 54208 OH2 TIP3 551 0.205 3.095 4.755 1.00 0.00 WT6 O ATOM 54209 H1 TIP3 551 14.065 -3.075 -2.777 1.00 0.00 WT6 H ATOM 54210 H2 TIP3 551 5.251 1.791 -3.554 1.00 0.00 WT6 H ATOM 54211 OH2 TIP3 562 -1.621 -4.588 0.624 1.00 0.00 WT6 O ATOM 54212 H1 TIP3 562 12.027 20.105 23.651 1.00 0.00 WT6 H ATOM 54213 H2 TIP3 562 -0.087 0.254 5.785 1.00 0.00 WT6 H ATOM 54214 OH2 TIP3 570 -7.332 -2.491 -1.514 1.00 0.00 WT6 O ATOM 54215 H1 TIP3 570 2.277 -2.379 -0.149 1.00 0.00 WT6 H ATOM 54216 H2 TIP3 570 -17.533 -1.491 -4.263 1.00 0.00 WT6 H ATOM 54217 OH2 TIP3 573 1.220 -3.460 -0.124 1.00 0.00 WT6 O ATOM 54218 H1 TIP3 573 -10.664 23.419 2.633 1.00 0.00 WT6 H ATOM 54219 H2 TIP3 573 0.719 -6.080 6.735 1.00 0.00 WT6 H ATOM 54220 OH2 TIP3 575 1.130 0.343 1.236 1.00 0.00 WT6 O ATOM 54221 H1 TIP3 575 13.280 -17.287 -0.300 1.00 0.00 WT6 H ATOM 54222 H2 TIP3 575 7.413 -3.517 26.460 1.00 0.00 WT6 H ATOM 54223 OH2 TIP3 584 1.276 -2.427 -1.384 1.00 0.00 WT6 O ATOM 54224 H1 TIP3 584 0.646 8.439 24.529 1.00 0.00 WT6 H ATOM 54225 H2 TIP3 584 -3.678 12.616 -25.712 1.00 0.00 WT6 H ATOM 54226 OH2 TIP3 591 -0.104 1.064 -1.225 1.00 0.00 WT6 O ATOM 54227 H1 TIP3 591 -12.619 15.379 6.452 1.00 0.00 WT6 H ATOM 54228 H2 TIP3 591 8.038 -16.326 16.093 1.00 0.00 WT6 H ATOM 54229 OH2 TIP3 593 -1.140 -0.094 -0.505 1.00 0.00 WT6 O ATOM 54230 H1 TIP3 593 12.868 8.632 1.392 1.00 0.00 WT6 H ATOM 54231 H2 TIP3 593 -4.021 -1.137 -8.064 1.00 0.00 WT6 H ATOM 54232 OH2 TIP3 594 0.267 2.466 4.647 1.00 0.00 WT6 O ATOM 54233 H1 TIP3 594 -3.248 2.821 15.891 1.00 0.00 WT6 H ATOM 54234 H2 TIP3 594 4.445 2.970 -3.784 1.00 0.00 WT6 H ATOM 54235 OH2 TIP3 616 -2.269 2.355 1.015 1.00 0.00 WT6 O ATOM 54236 H1 TIP3 616 -9.544 11.037 -1.282 1.00 0.00 WT6 H ATOM 54237 H2 TIP3 616 3.822 5.744 -14.469 1.00 0.00 WT6 H ATOM 54238 OH2 TIP3 638 -6.896 4.193 -1.167 1.00 0.00 WT6 O ATOM 54239 H1 TIP3 638 13.026 -6.750 8.009 1.00 0.00 WT6 H ATOM 54240 H2 TIP3 638 -1.930 -0.472 -14.560 1.00 0.00 WT6 H ATOM 54241 OH2 TIP3 677 -0.483 -1.401 -0.691 1.00 0.00 WT6 O ATOM 54242 H1 TIP3 677 -4.293 18.612 -15.322 1.00 0.00 WT6 H ATOM 54243 H2 TIP3 677 -5.886 -8.186 2.975 1.00 0.00 WT6 H ATOM 54244 OH2 TIP3 715 -1.868 6.539 -1.726 1.00 0.00 WT6 O ATOM 54245 H1 TIP3 715 6.413 0.625 -1.468 1.00 0.00 WT6 H ATOM 54246 H2 TIP3 715 -12.334 6.363 -7.012 1.00 0.00 WT6 H ATOM 54247 OH2 TIP3 717 3.206 -8.982 3.388 1.00 0.00 WT6 O ATOM 54248 H1 TIP3 717 11.002 -10.849 -9.069 1.00 0.00 WT6 H ATOM 54249 H2 TIP3 717 4.487 -2.867 14.737 1.00 0.00 WT6 H ATOM 54250 OH2 TIP3 721 4.385 -4.587 4.686 1.00 0.00 WT6 O ATOM 54251 H1 TIP3 721 8.005 -6.522 10.133 1.00 0.00 WT6 H ATOM 54252 H2 TIP3 721 9.918 -6.534 1.077 1.00 0.00 WT6 H ATOM 54253 OH2 TIP3 738 -5.034 -0.250 4.796 1.00 0.00 WT6 O ATOM 54254 H1 TIP3 738 20.489 -9.687 -6.815 1.00 0.00 WT6 H ATOM 54255 H2 TIP3 738 15.324 -0.321 -3.419 1.00 0.00 WT6 H ATOM 54256 OH2 TIP3 746 -2.897 2.539 7.882 1.00 0.00 WT6 O ATOM 54257 H1 TIP3 746 -15.917 -17.381 -0.332 1.00 0.00 WT6 H ATOM 54258 H2 TIP3 746 -11.562 -10.932 2.294 1.00 0.00 WT6 H ATOM 54259 OH2 TIP3 766 -4.867 4.708 -4.992 1.00 0.00 WT6 O ATOM 54260 H1 TIP3 766 12.479 11.731 -0.658 1.00 0.00 WT6 H ATOM 54261 H2 TIP3 766 -12.569 1.663 -5.773 1.00 0.00 WT6 H ATOM 54262 OH2 TIP3 778 3.796 -1.441 -0.485 1.00 0.00 WT6 O ATOM 54263 H1 TIP3 778 1.766 6.313 4.111 1.00 0.00 WT6 H ATOM 54264 H2 TIP3 778 14.968 5.699 -5.059 1.00 0.00 WT6 H ATOM 54265 OH2 TIP3 779 -2.625 -0.010 1.402 1.00 0.00 WT6 O ATOM 54266 H1 TIP3 779 -5.115 -17.113 -21.137 1.00 0.00 WT6 H ATOM 54267 H2 TIP3 779 19.975 0.835 -8.367 1.00 0.00 WT6 H ATOM 54268 OH2 TIP3 807 1.385 -6.385 0.792 1.00 0.00 WT6 O ATOM 54269 H1 TIP3 807 -1.215 -6.087 0.916 1.00 0.00 WT6 H ATOM 54270 H2 TIP3 807 -2.801 -4.318 10.694 1.00 0.00 WT6 H ATOM 54271 OH2 TIP3 822 -4.644 2.965 -3.017 1.00 0.00 WT6 O ATOM 54272 H1 TIP3 822 -1.029 -1.748 -10.165 1.00 0.00 WT6 H ATOM 54273 H2 TIP3 822 13.299 -1.359 -18.717 1.00 0.00 WT6 H ATOM 54274 OH2 TIP3 824 -2.023 -6.741 -2.803 1.00 0.00 WT6 O ATOM 54275 H1 TIP3 824 -5.657 -19.326 3.080 1.00 0.00 WT6 H ATOM 54276 H2 TIP3 824 -0.676 -21.359 -0.285 1.00 0.00 WT6 H ATOM 54277 OH2 TIP3 843 -2.547 -4.088 -10.201 1.00 0.00 WT6 O ATOM 54278 H1 TIP3 843 -13.718 1.746 6.337 1.00 0.00 WT6 H ATOM 54279 H2 TIP3 843 -20.795 7.913 -27.808 1.00 0.00 WT6 H ATOM 54280 OH2 TIP3 846 2.317 -2.631 -2.299 1.00 0.00 WT6 O ATOM 54281 H1 TIP3 846 -4.037 -4.225 5.613 1.00 0.00 WT6 H ATOM 54282 H2 TIP3 846 -0.289 4.575 -9.803 1.00 0.00 WT6 H ATOM 54283 OH2 TIP3 892 -0.847 -5.774 2.666 1.00 0.00 WT6 O ATOM 54284 H1 TIP3 892 -0.792 14.249 -19.587 1.00 0.00 WT6 H ATOM 54285 H2 TIP3 892 -21.641 2.190 -0.477 1.00 0.00 WT6 H ATOM 54286 OH2 TIP3 908 -0.356 1.365 0.644 1.00 0.00 WT6 O ATOM 54287 H1 TIP3 908 8.824 10.156 29.895 1.00 0.00 WT6 H ATOM 54288 H2 TIP3 908 17.763 -11.356 21.523 1.00 0.00 WT6 H ATOM 54289 OH2 TIP3 928 2.770 -4.127 2.092 1.00 0.00 WT6 O ATOM 54290 H1 TIP3 928 6.272 7.127 -19.087 1.00 0.00 WT6 H ATOM 54291 H2 TIP3 928 -3.344 -20.167 -8.466 1.00 0.00 WT6 H ATOM 54292 OH2 TIP3 930 -0.864 1.096 -0.920 1.00 0.00 WT6 O ATOM 54293 H1 TIP3 930 -3.857 2.434 -3.411 1.00 0.00 WT6 H ATOM 54294 H2 TIP3 930 -0.433 -5.025 8.196 1.00 0.00 WT6 H ATOM 54295 OH2 TIP3 969 -10.757 -2.995 -3.975 1.00 0.00 WT6 O ATOM 54296 H1 TIP3 969 -0.039 1.225 16.384 1.00 0.00 WT6 H ATOM 54297 H2 TIP3 969 -4.132 27.995 0.613 1.00 0.00 WT6 H ATOM 54298 OH2 TIP3 987 -1.525 8.888 3.878 1.00 0.00 WT6 O ATOM 54299 H1 TIP3 987 3.987 6.840 5.592 1.00 0.00 WT6 H ATOM 54300 H2 TIP3 987 -2.355 4.845 6.754 1.00 0.00 WT6 H ATOM 54301 OH2 TIP3 1013 -2.212 6.203 -0.631 1.00 0.00 WT6 O ATOM 54302 H1 TIP3 1013 9.149 7.061 -11.436 1.00 0.00 WT6 H ATOM 54303 H2 TIP3 1013 -15.393 4.103 11.055 1.00 0.00 WT6 H ATOM 54304 OH2 TIP3 1018 1.377 1.652 3.734 1.00 0.00 WT6 O ATOM 54305 H1 TIP3 1018 12.242 -1.630 -4.560 1.00 0.00 WT6 H ATOM 54306 H2 TIP3 1018 25.846 4.579 -16.513 1.00 0.00 WT6 H ATOM 54307 OH2 TIP3 1076 3.245 6.530 -0.744 1.00 0.00 WT6 O ATOM 54308 H1 TIP3 1076 -7.658 5.167 -0.487 1.00 0.00 WT6 H ATOM 54309 H2 TIP3 1076 23.300 29.909 19.182 1.00 0.00 WT6 H ATOM 54310 OH2 TIP3 1077 4.292 -6.826 7.210 1.00 0.00 WT6 O ATOM 54311 H1 TIP3 1077 4.969 11.170 16.306 1.00 0.00 WT6 H ATOM 54312 H2 TIP3 1077 -15.790 -13.984 -7.399 1.00 0.00 WT6 H ATOM 54313 OH2 TIP3 1098 -0.108 -3.317 1.050 1.00 0.00 WT6 O ATOM 54314 H1 TIP3 1098 -9.630 -3.121 -1.633 1.00 0.00 WT6 H ATOM 54315 H2 TIP3 1098 2.830 -2.499 7.703 1.00 0.00 WT6 H ATOM 54316 OH2 TIP3 1122 3.462 -5.429 4.218 1.00 0.00 WT6 O ATOM 54317 H1 TIP3 1122 -8.793 -4.608 -17.417 1.00 0.00 WT6 H ATOM 54318 H2 TIP3 1122 -4.006 -4.461 -12.730 1.00 0.00 WT6 H ATOM 54319 OH2 TIP3 1138 3.570 -1.523 -6.031 1.00 0.00 WT6 O ATOM 54320 H1 TIP3 1138 2.402 -2.894 -4.882 1.00 0.00 WT6 H ATOM 54321 H2 TIP3 1138 -15.307 -32.980 15.510 1.00 0.00 WT6 H ATOM 54322 OH2 TIP3 1163 0.165 0.415 2.108 1.00 0.00 WT6 O ATOM 54323 H1 TIP3 1163 -16.579 -20.344 5.466 1.00 0.00 WT6 H ATOM 54324 H2 TIP3 1163 -3.528 -0.594 -4.945 1.00 0.00 WT6 H ATOM 54325 OH2 TIP3 1240 0.083 4.723 -5.822 1.00 0.00 WT6 O ATOM 54326 H1 TIP3 1240 -3.113 -2.076 6.337 1.00 0.00 WT6 H ATOM 54327 H2 TIP3 1240 2.573 -22.671 26.456 1.00 0.00 WT6 H ATOM 54328 OH2 TIP3 1258 -1.551 -2.073 -4.071 1.00 0.00 WT6 O ATOM 54329 H1 TIP3 1258 -15.441 17.076 12.062 1.00 0.00 WT6 H ATOM 54330 H2 TIP3 1258 -1.453 11.400 -3.469 1.00 0.00 WT6 H ATOM 54331 OH2 TIP3 1281 0.628 0.649 -2.309 1.00 0.00 WT6 O ATOM 54332 H1 TIP3 1281 -11.423 8.752 -15.155 1.00 0.00 WT6 H ATOM 54333 H2 TIP3 1281 0.372 11.072 11.861 1.00 0.00 WT6 H ATOM 54334 OH2 TIP3 1285 2.366 -3.120 -0.531 1.00 0.00 WT6 O ATOM 54335 H1 TIP3 1285 0.005 -7.026 -16.161 1.00 0.00 WT6 H ATOM 54336 H2 TIP3 1285 -5.150 -14.629 7.333 1.00 0.00 WT6 H ATOM 54337 OH2 TIP3 1301 1.924 6.292 -1.679 1.00 0.00 WT6 O ATOM 54338 H1 TIP3 1301 16.939 18.886 -9.214 1.00 0.00 WT6 H ATOM 54339 H2 TIP3 1301 -10.438 12.609 0.933 1.00 0.00 WT6 H ATOM 54340 OH2 TIP3 1303 2.852 -0.768 -0.689 1.00 0.00 WT6 O ATOM 54341 H1 TIP3 1303 3.110 5.817 -3.284 1.00 0.00 WT6 H ATOM 54342 H2 TIP3 1303 -4.417 0.310 -6.366 1.00 0.00 WT6 H ATOM 54343 OH2 TIP3 1345 -0.068 9.016 -0.118 1.00 0.00 WT6 O ATOM 54344 H1 TIP3 1345 -3.699 5.660 1.046 1.00 0.00 WT6 H ATOM 54345 H2 TIP3 1345 -5.728 18.496 -15.920 1.00 0.00 WT6 H ATOM 54346 OH2 TIP3 1354 -3.685 -1.242 1.093 1.00 0.00 WT6 O ATOM 54347 H1 TIP3 1354 6.104 5.099 6.701 1.00 0.00 WT6 H ATOM 54348 H2 TIP3 1354 25.112 12.390 20.099 1.00 0.00 WT6 H ATOM 54349 OH2 TIP3 1370 1.614 2.556 2.647 1.00 0.00 WT6 O ATOM 54350 H1 TIP3 1370 -7.179 -3.404 -9.474 1.00 0.00 WT6 H ATOM 54351 H2 TIP3 1370 6.703 -8.901 -3.840 1.00 0.00 WT6 H ATOM 54352 OH2 TIP3 1373 1.435 3.421 -5.412 1.00 0.00 WT6 O ATOM 54353 H1 TIP3 1373 2.649 4.427 -2.260 1.00 0.00 WT6 H ATOM 54354 H2 TIP3 1373 -1.292 -2.171 -0.258 1.00 0.00 WT6 H ATOM 54355 OH2 TIP3 1387 -2.455 8.808 -2.725 1.00 0.00 WT6 O ATOM 54356 H1 TIP3 1387 18.418 -16.138 -21.268 1.00 0.00 WT6 H ATOM 54357 H2 TIP3 1387 -13.430 -26.067 19.462 1.00 0.00 WT6 H ATOM 54358 OH2 TIP3 1408 5.366 -1.500 3.967 1.00 0.00 WT6 O ATOM 54359 H1 TIP3 1408 -6.757 7.025 -6.637 1.00 0.00 WT6 H ATOM 54360 H2 TIP3 1408 -1.600 -5.130 -4.637 1.00 0.00 WT6 H ATOM 54361 OH2 TIP3 1414 -2.887 0.092 4.044 1.00 0.00 WT6 O ATOM 54362 H1 TIP3 1414 4.852 -0.042 -15.158 1.00 0.00 WT6 H ATOM 54363 H2 TIP3 1414 -2.594 14.209 10.364 1.00 0.00 WT6 H ATOM 54364 OH2 TIP3 1429 -1.954 0.120 -0.778 1.00 0.00 WT6 O ATOM 54365 H1 TIP3 1429 0.402 9.112 4.102 1.00 0.00 WT6 H ATOM 54366 H2 TIP3 1429 -1.609 -1.032 8.961 1.00 0.00 WT6 H ATOM 54367 OH2 TIP3 1433 -0.496 -1.872 0.211 1.00 0.00 WT6 O ATOM 54368 H1 TIP3 1433 10.048 4.857 7.802 1.00 0.00 WT6 H ATOM 54369 H2 TIP3 1433 6.474 2.002 24.899 1.00 0.00 WT6 H ATOM 54370 OH2 TIP3 1440 -2.555 -1.766 4.236 1.00 0.00 WT6 O ATOM 54371 H1 TIP3 1440 -5.309 -5.192 4.474 1.00 0.00 WT6 H ATOM 54372 H2 TIP3 1440 7.010 3.328 10.482 1.00 0.00 WT6 H ATOM 54373 OH2 TIP3 1451 -4.382 7.322 8.787 1.00 0.00 WT6 O ATOM 54374 H1 TIP3 1451 -1.017 -13.511 -11.173 1.00 0.00 WT6 H ATOM 54375 H2 TIP3 1451 -23.497 2.574 25.897 1.00 0.00 WT6 H ATOM 54376 OH2 TIP3 1466 1.093 2.350 5.497 1.00 0.00 WT6 O ATOM 54377 H1 TIP3 1466 -10.012 -5.165 -7.611 1.00 0.00 WT6 H ATOM 54378 H2 TIP3 1466 16.979 -19.359 -6.762 1.00 0.00 WT6 H ATOM 54379 OH2 TIP3 1477 3.025 5.483 2.450 1.00 0.00 WT6 O ATOM 54380 H1 TIP3 1477 -1.153 23.965 4.308 1.00 0.00 WT6 H ATOM 54381 H2 TIP3 1477 -3.722 8.273 -15.091 1.00 0.00 WT6 H ATOM 54382 OH2 TIP3 1480 3.088 0.923 3.749 1.00 0.00 WT6 O ATOM 54383 H1 TIP3 1480 -1.758 -4.240 -2.480 1.00 0.00 WT6 H ATOM 54384 H2 TIP3 1480 9.629 0.424 4.172 1.00 0.00 WT6 H ATOM 54385 OH2 TIP3 1492 8.754 1.958 1.598 1.00 0.00 WT6 O ATOM 54386 H1 TIP3 1492 7.072 -6.626 0.826 1.00 0.00 WT6 H ATOM 54387 H2 TIP3 1492 17.268 7.549 2.060 1.00 0.00 WT6 H ATOM 54388 OH2 TIP3 1573 -0.806 2.395 1.157 1.00 0.00 WT6 O ATOM 54389 H1 TIP3 1573 0.367 10.790 -4.777 1.00 0.00 WT6 H ATOM 54390 H2 TIP3 1573 -11.074 0.669 2.282 1.00 0.00 WT6 H ATOM 54391 OH2 TIP3 1599 4.196 6.549 2.436 1.00 0.00 WT6 O ATOM 54392 H1 TIP3 1599 8.565 5.693 0.456 1.00 0.00 WT6 H ATOM 54393 H2 TIP3 1599 -18.483 13.268 2.905 1.00 0.00 WT6 H ATOM 54394 OH2 TIP3 1618 -6.688 5.634 1.902 1.00 0.00 WT6 O ATOM 54395 H1 TIP3 1618 -32.736 -39.732 4.561 1.00 0.00 WT6 H ATOM 54396 H2 TIP3 1618 -8.723 10.589 -3.878 1.00 0.00 WT6 H ATOM 54397 OH2 TIP3 1624 4.642 4.518 -4.100 1.00 0.00 WT6 O ATOM 54398 H1 TIP3 1624 14.667 -6.454 4.414 1.00 0.00 WT6 H ATOM 54399 H2 TIP3 1624 -9.949 20.106 -19.548 1.00 0.00 WT6 H ATOM 54400 OH2 TIP3 1625 3.393 -0.298 -0.372 1.00 0.00 WT6 O ATOM 54401 H1 TIP3 1625 4.656 0.841 0.994 1.00 0.00 WT6 H ATOM 54402 H2 TIP3 1625 3.219 1.609 2.367 1.00 0.00 WT6 H ATOM 54403 OH2 TIP3 1648 11.077 -1.200 1.579 1.00 0.00 WT6 O ATOM 54404 H1 TIP3 1648 9.217 5.718 0.275 1.00 0.00 WT6 H ATOM 54405 H2 TIP3 1648 -23.909 5.888 -9.280 1.00 0.00 WT6 H ATOM 54406 OH2 TIP3 1656 -2.529 -4.388 5.712 1.00 0.00 WT6 O ATOM 54407 H1 TIP3 1656 15.664 13.598 -19.038 1.00 0.00 WT6 H ATOM 54408 H2 TIP3 1656 11.247 8.009 -10.927 1.00 0.00 WT6 H ATOM 54409 OH2 TIP3 1664 1.207 5.637 7.501 1.00 0.00 WT6 O ATOM 54410 H1 TIP3 1664 -8.283 4.119 20.438 1.00 0.00 WT6 H ATOM 54411 H2 TIP3 1664 16.503 14.891 -10.440 1.00 0.00 WT6 H ATOM 54412 OH2 TIP3 1691 7.296 -6.521 -2.000 1.00 0.00 WT6 O ATOM 54413 H1 TIP3 1691 -10.728 -19.653 -1.149 1.00 0.00 WT6 H ATOM 54414 H2 TIP3 1691 20.652 4.072 -8.550 1.00 0.00 WT6 H ATOM 54415 OH2 TIP3 1706 -4.281 -0.279 -0.184 1.00 0.00 WT6 O ATOM 54416 H1 TIP3 1706 -2.729 0.295 -3.734 1.00 0.00 WT6 H ATOM 54417 H2 TIP3 1706 -14.432 1.502 4.751 1.00 0.00 WT6 H ATOM 54418 OH2 TIP3 1725 -2.246 0.431 1.057 1.00 0.00 WT6 O ATOM 54419 H1 TIP3 1725 -17.932 -0.770 -0.338 1.00 0.00 WT6 H ATOM 54420 H2 TIP3 1725 -13.576 5.540 -20.833 1.00 0.00 WT6 H ATOM 54421 OH2 TIP3 1733 2.081 6.543 -2.951 1.00 0.00 WT6 O ATOM 54422 H1 TIP3 1733 -3.765 -0.736 12.757 1.00 0.00 WT6 H ATOM 54423 H2 TIP3 1733 -4.113 1.183 15.775 1.00 0.00 WT6 H ATOM 54424 OH2 TIP3 1751 -1.292 -2.468 0.552 1.00 0.00 WT6 O ATOM 54425 H1 TIP3 1751 5.864 -1.990 10.205 1.00 0.00 WT6 H ATOM 54426 H2 TIP3 1751 -34.660 23.421 -12.553 1.00 0.00 WT6 H ATOM 54427 OH2 TIP3 1769 -3.762 -3.302 4.816 1.00 0.00 WT6 O ATOM 54428 H1 TIP3 1769 -6.588 -4.938 -15.661 1.00 0.00 WT6 H ATOM 54429 H2 TIP3 1769 2.392 8.029 -7.883 1.00 0.00 WT6 H ATOM 54430 OH2 TIP3 1771 -1.647 4.852 3.983 1.00 0.00 WT6 O ATOM 54431 H1 TIP3 1771 2.455 10.059 -1.048 1.00 0.00 WT6 H ATOM 54432 H2 TIP3 1771 -10.854 10.224 37.273 1.00 0.00 WT6 H ATOM 54433 OH2 TIP3 1849 3.162 0.805 -5.215 1.00 0.00 WT6 O ATOM 54434 H1 TIP3 1849 5.450 -0.147 2.540 1.00 0.00 WT6 H ATOM 54435 H2 TIP3 1849 -7.422 4.011 -6.458 1.00 0.00 WT6 H ATOM 54436 OH2 TIP3 1853 3.714 1.145 -2.287 1.00 0.00 WT6 O ATOM 54437 H1 TIP3 1853 -8.917 11.962 -3.005 1.00 0.00 WT6 H ATOM 54438 H2 TIP3 1853 -12.517 -4.726 2.735 1.00 0.00 WT6 H ATOM 54439 OH2 TIP3 1892 1.715 -2.757 6.181 1.00 0.00 WT6 O ATOM 54440 H1 TIP3 1892 2.311 -1.358 6.374 1.00 0.00 WT6 H ATOM 54441 H2 TIP3 1892 7.706 -6.505 7.113 1.00 0.00 WT6 H ATOM 54442 OH2 TIP3 1897 -1.499 -5.750 2.588 1.00 0.00 WT6 O ATOM 54443 H1 TIP3 1897 2.023 -11.576 -5.959 1.00 0.00 WT6 H ATOM 54444 H2 TIP3 1897 -6.789 18.574 -16.632 1.00 0.00 WT6 H ATOM 54445 OH2 TIP3 1918 -1.267 0.173 0.250 1.00 0.00 WT6 O ATOM 54446 H1 TIP3 1918 5.333 -1.593 10.253 1.00 0.00 WT6 H ATOM 54447 H2 TIP3 1918 -5.760 11.771 -4.345 1.00 0.00 WT6 H ATOM 54448 OH2 TIP3 1978 -5.474 0.029 2.025 1.00 0.00 WT6 O ATOM 54449 H1 TIP3 1978 -1.978 6.211 2.524 1.00 0.00 WT6 H ATOM 54450 H2 TIP3 1978 -0.064 -4.187 6.297 1.00 0.00 WT6 H ATOM 54451 OH2 TIP3 2000 -4.264 4.395 3.032 1.00 0.00 WT6 O ATOM 54452 H1 TIP3 2000 -9.057 18.475 13.564 1.00 0.00 WT6 H ATOM 54453 H2 TIP3 2000 -10.826 33.738 -6.181 1.00 0.00 WT6 H ATOM 54454 OH2 TIP3 2022 3.656 1.366 -1.010 1.00 0.00 WT6 O ATOM 54455 H1 TIP3 2022 10.703 -12.091 0.293 1.00 0.00 WT6 H ATOM 54456 H2 TIP3 2022 5.505 -8.806 -14.263 1.00 0.00 WT6 H ATOM 54457 OH2 TIP3 2083 5.080 7.749 -2.657 1.00 0.00 WT6 O ATOM 54458 H1 TIP3 2083 12.542 -11.002 4.451 1.00 0.00 WT6 H ATOM 54459 H2 TIP3 2083 -6.786 11.927 -3.856 1.00 0.00 WT6 H ATOM 54460 OH2 TIP3 2085 -0.355 2.144 1.010 1.00 0.00 WT6 O ATOM 54461 H1 TIP3 2085 -5.415 0.588 7.272 1.00 0.00 WT6 H ATOM 54462 H2 TIP3 2085 -0.027 8.889 6.165 1.00 0.00 WT6 H ATOM 54463 OH2 TIP3 2108 -5.770 -6.490 2.326 1.00 0.00 WT6 O ATOM 54464 H1 TIP3 2108 -7.512 -5.309 3.700 1.00 0.00 WT6 H ATOM 54465 H2 TIP3 2108 -17.753 0.249 11.701 1.00 0.00 WT6 H ATOM 54466 OH2 TIP3 2150 -3.580 1.759 3.405 1.00 0.00 WT6 O ATOM 54467 H1 TIP3 2150 11.979 16.666 10.760 1.00 0.00 WT6 H ATOM 54468 H2 TIP3 2150 12.884 16.622 -21.664 1.00 0.00 WT6 H ATOM 54469 OH2 TIP3 2183 2.194 -2.810 1.740 1.00 0.00 WT6 O ATOM 54470 H1 TIP3 2183 3.105 -7.272 1.065 1.00 0.00 WT6 H ATOM 54471 H2 TIP3 2183 2.500 -3.134 4.729 1.00 0.00 WT6 H ATOM 54472 OH2 TIP3 2190 4.792 0.680 -2.575 1.00 0.00 WT6 O ATOM 54473 H1 TIP3 2190 -15.260 -3.880 -0.303 1.00 0.00 WT6 H ATOM 54474 H2 TIP3 2190 14.284 13.263 34.153 1.00 0.00 WT6 H ATOM 54475 OH2 TIP3 2231 1.521 -0.125 4.138 1.00 0.00 WT6 O ATOM 54476 H1 TIP3 2231 8.075 -2.805 3.573 1.00 0.00 WT6 H ATOM 54477 H2 TIP3 2231 -0.517 16.076 15.610 1.00 0.00 WT6 H ATOM 54478 OH2 TIP3 2270 1.633 -2.273 4.199 1.00 0.00 WT6 O ATOM 54479 H1 TIP3 2270 2.776 -5.108 -8.095 1.00 0.00 WT6 H ATOM 54480 H2 TIP3 2270 17.469 5.400 10.009 1.00 0.00 WT6 H ATOM 54481 OH2 TIP3 2288 -0.807 -3.195 1.797 1.00 0.00 WT6 O ATOM 54482 H1 TIP3 2288 1.331 -0.360 9.416 1.00 0.00 WT6 H ATOM 54483 H2 TIP3 2288 -2.323 -10.042 -7.882 1.00 0.00 WT6 H ATOM 54484 OH2 TIP3 2290 -0.545 -3.669 -0.976 1.00 0.00 WT6 O ATOM 54485 H1 TIP3 2290 11.688 1.859 -0.317 1.00 0.00 WT6 H ATOM 54486 H2 TIP3 2290 -7.618 2.539 -5.219 1.00 0.00 WT6 H ATOM 54487 OH2 TIP3 2293 3.853 2.358 1.436 1.00 0.00 WT6 O ATOM 54488 H1 TIP3 2293 4.365 0.688 1.546 1.00 0.00 WT6 H ATOM 54489 H2 TIP3 2293 -1.247 -0.121 -0.653 1.00 0.00 WT6 H ATOM 54490 OH2 TIP3 2317 -2.307 2.198 0.566 1.00 0.00 WT6 O ATOM 54491 H1 TIP3 2317 -1.494 1.439 0.925 1.00 0.00 WT6 H ATOM 54492 H2 TIP3 2317 -12.492 21.056 7.426 1.00 0.00 WT6 H ATOM 54493 OH2 TIP3 2357 -1.443 -3.364 3.822 1.00 0.00 WT6 O ATOM 54494 H1 TIP3 2357 4.604 -6.072 12.351 1.00 0.00 WT6 H ATOM 54495 H2 TIP3 2357 -5.620 3.228 -12.544 1.00 0.00 WT6 H ATOM 54496 OH2 TIP3 2358 2.463 0.073 -2.040 1.00 0.00 WT6 O ATOM 54497 H1 TIP3 2358 6.037 17.584 -20.235 1.00 0.00 WT6 H ATOM 54498 H2 TIP3 2358 11.695 4.945 -9.936 1.00 0.00 WT6 H ATOM 54499 OH2 TIP3 2500 3.926 -0.899 2.086 1.00 0.00 WT6 O ATOM 54500 H1 TIP3 2500 2.969 -21.220 16.650 1.00 0.00 WT6 H ATOM 54501 H2 TIP3 2500 9.955 1.713 4.524 1.00 0.00 WT6 H ATOM 54502 OH2 TIP3 2521 -4.669 4.337 -2.046 1.00 0.00 WT6 O ATOM 54503 H1 TIP3 2521 -7.970 8.765 3.842 1.00 0.00 WT6 H ATOM 54504 H2 TIP3 2521 16.751 1.206 -12.338 1.00 0.00 WT6 H ATOM 54505 OH2 TIP3 2524 -0.312 1.427 -3.844 1.00 0.00 WT6 O ATOM 54506 H1 TIP3 2524 0.493 0.046 0.070 1.00 0.00 WT6 H ATOM 54507 H2 TIP3 2524 -8.828 -8.636 16.736 1.00 0.00 WT6 H ATOM 54508 OH2 TIP3 2525 -2.936 -4.302 1.288 1.00 0.00 WT6 O ATOM 54509 H1 TIP3 2525 -16.791 10.281 8.941 1.00 0.00 WT6 H ATOM 54510 H2 TIP3 2525 -8.910 -5.862 12.501 1.00 0.00 WT6 H ATOM 54511 OH2 TIP3 2570 7.436 1.921 0.361 1.00 0.00 WT6 O ATOM 54512 H1 TIP3 2570 -7.970 18.994 2.473 1.00 0.00 WT6 H ATOM 54513 H2 TIP3 2570 13.833 3.336 14.255 1.00 0.00 WT6 H ATOM 54514 OH2 TIP3 2714 2.704 1.286 2.327 1.00 0.00 WT6 O ATOM 54515 H1 TIP3 2714 -25.675 9.725 15.594 1.00 0.00 WT6 H ATOM 54516 H2 TIP3 2714 9.346 -11.149 1.649 1.00 0.00 WT6 H ATOM 54517 OH2 TIP3 2781 0.880 0.293 11.198 1.00 0.00 WT6 O ATOM 54518 H1 TIP3 2781 -15.830 -3.211 2.328 1.00 0.00 WT6 H ATOM 54519 H2 TIP3 2781 5.014 1.790 12.589 1.00 0.00 WT6 H ATOM 54520 OH2 TIP3 2802 -4.932 1.706 2.559 1.00 0.00 WT6 O ATOM 54521 H1 TIP3 2802 -13.626 18.939 13.879 1.00 0.00 WT6 H ATOM 54522 H2 TIP3 2802 -12.894 18.165 12.767 1.00 0.00 WT6 H ATOM 54523 OH2 TIP3 3029 3.916 -1.926 5.905 1.00 0.00 WT6 O ATOM 54524 H1 TIP3 3029 7.284 2.587 2.504 1.00 0.00 WT6 H ATOM 54525 H2 TIP3 3029 -8.551 -20.584 18.727 1.00 0.00 WT6 H ATOM 54526 OH2 TIP3 5421 -1.848 -3.442 -3.674 1.00 0.00 WT6 O ATOM 54527 H1 TIP3 5421 -0.893 -22.861 35.306 1.00 0.00 WT6 H ATOM 54528 H2 TIP3 5421 -19.300 -6.020 22.724 1.00 0.00 WT6 H ATOM 54529 OH2 TIP3 6240 3.902 -1.021 2.667 1.00 0.00 WT6 O ATOM 54530 H1 TIP3 6240 -0.864 2.216 4.445 1.00 0.00 WT6 H ATOM 54531 H2 TIP3 6240 1.662 -6.043 3.431 1.00 0.00 WT6 H ATOM 54532 OH2 TIP3 6350 -2.379 -0.059 -3.954 1.00 0.00 WT6 O ATOM 54533 H1 TIP3 6350 2.899 1.369 -18.540 1.00 0.00 WT6 H ATOM 54534 H2 TIP3 6350 3.286 -0.729 -3.401 1.00 0.00 WT6 H ATOM 54535 OH2 TIP3 6671 6.438 -0.640 -5.372 1.00 0.00 WT6 O ATOM 54536 H1 TIP3 6671 -14.355 -31.000 -21.199 1.00 0.00 WT6 H ATOM 54537 H2 TIP3 6671 -0.678 -6.298 -2.880 1.00 0.00 WT6 H ATOM 54538 OH2 TIP3 6980 -0.462 -3.197 4.807 1.00 0.00 WT6 O ATOM 54539 H1 TIP3 6980 12.481 1.306 -8.202 1.00 0.00 WT6 H ATOM 54540 H2 TIP3 6980 -3.524 15.221 0.821 1.00 0.00 WT6 H ATOM 54541 OH2 TIP3 7563 0.847 2.466 1.195 1.00 0.00 WT6 O ATOM 54542 H1 TIP3 7563 12.477 -7.406 -9.784 1.00 0.00 WT6 H ATOM 54543 H2 TIP3 7563 12.715 -6.591 8.036 1.00 0.00 WT6 H ATOM 54544 OH2 TIP3 7583 0.765 0.472 -0.914 1.00 0.00 WT6 O ATOM 54545 H1 TIP3 7583 -7.144 -10.478 -6.996 1.00 0.00 WT6 H ATOM 54546 H2 TIP3 7583 -5.902 -3.597 -4.834 1.00 0.00 WT6 H ATOM 54547 OH2 TIP3 7603 3.051 -0.992 0.349 1.00 0.00 WT6 O ATOM 54548 H1 TIP3 7603 -0.318 -0.034 7.907 1.00 0.00 WT6 H ATOM 54549 H2 TIP3 7603 -3.263 3.838 13.640 1.00 0.00 WT6 H ATOM 54550 OH2 TIP3 7607 -0.247 0.578 -1.338 1.00 0.00 WT6 O ATOM 54551 H1 TIP3 7607 -1.638 5.362 -13.954 1.00 0.00 WT6 H ATOM 54552 H2 TIP3 7607 -0.774 3.345 -6.991 1.00 0.00 WT6 H ATOM 54553 OH2 TIP3 7630 2.927 1.601 -1.745 1.00 0.00 WT6 O ATOM 54554 H1 TIP3 7630 5.077 14.906 -4.230 1.00 0.00 WT6 H ATOM 54555 H2 TIP3 7630 18.744 23.272 0.733 1.00 0.00 WT6 H ATOM 54556 OH2 TIP3 7631 -2.993 -3.552 -0.445 1.00 0.00 WT6 O ATOM 54557 H1 TIP3 7631 0.214 7.453 1.441 1.00 0.00 WT6 H ATOM 54558 H2 TIP3 7631 -2.043 -9.731 1.114 1.00 0.00 WT6 H ATOM 54559 OH2 TIP3 7647 0.098 -2.313 -3.798 1.00 0.00 WT6 O ATOM 54560 H1 TIP3 7647 -9.312 1.738 -7.344 1.00 0.00 WT6 H ATOM 54561 H2 TIP3 7647 -0.867 13.091 -9.303 1.00 0.00 WT6 H ATOM 54562 OH2 TIP3 7650 -0.378 -5.973 -3.949 1.00 0.00 WT6 O ATOM 54563 H1 TIP3 7650 15.485 13.943 -14.527 1.00 0.00 WT6 H ATOM 54564 H2 TIP3 7650 -25.079 13.862 -6.164 1.00 0.00 WT6 H ATOM 54565 OH2 TIP3 7707 0.388 5.972 5.957 1.00 0.00 WT6 O ATOM 54566 H1 TIP3 7707 -11.737 7.334 11.222 1.00 0.00 WT6 H ATOM 54567 H2 TIP3 7707 4.603 19.175 1.802 1.00 0.00 WT6 H ATOM 54568 OH2 TIP3 7748 -5.237 4.230 -2.399 1.00 0.00 WT6 O ATOM 54569 H1 TIP3 7748 7.325 -5.495 7.876 1.00 0.00 WT6 H ATOM 54570 H2 TIP3 7748 -0.764 4.929 -6.857 1.00 0.00 WT6 H ATOM 54571 OH2 TIP3 7833 -3.409 2.328 4.939 1.00 0.00 WT6 O ATOM 54572 H1 TIP3 7833 5.090 27.789 13.584 1.00 0.00 WT6 H ATOM 54573 H2 TIP3 7833 8.334 1.049 -6.696 1.00 0.00 WT6 H ATOM 54574 OH2 TIP3 7944 -3.722 -0.618 -2.300 1.00 0.00 WT6 O ATOM 54575 H1 TIP3 7944 -0.993 11.970 8.317 1.00 0.00 WT6 H ATOM 54576 H2 TIP3 7944 9.319 -5.510 -9.485 1.00 0.00 WT6 H ATOM 54577 OH2 TIP3 7959 9.258 -3.939 1.727 1.00 0.00 WT6 O ATOM 54578 H1 TIP3 7959 2.017 2.120 -7.229 1.00 0.00 WT6 H ATOM 54579 H2 TIP3 7959 -29.637 5.558 16.317 1.00 0.00 WT6 H ATOM 54580 OH2 TIP3 7979 -1.053 7.267 2.816 1.00 0.00 WT6 O ATOM 54581 H1 TIP3 7979 -33.796 7.216 -7.444 1.00 0.00 WT6 H ATOM 54582 H2 TIP3 7979 -5.360 -14.538 -16.327 1.00 0.00 WT6 H ATOM 54583 OH2 TIP3 7985 -6.401 1.763 -0.258 1.00 0.00 WT6 O ATOM 54584 H1 TIP3 7985 13.931 0.293 -14.190 1.00 0.00 WT6 H ATOM 54585 H2 TIP3 7985 -6.676 -13.279 5.214 1.00 0.00 WT6 H ATOM 54586 OH2 TIP3 8023 -1.373 0.788 0.171 1.00 0.00 WT6 O ATOM 54587 H1 TIP3 8023 -4.967 -4.241 4.589 1.00 0.00 WT6 H ATOM 54588 H2 TIP3 8023 9.185 13.584 -3.349 1.00 0.00 WT6 H ATOM 54589 OH2 TIP3 8024 2.981 -0.758 -1.207 1.00 0.00 WT6 O ATOM 54590 H1 TIP3 8024 4.394 1.901 -8.200 1.00 0.00 WT6 H ATOM 54591 H2 TIP3 8024 10.475 17.696 1.711 1.00 0.00 WT6 H ATOM 54592 OH2 TIP3 8046 -3.175 -2.861 0.465 1.00 0.00 WT6 O ATOM 54593 H1 TIP3 8046 4.392 -0.508 -3.219 1.00 0.00 WT6 H ATOM 54594 H2 TIP3 8046 -3.014 -2.574 9.023 1.00 0.00 WT6 H ATOM 54595 OH2 TIP3 8064 -5.768 8.632 0.455 1.00 0.00 WT6 O ATOM 54596 H1 TIP3 8064 -7.444 -1.848 8.095 1.00 0.00 WT6 H ATOM 54597 H2 TIP3 8064 4.027 11.274 -13.271 1.00 0.00 WT6 H ATOM 54598 OH2 TIP3 8067 1.596 -1.623 2.824 1.00 0.00 WT6 O ATOM 54599 H1 TIP3 8067 2.067 1.552 12.519 1.00 0.00 WT6 H ATOM 54600 H2 TIP3 8067 -4.487 11.330 6.763 1.00 0.00 WT6 H ATOM 54601 OH2 TIP3 8068 -0.516 -3.615 2.727 1.00 0.00 WT6 O ATOM 54602 H1 TIP3 8068 -8.891 2.895 -18.337 1.00 0.00 WT6 H ATOM 54603 H2 TIP3 8068 4.089 2.661 -4.547 1.00 0.00 WT6 H ATOM 54604 OH2 TIP3 8136 2.453 0.709 1.610 1.00 0.00 WT6 O ATOM 54605 H1 TIP3 8136 6.787 -3.644 13.803 1.00 0.00 WT6 H ATOM 54606 H2 TIP3 8136 8.523 -7.450 -15.814 1.00 0.00 WT6 H ATOM 54607 OH2 TIP3 8173 -2.389 1.122 2.529 1.00 0.00 WT6 O ATOM 54608 H1 TIP3 8173 -2.003 1.748 2.715 1.00 0.00 WT6 H ATOM 54609 H2 TIP3 8173 -2.505 5.565 3.113 1.00 0.00 WT6 H ATOM 54610 OH2 TIP3 8174 -6.980 -3.918 2.485 1.00 0.00 WT6 O ATOM 54611 H1 TIP3 8174 -6.846 -4.307 0.639 1.00 0.00 WT6 H ATOM 54612 H2 TIP3 8174 -5.474 1.925 13.664 1.00 0.00 WT6 H ATOM 54613 OH2 TIP3 8193 -3.117 -1.598 1.111 1.00 0.00 WT6 O ATOM 54614 H1 TIP3 8193 14.397 6.031 -6.081 1.00 0.00 WT6 H ATOM 54615 H2 TIP3 8193 19.907 -0.280 -2.481 1.00 0.00 WT6 H ATOM 54616 OH2 TIP3 8218 -4.459 1.125 0.970 1.00 0.00 WT6 O ATOM 54617 H1 TIP3 8218 0.143 15.986 13.185 1.00 0.00 WT6 H ATOM 54618 H2 TIP3 8218 -7.574 -5.680 -3.576 1.00 0.00 WT6 H ATOM 54619 OH2 TIP3 8260 0.017 0.961 1.585 1.00 0.00 WT6 O ATOM 54620 H1 TIP3 8260 -2.597 -3.320 18.427 1.00 0.00 WT6 H ATOM 54621 H2 TIP3 8260 23.413 12.112 -5.584 1.00 0.00 WT6 H ATOM 54622 OH2 TIP3 8278 0.959 0.440 -0.807 1.00 0.00 WT6 O ATOM 54623 H1 TIP3 8278 -19.353 0.019 0.525 1.00 0.00 WT6 H ATOM 54624 H2 TIP3 8278 -2.851 2.431 2.407 1.00 0.00 WT6 H ATOM 54625 OH2 TIP3 8383 -4.074 -1.997 -4.899 1.00 0.00 WT6 O ATOM 54626 H1 TIP3 8383 0.304 -15.694 -24.283 1.00 0.00 WT6 H ATOM 54627 H2 TIP3 8383 -12.721 -16.567 11.282 1.00 0.00 WT6 H ATOM 54628 OH2 TIP3 8403 4.326 0.331 -3.279 1.00 0.00 WT6 O ATOM 54629 H1 TIP3 8403 -14.085 -12.371 -9.409 1.00 0.00 WT6 H ATOM 54630 H2 TIP3 8403 16.905 -5.813 5.739 1.00 0.00 WT6 H ATOM 54631 OH2 TIP3 8411 4.614 5.655 6.732 1.00 0.00 WT6 O ATOM 54632 H1 TIP3 8411 -23.512 29.734 0.442 1.00 0.00 WT6 H ATOM 54633 H2 TIP3 8411 11.015 -6.030 -31.363 1.00 0.00 WT6 H ATOM 54634 OH2 TIP3 8425 6.368 -4.358 2.039 1.00 0.00 WT6 O ATOM 54635 H1 TIP3 8425 -16.048 32.401 -12.248 1.00 0.00 WT6 H ATOM 54636 H2 TIP3 8425 19.841 7.037 -21.765 1.00 0.00 WT6 H ATOM 54637 OH2 TIP3 8466 3.667 0.827 1.758 1.00 0.00 WT6 O ATOM 54638 H1 TIP3 8466 3.207 0.838 1.239 1.00 0.00 WT6 H ATOM 54639 H2 TIP3 8466 11.479 -6.440 2.730 1.00 0.00 WT6 H ATOM 54640 OH2 TIP3 8468 -5.499 -7.801 3.969 1.00 0.00 WT6 O ATOM 54641 H1 TIP3 8468 -13.154 -4.756 -0.511 1.00 0.00 WT6 H ATOM 54642 H2 TIP3 8468 -8.638 -19.543 -1.337 1.00 0.00 WT6 H ATOM 54643 OH2 TIP3 8488 6.631 -7.418 -11.804 1.00 0.00 WT6 O ATOM 54644 H1 TIP3 8488 0.397 -13.579 -14.755 1.00 0.00 WT6 H ATOM 54645 H2 TIP3 8488 -0.789 -3.484 7.738 1.00 0.00 WT6 H ATOM 54646 OH2 TIP3 8534 -3.175 -3.210 3.551 1.00 0.00 WT6 O ATOM 54647 H1 TIP3 8534 -2.202 -4.775 -2.216 1.00 0.00 WT6 H ATOM 54648 H2 TIP3 8534 -5.013 -1.729 15.437 1.00 0.00 WT6 H ATOM 54649 OH2 TIP3 8536 0.326 -1.150 3.146 1.00 0.00 WT6 O ATOM 54650 H1 TIP3 8536 5.415 13.757 9.798 1.00 0.00 WT6 H ATOM 54651 H2 TIP3 8536 -7.354 -4.059 -7.384 1.00 0.00 WT6 H ATOM 54652 OH2 TIP3 8549 3.599 2.089 2.343 1.00 0.00 WT6 O ATOM 54653 H1 TIP3 8549 10.528 -16.235 -18.488 1.00 0.00 WT6 H ATOM 54654 H2 TIP3 8549 14.079 4.050 -7.201 1.00 0.00 WT6 H ATOM 54655 OH2 TIP3 8556 -2.323 8.586 -8.201 1.00 0.00 WT6 O ATOM 54656 H1 TIP3 8556 -18.062 -7.411 2.309 1.00 0.00 WT6 H ATOM 54657 H2 TIP3 8556 43.315 39.077 -18.883 1.00 0.00 WT6 H ATOM 54658 OH2 TIP3 8558 -2.293 -2.012 4.318 1.00 0.00 WT6 O ATOM 54659 H1 TIP3 8558 -28.951 -0.248 -4.963 1.00 0.00 WT6 H ATOM 54660 H2 TIP3 8558 6.748 18.289 0.944 1.00 0.00 WT6 H ATOM 54661 OH2 TIP3 8574 1.145 0.708 -7.591 1.00 0.00 WT6 O ATOM 54662 H1 TIP3 8574 -1.245 11.842 21.478 1.00 0.00 WT6 H ATOM 54663 H2 TIP3 8574 6.647 -0.206 -20.287 1.00 0.00 WT6 H ATOM 54664 OH2 TIP3 8653 0.215 0.614 5.476 1.00 0.00 WT6 O ATOM 54665 H1 TIP3 8653 3.780 9.107 -11.037 1.00 0.00 WT6 H ATOM 54666 H2 TIP3 8653 1.438 -18.958 14.920 1.00 0.00 WT6 H ATOM 54667 OH2 TIP3 8662 -3.524 4.033 2.209 1.00 0.00 WT6 O ATOM 54668 H1 TIP3 8662 -2.915 3.369 0.975 1.00 0.00 WT6 H ATOM 54669 H2 TIP3 8662 -4.031 6.053 6.644 1.00 0.00 WT6 H ATOM 54670 OH2 TIP3 8675 -4.633 5.170 3.820 1.00 0.00 WT6 O ATOM 54671 H1 TIP3 8675 -5.390 -15.139 13.315 1.00 0.00 WT6 H ATOM 54672 H2 TIP3 8675 -5.058 -12.767 11.924 1.00 0.00 WT6 H ATOM 54673 OH2 TIP3 8679 0.395 -1.616 -1.686 1.00 0.00 WT6 O ATOM 54674 H1 TIP3 8679 23.154 -6.755 39.576 1.00 0.00 WT6 H ATOM 54675 H2 TIP3 8679 -10.905 0.574 -20.652 1.00 0.00 WT6 H ATOM 54676 OH2 TIP3 8683 2.021 -3.808 -1.228 1.00 0.00 WT6 O ATOM 54677 H1 TIP3 8683 2.747 -9.690 -17.134 1.00 0.00 WT6 H ATOM 54678 H2 TIP3 8683 -15.090 10.095 4.731 1.00 0.00 WT6 H ATOM 54679 OH2 TIP3 8691 -3.561 -5.257 -1.544 1.00 0.00 WT6 O ATOM 54680 H1 TIP3 8691 3.178 -5.616 -13.103 1.00 0.00 WT6 H ATOM 54681 H2 TIP3 8691 11.654 -13.594 -0.977 1.00 0.00 WT6 H ATOM 54682 OH2 TIP3 8695 1.540 -9.854 -1.953 1.00 0.00 WT6 O ATOM 54683 H1 TIP3 8695 2.137 -4.081 28.499 1.00 0.00 WT6 H ATOM 54684 H2 TIP3 8695 15.322 14.392 4.999 1.00 0.00 WT6 H ATOM 54685 OH2 TIP3 8699 0.725 -6.714 -1.137 1.00 0.00 WT6 O ATOM 54686 H1 TIP3 8699 -5.127 -14.012 1.955 1.00 0.00 WT6 H ATOM 54687 H2 TIP3 8699 7.633 4.628 -5.904 1.00 0.00 WT6 H ATOM 54688 OH2 TIP3 8701 -1.141 -2.078 1.648 1.00 0.00 WT6 O ATOM 54689 H1 TIP3 8701 2.281 -2.945 -6.453 1.00 0.00 WT6 H ATOM 54690 H2 TIP3 8701 -7.067 -2.904 4.119 1.00 0.00 WT6 H ATOM 54691 OH2 TIP3 8721 -5.141 0.217 -1.394 1.00 0.00 WT6 O ATOM 54692 H1 TIP3 8721 -11.635 -5.321 0.994 1.00 0.00 WT6 H ATOM 54693 H2 TIP3 8721 -1.252 2.124 -6.419 1.00 0.00 WT6 H ATOM 54694 OH2 TIP3 8722 -4.623 -0.263 2.297 1.00 0.00 WT6 O ATOM 54695 H1 TIP3 8722 -0.029 -0.503 8.979 1.00 0.00 WT6 H ATOM 54696 H2 TIP3 8722 -2.267 0.274 4.247 1.00 0.00 WT6 H ATOM 54697 OH2 TIP3 8780 -8.045 -3.227 7.062 1.00 0.00 WT6 O ATOM 54698 H1 TIP3 8780 -8.285 10.424 15.573 1.00 0.00 WT6 H ATOM 54699 H2 TIP3 8780 -3.098 1.002 6.461 1.00 0.00 WT6 H ATOM 54700 OH2 TIP3 8800 -4.061 3.330 -2.380 1.00 0.00 WT6 O ATOM 54701 H1 TIP3 8800 2.857 14.909 -10.721 1.00 0.00 WT6 H ATOM 54702 H2 TIP3 8800 3.805 -11.810 -16.003 1.00 0.00 WT6 H ATOM 54703 OH2 TIP3 8809 4.963 -3.317 -3.708 1.00 0.00 WT6 O ATOM 54704 H1 TIP3 8809 -0.858 -16.836 -13.640 1.00 0.00 WT6 H ATOM 54705 H2 TIP3 8809 -4.814 -0.210 -12.651 1.00 0.00 WT6 H ATOM 54706 OH2 TIP3 8822 -4.089 1.214 2.367 1.00 0.00 WT6 O ATOM 54707 H1 TIP3 8822 -9.629 0.498 5.830 1.00 0.00 WT6 H ATOM 54708 H2 TIP3 8822 3.394 22.394 -12.025 1.00 0.00 WT6 H ATOM 54709 OH2 TIP3 8829 2.745 -4.369 -1.153 1.00 0.00 WT6 O ATOM 54710 H1 TIP3 8829 2.798 3.389 -20.658 1.00 0.00 WT6 H ATOM 54711 H2 TIP3 8829 23.064 -14.090 -1.427 1.00 0.00 WT6 H ATOM 54712 OH2 TIP3 8845 -1.761 -3.331 5.319 1.00 0.00 WT6 O ATOM 54713 H1 TIP3 8845 -17.133 -6.268 7.516 1.00 0.00 WT6 H ATOM 54714 H2 TIP3 8845 9.136 7.929 -4.144 1.00 0.00 WT6 H ATOM 54715 OH2 TIP3 8890 0.349 1.914 -2.676 1.00 0.00 WT6 O ATOM 54716 H1 TIP3 8890 -5.453 -12.939 -5.092 1.00 0.00 WT6 H ATOM 54717 H2 TIP3 8890 -7.464 15.035 11.100 1.00 0.00 WT6 H ATOM 54718 OH2 TIP3 8927 2.443 4.475 0.959 1.00 0.00 WT6 O ATOM 54719 H1 TIP3 8927 -14.791 -29.019 -6.982 1.00 0.00 WT6 H ATOM 54720 H2 TIP3 8927 19.493 -0.550 -5.571 1.00 0.00 WT6 H ATOM 54721 OH2 TIP3 8935 7.050 8.784 5.229 1.00 0.00 WT6 O ATOM 54722 H1 TIP3 8935 10.659 7.961 8.061 1.00 0.00 WT6 H ATOM 54723 H2 TIP3 8935 -2.494 10.142 2.161 1.00 0.00 WT6 H ATOM 54724 OH2 TIP3 8972 6.627 -6.042 -3.401 1.00 0.00 WT6 O ATOM 54725 H1 TIP3 8972 9.340 -15.320 -0.169 1.00 0.00 WT6 H ATOM 54726 H2 TIP3 8972 -5.107 -2.406 -0.043 1.00 0.00 WT6 H ATOM 54727 OH2 TIP3 8973 -2.335 -0.119 2.380 1.00 0.00 WT6 O ATOM 54728 H1 TIP3 8973 -9.592 15.262 -14.033 1.00 0.00 WT6 H ATOM 54729 H2 TIP3 8973 -2.629 2.596 11.028 1.00 0.00 WT6 H ATOM 54730 OH2 TIP3 8977 5.274 2.731 7.325 1.00 0.00 WT6 O ATOM 54731 H1 TIP3 8977 6.147 11.049 -4.425 1.00 0.00 WT6 H ATOM 54732 H2 TIP3 8977 9.257 10.668 18.053 1.00 0.00 WT6 H ATOM 54733 OH2 TIP3 8988 2.619 0.931 1.958 1.00 0.00 WT6 O ATOM 54734 H1 TIP3 8988 7.648 -15.087 -4.848 1.00 0.00 WT6 H ATOM 54735 H2 TIP3 8988 4.200 -4.980 0.805 1.00 0.00 WT6 H ATOM 54736 OH2 TIP3 9035 -4.857 -5.521 0.078 1.00 0.00 WT6 O ATOM 54737 H1 TIP3 9035 2.906 -9.210 -6.355 1.00 0.00 WT6 H ATOM 54738 H2 TIP3 9035 3.123 -9.102 -8.580 1.00 0.00 WT6 H ATOM 54739 OH2 TIP3 9047 -3.183 1.260 -5.211 1.00 0.00 WT6 O ATOM 54740 H1 TIP3 9047 14.892 7.242 -7.581 1.00 0.00 WT6 H ATOM 54741 H2 TIP3 9047 -15.319 6.106 -1.473 1.00 0.00 WT6 H ATOM 54742 OH2 TIP3 9055 5.787 -0.584 -1.347 1.00 0.00 WT6 O ATOM 54743 H1 TIP3 9055 7.656 -5.612 -7.776 1.00 0.00 WT6 H ATOM 54744 H2 TIP3 9055 12.027 -0.479 1.937 1.00 0.00 WT6 H ATOM 54745 OH2 TIP3 9073 1.519 -3.740 5.094 1.00 0.00 WT6 O ATOM 54746 H1 TIP3 9073 5.932 -17.554 5.306 1.00 0.00 WT6 H ATOM 54747 H2 TIP3 9073 -18.985 -9.190 -9.351 1.00 0.00 WT6 H ATOM 54748 OH2 TIP3 9096 0.401 3.412 -0.918 1.00 0.00 WT6 O ATOM 54749 H1 TIP3 9096 3.163 3.363 -5.904 1.00 0.00 WT6 H ATOM 54750 H2 TIP3 9096 -10.136 -0.868 16.079 1.00 0.00 WT6 H ATOM 54751 OH2 TIP3 9097 2.767 0.089 2.776 1.00 0.00 WT6 O ATOM 54752 H1 TIP3 9097 -5.860 15.252 5.332 1.00 0.00 WT6 H ATOM 54753 H2 TIP3 9097 19.217 -12.535 -29.347 1.00 0.00 WT6 H ATOM 54754 OH2 TIP3 9116 -2.640 -1.292 -2.083 1.00 0.00 WT6 O ATOM 54755 H1 TIP3 9116 -15.072 -2.261 3.670 1.00 0.00 WT6 H ATOM 54756 H2 TIP3 9116 -19.370 -1.704 8.686 1.00 0.00 WT6 H ATOM 54757 OH2 TIP3 9124 0.067 -0.503 -8.343 1.00 0.00 WT6 O ATOM 54758 H1 TIP3 9124 0.130 6.333 5.718 1.00 0.00 WT6 H ATOM 54759 H2 TIP3 9124 17.733 0.134 -4.339 1.00 0.00 WT6 H ATOM 54760 OH2 TIP3 9143 -5.635 5.162 -1.110 1.00 0.00 WT6 O ATOM 54761 H1 TIP3 9143 -4.289 9.075 -20.934 1.00 0.00 WT6 H ATOM 54762 H2 TIP3 9143 13.185 4.158 -1.095 1.00 0.00 WT6 H ATOM 54763 OH2 TIP3 9144 2.482 4.183 -3.271 1.00 0.00 WT6 O ATOM 54764 H1 TIP3 9144 9.742 7.342 -1.738 1.00 0.00 WT6 H ATOM 54765 H2 TIP3 9144 11.257 -1.043 -8.342 1.00 0.00 WT6 H ATOM 54766 OH2 TIP3 9157 0.501 -1.935 -2.866 1.00 0.00 WT6 O ATOM 54767 H1 TIP3 9157 1.677 -1.584 -9.269 1.00 0.00 WT6 H ATOM 54768 H2 TIP3 9157 4.311 8.508 -5.509 1.00 0.00 WT6 H ATOM 54769 OH2 TIP3 9158 -4.404 -0.030 0.058 1.00 0.00 WT6 O ATOM 54770 H1 TIP3 9158 -14.913 5.883 -13.815 1.00 0.00 WT6 H ATOM 54771 H2 TIP3 9158 -3.215 -9.551 8.995 1.00 0.00 WT6 H ATOM 54772 OH2 TIP3 9162 3.418 -1.186 0.823 1.00 0.00 WT6 O ATOM 54773 H1 TIP3 9162 -1.380 3.634 -14.835 1.00 0.00 WT6 H ATOM 54774 H2 TIP3 9162 -1.097 -1.698 -0.309 1.00 0.00 WT6 H ATOM 54775 OH2 TIP3 9183 4.428 -0.454 3.272 1.00 0.00 WT6 O ATOM 54776 H1 TIP3 9183 9.357 -3.277 6.151 1.00 0.00 WT6 H ATOM 54777 H2 TIP3 9183 -1.740 3.759 0.510 1.00 0.00 WT6 H ATOM 54778 OH2 TIP3 9184 -3.403 1.908 -0.546 1.00 0.00 WT6 O ATOM 54779 H1 TIP3 9184 -5.238 10.193 -1.415 1.00 0.00 WT6 H ATOM 54780 H2 TIP3 9184 4.064 -18.927 3.914 1.00 0.00 WT6 H ATOM 54781 OH2 TIP3 9198 -8.589 1.219 1.437 1.00 0.00 WT6 O ATOM 54782 H1 TIP3 9198 -22.801 1.132 -3.756 1.00 0.00 WT6 H ATOM 54783 H2 TIP3 9198 -23.153 5.550 -6.448 1.00 0.00 WT6 H ATOM 54784 OH2 TIP3 9223 2.559 -3.795 -2.494 1.00 0.00 WT6 O ATOM 54785 H1 TIP3 9223 -11.307 17.350 -10.578 1.00 0.00 WT6 H ATOM 54786 H2 TIP3 9223 3.993 -7.463 6.256 1.00 0.00 WT6 H ATOM 54787 OH2 TIP3 9227 0.828 2.454 3.081 1.00 0.00 WT6 O ATOM 54788 H1 TIP3 9227 -20.212 1.837 7.686 1.00 0.00 WT6 H ATOM 54789 H2 TIP3 9227 11.448 -0.667 -6.474 1.00 0.00 WT6 H ATOM 54790 OH2 TIP3 9250 8.433 -1.248 -8.895 1.00 0.00 WT6 O ATOM 54791 H1 TIP3 9250 -4.913 4.808 -25.757 1.00 0.00 WT6 H ATOM 54792 H2 TIP3 9250 6.911 1.203 17.435 1.00 0.00 WT6 H ATOM 54793 OH2 TIP3 5 -2.848 2.594 -1.508 1.00 0.00 WT7 O ATOM 54794 H1 TIP3 5 -2.889 41.683 -6.050 1.00 0.00 WT7 H ATOM 54795 H2 TIP3 5 -9.158 -14.915 -1.595 1.00 0.00 WT7 H ATOM 54796 OH2 TIP3 8 5.590 0.488 -0.321 1.00 0.00 WT7 O ATOM 54797 H1 TIP3 8 -28.804 -12.288 -11.949 1.00 0.00 WT7 H ATOM 54798 H2 TIP3 8 11.158 -22.245 15.008 1.00 0.00 WT7 H ATOM 54799 OH2 TIP3 15 -0.272 2.715 -9.158 1.00 0.00 WT7 O ATOM 54800 H1 TIP3 15 -11.507 -11.936 3.268 1.00 0.00 WT7 H ATOM 54801 H2 TIP3 15 13.637 16.409 -25.572 1.00 0.00 WT7 H ATOM 54802 OH2 TIP3 19 -4.910 -3.304 1.910 1.00 0.00 WT7 O ATOM 54803 H1 TIP3 19 6.121 -7.149 -6.217 1.00 0.00 WT7 H ATOM 54804 H2 TIP3 19 -21.961 -13.436 -13.472 1.00 0.00 WT7 H ATOM 54805 OH2 TIP3 37 -0.471 6.261 0.270 1.00 0.00 WT7 O ATOM 54806 H1 TIP3 37 11.511 16.650 6.334 1.00 0.00 WT7 H ATOM 54807 H2 TIP3 37 7.560 15.770 -19.773 1.00 0.00 WT7 H ATOM 54808 OH2 TIP3 42 -1.868 0.411 -9.816 1.00 0.00 WT7 O ATOM 54809 H1 TIP3 42 -4.242 8.248 -12.421 1.00 0.00 WT7 H ATOM 54810 H2 TIP3 42 7.762 -6.891 -6.377 1.00 0.00 WT7 H ATOM 54811 OH2 TIP3 44 -2.833 -2.574 -4.607 1.00 0.00 WT7 O ATOM 54812 H1 TIP3 44 -1.100 -2.210 -6.364 1.00 0.00 WT7 H ATOM 54813 H2 TIP3 44 4.037 -9.246 1.012 1.00 0.00 WT7 H ATOM 54814 OH2 TIP3 48 1.170 -5.764 -5.664 1.00 0.00 WT7 O ATOM 54815 H1 TIP3 48 -3.708 -21.714 -1.847 1.00 0.00 WT7 H ATOM 54816 H2 TIP3 48 12.449 14.778 4.955 1.00 0.00 WT7 H ATOM 54817 OH2 TIP3 52 -0.231 3.177 2.369 1.00 0.00 WT7 O ATOM 54818 H1 TIP3 52 3.026 10.178 8.508 1.00 0.00 WT7 H ATOM 54819 H2 TIP3 52 -14.038 -16.811 -5.083 1.00 0.00 WT7 H ATOM 54820 OH2 TIP3 53 1.720 4.684 7.777 1.00 0.00 WT7 O ATOM 54821 H1 TIP3 53 10.789 17.792 20.503 1.00 0.00 WT7 H ATOM 54822 H2 TIP3 53 -9.208 0.218 13.556 1.00 0.00 WT7 H ATOM 54823 OH2 TIP3 55 -2.829 -8.441 4.010 1.00 0.00 WT7 O ATOM 54824 H1 TIP3 55 6.548 -12.210 -12.327 1.00 0.00 WT7 H ATOM 54825 H2 TIP3 55 -12.965 -12.353 -14.859 1.00 0.00 WT7 H ATOM 54826 OH2 TIP3 61 -1.357 0.304 -0.558 1.00 0.00 WT7 O ATOM 54827 H1 TIP3 61 -12.985 -3.333 9.465 1.00 0.00 WT7 H ATOM 54828 H2 TIP3 61 1.222 -14.524 -3.771 1.00 0.00 WT7 H ATOM 54829 OH2 TIP3 67 -2.241 0.970 0.341 1.00 0.00 WT7 O ATOM 54830 H1 TIP3 67 6.715 11.742 -5.222 1.00 0.00 WT7 H ATOM 54831 H2 TIP3 67 13.940 20.921 -18.690 1.00 0.00 WT7 H ATOM 54832 OH2 TIP3 78 -1.205 3.521 -4.481 1.00 0.00 WT7 O ATOM 54833 H1 TIP3 78 6.122 9.243 2.498 1.00 0.00 WT7 H ATOM 54834 H2 TIP3 78 -9.558 -3.759 -6.604 1.00 0.00 WT7 H ATOM 54835 OH2 TIP3 87 8.067 3.941 1.738 1.00 0.00 WT7 O ATOM 54836 H1 TIP3 87 -1.419 14.869 -10.352 1.00 0.00 WT7 H ATOM 54837 H2 TIP3 87 9.006 -4.015 14.566 1.00 0.00 WT7 H ATOM 54838 OH2 TIP3 94 8.107 1.017 4.085 1.00 0.00 WT7 O ATOM 54839 H1 TIP3 94 1.789 -3.801 5.885 1.00 0.00 WT7 H ATOM 54840 H2 TIP3 94 13.422 -3.304 3.950 1.00 0.00 WT7 H ATOM 54841 OH2 TIP3 95 -0.672 -0.747 -4.631 1.00 0.00 WT7 O ATOM 54842 H1 TIP3 95 7.650 5.792 -33.970 1.00 0.00 WT7 H ATOM 54843 H2 TIP3 95 0.597 1.069 -7.612 1.00 0.00 WT7 H ATOM 54844 OH2 TIP3 113 -1.668 -0.756 5.516 1.00 0.00 WT7 O ATOM 54845 H1 TIP3 113 16.596 -0.282 8.911 1.00 0.00 WT7 H ATOM 54846 H2 TIP3 113 1.873 -4.738 -9.009 1.00 0.00 WT7 H ATOM 54847 OH2 TIP3 115 -5.550 0.376 -3.827 1.00 0.00 WT7 O ATOM 54848 H1 TIP3 115 -1.674 -0.833 -4.819 1.00 0.00 WT7 H ATOM 54849 H2 TIP3 115 -0.041 0.208 5.175 1.00 0.00 WT7 H ATOM 54850 OH2 TIP3 122 -0.619 6.199 -3.571 1.00 0.00 WT7 O ATOM 54851 H1 TIP3 122 11.147 -8.692 -9.807 1.00 0.00 WT7 H ATOM 54852 H2 TIP3 122 -19.315 -6.222 -9.762 1.00 0.00 WT7 H ATOM 54853 OH2 TIP3 128 -0.221 -0.871 0.552 1.00 0.00 WT7 O ATOM 54854 H1 TIP3 128 -2.197 4.304 4.518 1.00 0.00 WT7 H ATOM 54855 H2 TIP3 128 7.497 -11.304 -9.647 1.00 0.00 WT7 H ATOM 54856 OH2 TIP3 135 4.399 -8.034 3.065 1.00 0.00 WT7 O ATOM 54857 H1 TIP3 135 -11.320 -19.794 -4.003 1.00 0.00 WT7 H ATOM 54858 H2 TIP3 135 11.805 -2.469 31.122 1.00 0.00 WT7 H ATOM 54859 OH2 TIP3 137 0.647 -3.609 -2.135 1.00 0.00 WT7 O ATOM 54860 H1 TIP3 137 -8.503 -15.966 -4.657 1.00 0.00 WT7 H ATOM 54861 H2 TIP3 137 -10.595 16.086 -4.118 1.00 0.00 WT7 H ATOM 54862 OH2 TIP3 149 1.063 5.205 -1.710 1.00 0.00 WT7 O ATOM 54863 H1 TIP3 149 4.531 21.677 -6.788 1.00 0.00 WT7 H ATOM 54864 H2 TIP3 149 14.184 0.166 12.943 1.00 0.00 WT7 H ATOM 54865 OH2 TIP3 150 1.459 -4.720 0.201 1.00 0.00 WT7 O ATOM 54866 H1 TIP3 150 15.688 -11.943 2.124 1.00 0.00 WT7 H ATOM 54867 H2 TIP3 150 -6.747 -4.603 -9.429 1.00 0.00 WT7 H ATOM 54868 OH2 TIP3 153 -2.421 -1.472 -4.717 1.00 0.00 WT7 O ATOM 54869 H1 TIP3 153 18.394 -7.941 13.831 1.00 0.00 WT7 H ATOM 54870 H2 TIP3 153 2.378 19.906 -7.633 1.00 0.00 WT7 H ATOM 54871 OH2 TIP3 155 -1.607 -0.654 2.613 1.00 0.00 WT7 O ATOM 54872 H1 TIP3 155 -26.918 22.037 -5.413 1.00 0.00 WT7 H ATOM 54873 H2 TIP3 155 -3.807 -6.459 -8.904 1.00 0.00 WT7 H ATOM 54874 OH2 TIP3 165 -6.634 0.567 0.690 1.00 0.00 WT7 O ATOM 54875 H1 TIP3 165 -16.332 4.858 -3.754 1.00 0.00 WT7 H ATOM 54876 H2 TIP3 165 13.955 -5.392 8.848 1.00 0.00 WT7 H ATOM 54877 OH2 TIP3 167 3.974 -1.815 -3.246 1.00 0.00 WT7 O ATOM 54878 H1 TIP3 167 -1.229 14.886 8.115 1.00 0.00 WT7 H ATOM 54879 H2 TIP3 167 1.792 6.840 3.238 1.00 0.00 WT7 H ATOM 54880 OH2 TIP3 175 2.188 2.146 4.390 1.00 0.00 WT7 O ATOM 54881 H1 TIP3 175 8.811 -20.666 19.838 1.00 0.00 WT7 H ATOM 54882 H2 TIP3 175 15.095 -24.297 1.768 1.00 0.00 WT7 H ATOM 54883 OH2 TIP3 177 -2.460 2.513 -4.791 1.00 0.00 WT7 O ATOM 54884 H1 TIP3 177 -6.143 -1.804 -0.985 1.00 0.00 WT7 H ATOM 54885 H2 TIP3 177 -5.252 -3.029 0.902 1.00 0.00 WT7 H ATOM 54886 OH2 TIP3 201 -6.837 -4.475 4.071 1.00 0.00 WT7 O ATOM 54887 H1 TIP3 201 10.951 -14.979 -1.642 1.00 0.00 WT7 H ATOM 54888 H2 TIP3 201 -14.406 4.875 -2.736 1.00 0.00 WT7 H ATOM 54889 OH2 TIP3 225 1.626 3.607 4.713 1.00 0.00 WT7 O ATOM 54890 H1 TIP3 225 -6.247 13.854 8.974 1.00 0.00 WT7 H ATOM 54891 H2 TIP3 225 -3.132 -14.829 -13.088 1.00 0.00 WT7 H ATOM 54892 OH2 TIP3 234 0.075 -6.393 -2.131 1.00 0.00 WT7 O ATOM 54893 H1 TIP3 234 5.534 -1.707 3.559 1.00 0.00 WT7 H ATOM 54894 H2 TIP3 234 -0.222 -9.510 -5.567 1.00 0.00 WT7 H ATOM 54895 OH2 TIP3 237 -2.881 -4.571 -3.657 1.00 0.00 WT7 O ATOM 54896 H1 TIP3 237 -8.845 -30.379 10.975 1.00 0.00 WT7 H ATOM 54897 H2 TIP3 237 2.575 -5.106 -2.980 1.00 0.00 WT7 H ATOM 54898 OH2 TIP3 261 -6.120 -1.733 1.472 1.00 0.00 WT7 O ATOM 54899 H1 TIP3 261 7.861 -9.558 5.997 1.00 0.00 WT7 H ATOM 54900 H2 TIP3 261 -8.400 11.966 10.760 1.00 0.00 WT7 H ATOM 54901 OH2 TIP3 268 6.338 -9.942 -3.347 1.00 0.00 WT7 O ATOM 54902 H1 TIP3 268 -13.345 -11.612 -14.826 1.00 0.00 WT7 H ATOM 54903 H2 TIP3 268 6.932 -39.086 -8.055 1.00 0.00 WT7 H ATOM 54904 OH2 TIP3 313 0.496 1.347 -2.817 1.00 0.00 WT7 O ATOM 54905 H1 TIP3 313 -4.156 -2.246 -5.007 1.00 0.00 WT7 H ATOM 54906 H2 TIP3 313 -0.774 3.783 -9.833 1.00 0.00 WT7 H ATOM 54907 OH2 TIP3 379 0.897 6.840 6.964 1.00 0.00 WT7 O ATOM 54908 H1 TIP3 379 -4.623 3.846 8.654 1.00 0.00 WT7 H ATOM 54909 H2 TIP3 379 -15.697 -0.736 12.277 1.00 0.00 WT7 H ATOM 54910 OH2 TIP3 400 -6.150 4.264 0.414 1.00 0.00 WT7 O ATOM 54911 H1 TIP3 400 -16.599 -10.256 0.305 1.00 0.00 WT7 H ATOM 54912 H2 TIP3 400 -9.465 23.224 -8.710 1.00 0.00 WT7 H ATOM 54913 OH2 TIP3 417 -2.401 -4.132 -3.017 1.00 0.00 WT7 O ATOM 54914 H1 TIP3 417 -9.165 -2.708 1.880 1.00 0.00 WT7 H ATOM 54915 H2 TIP3 417 -6.891 -5.704 -10.975 1.00 0.00 WT7 H ATOM 54916 OH2 TIP3 449 3.586 6.731 2.348 1.00 0.00 WT7 O ATOM 54917 H1 TIP3 449 -13.101 -13.235 -3.584 1.00 0.00 WT7 H ATOM 54918 H2 TIP3 449 -6.893 10.265 4.801 1.00 0.00 WT7 H ATOM 54919 OH2 TIP3 462 0.350 -4.023 4.999 1.00 0.00 WT7 O ATOM 54920 H1 TIP3 462 10.758 -7.767 8.602 1.00 0.00 WT7 H ATOM 54921 H2 TIP3 462 -7.134 -9.210 4.048 1.00 0.00 WT7 H ATOM 54922 OH2 TIP3 463 -2.521 -0.364 1.915 1.00 0.00 WT7 O ATOM 54923 H1 TIP3 463 -6.141 1.757 13.120 1.00 0.00 WT7 H ATOM 54924 H2 TIP3 463 -5.226 -6.042 -13.693 1.00 0.00 WT7 H ATOM 54925 OH2 TIP3 485 -1.651 -2.900 -6.070 1.00 0.00 WT7 O ATOM 54926 H1 TIP3 485 4.934 -5.710 -5.840 1.00 0.00 WT7 H ATOM 54927 H2 TIP3 485 10.423 14.995 4.772 1.00 0.00 WT7 H ATOM 54928 OH2 TIP3 486 -0.185 -0.214 -2.170 1.00 0.00 WT7 O ATOM 54929 H1 TIP3 486 7.487 -10.681 7.116 1.00 0.00 WT7 H ATOM 54930 H2 TIP3 486 -15.313 -3.121 -15.950 1.00 0.00 WT7 H ATOM 54931 OH2 TIP3 489 1.484 -6.084 -3.285 1.00 0.00 WT7 O ATOM 54932 H1 TIP3 489 0.488 -6.324 -4.414 1.00 0.00 WT7 H ATOM 54933 H2 TIP3 489 -4.276 -5.725 -8.061 1.00 0.00 WT7 H ATOM 54934 OH2 TIP3 490 -0.090 -1.969 -4.678 1.00 0.00 WT7 O ATOM 54935 H1 TIP3 490 12.200 -8.841 -3.665 1.00 0.00 WT7 H ATOM 54936 H2 TIP3 490 -6.378 1.921 -2.392 1.00 0.00 WT7 H ATOM 54937 OH2 TIP3 491 0.397 -4.332 -5.307 1.00 0.00 WT7 O ATOM 54938 H1 TIP3 491 10.395 -16.857 -2.225 1.00 0.00 WT7 H ATOM 54939 H2 TIP3 491 8.930 3.095 -5.236 1.00 0.00 WT7 H ATOM 54940 OH2 TIP3 494 -4.356 -2.859 4.519 1.00 0.00 WT7 O ATOM 54941 H1 TIP3 494 3.958 -4.751 0.652 1.00 0.00 WT7 H ATOM 54942 H2 TIP3 494 -8.896 3.969 14.415 1.00 0.00 WT7 H ATOM 54943 OH2 TIP3 501 0.435 0.665 -1.088 1.00 0.00 WT7 O ATOM 54944 H1 TIP3 501 -2.832 6.889 20.595 1.00 0.00 WT7 H ATOM 54945 H2 TIP3 501 9.788 8.091 -15.939 1.00 0.00 WT7 H ATOM 54946 OH2 TIP3 502 -1.926 -0.148 3.397 1.00 0.00 WT7 O ATOM 54947 H1 TIP3 502 1.225 -5.520 -5.948 1.00 0.00 WT7 H ATOM 54948 H2 TIP3 502 -9.056 8.528 -6.861 1.00 0.00 WT7 H ATOM 54949 OH2 TIP3 503 2.666 5.147 -6.303 1.00 0.00 WT7 O ATOM 54950 H1 TIP3 503 22.176 -8.903 2.055 1.00 0.00 WT7 H ATOM 54951 H2 TIP3 503 -27.725 16.247 -2.613 1.00 0.00 WT7 H ATOM 54952 OH2 TIP3 506 0.074 -4.935 3.777 1.00 0.00 WT7 O ATOM 54953 H1 TIP3 506 -12.417 -12.696 32.956 1.00 0.00 WT7 H ATOM 54954 H2 TIP3 506 -6.366 -14.152 -16.685 1.00 0.00 WT7 H ATOM 54955 OH2 TIP3 509 3.179 0.657 -4.271 1.00 0.00 WT7 O ATOM 54956 H1 TIP3 509 4.685 10.117 -3.755 1.00 0.00 WT7 H ATOM 54957 H2 TIP3 509 6.652 -13.504 -11.353 1.00 0.00 WT7 H ATOM 54958 OH2 TIP3 511 -0.595 -2.346 0.507 1.00 0.00 WT7 O ATOM 54959 H1 TIP3 511 -13.346 28.257 0.898 1.00 0.00 WT7 H ATOM 54960 H2 TIP3 511 -4.347 -4.604 -0.249 1.00 0.00 WT7 H ATOM 54961 OH2 TIP3 515 3.826 -0.334 -3.823 1.00 0.00 WT7 O ATOM 54962 H1 TIP3 515 14.269 12.131 -8.428 1.00 0.00 WT7 H ATOM 54963 H2 TIP3 515 7.936 -7.308 9.747 1.00 0.00 WT7 H ATOM 54964 OH2 TIP3 516 0.645 1.140 0.055 1.00 0.00 WT7 O ATOM 54965 H1 TIP3 516 -5.895 -9.049 5.819 1.00 0.00 WT7 H ATOM 54966 H2 TIP3 516 -3.017 -0.898 -18.018 1.00 0.00 WT7 H ATOM 54967 OH2 TIP3 520 1.424 0.383 4.479 1.00 0.00 WT7 O ATOM 54968 H1 TIP3 520 0.905 3.546 11.527 1.00 0.00 WT7 H ATOM 54969 H2 TIP3 520 2.515 -0.745 3.113 1.00 0.00 WT7 H ATOM 54970 OH2 TIP3 526 2.414 5.586 -8.127 1.00 0.00 WT7 O ATOM 54971 H1 TIP3 526 19.434 -23.160 -21.861 1.00 0.00 WT7 H ATOM 54972 H2 TIP3 526 -8.090 1.915 10.358 1.00 0.00 WT7 H ATOM 54973 OH2 TIP3 540 -0.777 -0.894 -0.384 1.00 0.00 WT7 O ATOM 54974 H1 TIP3 540 -3.479 -25.956 -5.857 1.00 0.00 WT7 H ATOM 54975 H2 TIP3 540 8.959 5.546 -17.576 1.00 0.00 WT7 H ATOM 54976 OH2 TIP3 541 -1.972 6.402 -10.076 1.00 0.00 WT7 O ATOM 54977 H1 TIP3 541 2.309 6.833 1.375 1.00 0.00 WT7 H ATOM 54978 H2 TIP3 541 -5.858 13.194 -14.966 1.00 0.00 WT7 H ATOM 54979 OH2 TIP3 548 1.040 1.843 1.398 1.00 0.00 WT7 O ATOM 54980 H1 TIP3 548 9.398 -1.266 -10.236 1.00 0.00 WT7 H ATOM 54981 H2 TIP3 548 14.731 -7.630 -19.928 1.00 0.00 WT7 H ATOM 54982 OH2 TIP3 550 -5.285 -7.408 3.233 1.00 0.00 WT7 O ATOM 54983 H1 TIP3 550 -4.854 -6.758 3.208 1.00 0.00 WT7 H ATOM 54984 H2 TIP3 550 -28.996 9.284 18.973 1.00 0.00 WT7 H ATOM 54985 OH2 TIP3 551 2.708 0.750 -1.786 1.00 0.00 WT7 O ATOM 54986 H1 TIP3 551 10.723 -13.530 15.762 1.00 0.00 WT7 H ATOM 54987 H2 TIP3 551 -12.214 -9.967 -10.947 1.00 0.00 WT7 H ATOM 54988 OH2 TIP3 555 9.199 1.930 -2.652 1.00 0.00 WT7 O ATOM 54989 H1 TIP3 555 -5.910 -8.754 -7.196 1.00 0.00 WT7 H ATOM 54990 H2 TIP3 555 13.867 -2.128 7.309 1.00 0.00 WT7 H ATOM 54991 OH2 TIP3 556 6.926 -1.775 -4.506 1.00 0.00 WT7 O ATOM 54992 H1 TIP3 556 -1.311 21.843 -0.915 1.00 0.00 WT7 H ATOM 54993 H2 TIP3 556 25.341 -2.276 1.925 1.00 0.00 WT7 H ATOM 54994 OH2 TIP3 562 -4.883 0.606 0.422 1.00 0.00 WT7 O ATOM 54995 H1 TIP3 562 -6.700 2.438 7.514 1.00 0.00 WT7 H ATOM 54996 H2 TIP3 562 -26.739 -26.682 14.337 1.00 0.00 WT7 H ATOM 54997 OH2 TIP3 564 0.066 -3.395 2.924 1.00 0.00 WT7 O ATOM 54998 H1 TIP3 564 -12.670 17.302 1.621 1.00 0.00 WT7 H ATOM 54999 H2 TIP3 564 1.052 2.796 5.239 1.00 0.00 WT7 H ATOM 55000 OH2 TIP3 573 0.688 4.163 -2.780 1.00 0.00 WT7 O ATOM 55001 H1 TIP3 573 -45.951 9.703 7.446 1.00 0.00 WT7 H ATOM 55002 H2 TIP3 573 22.100 1.713 -7.596 1.00 0.00 WT7 H ATOM 55003 OH2 TIP3 575 -0.893 -5.842 6.972 1.00 0.00 WT7 O ATOM 55004 H1 TIP3 575 5.620 10.327 11.645 1.00 0.00 WT7 H ATOM 55005 H2 TIP3 575 -6.951 -14.676 17.413 1.00 0.00 WT7 H ATOM 55006 OH2 TIP3 576 2.114 6.491 2.654 1.00 0.00 WT7 O ATOM 55007 H1 TIP3 576 9.877 -20.041 -7.612 1.00 0.00 WT7 H ATOM 55008 H2 TIP3 576 -7.671 30.557 16.058 1.00 0.00 WT7 H ATOM 55009 OH2 TIP3 578 1.241 4.810 9.507 1.00 0.00 WT7 O ATOM 55010 H1 TIP3 578 18.427 26.893 -9.562 1.00 0.00 WT7 H ATOM 55011 H2 TIP3 578 16.275 -3.369 8.045 1.00 0.00 WT7 H ATOM 55012 OH2 TIP3 584 4.291 2.541 -6.636 1.00 0.00 WT7 O ATOM 55013 H1 TIP3 584 7.650 -5.259 -5.044 1.00 0.00 WT7 H ATOM 55014 H2 TIP3 584 5.586 -3.333 -25.918 1.00 0.00 WT7 H ATOM 55015 OH2 TIP3 586 -2.060 -10.509 3.520 1.00 0.00 WT7 O ATOM 55016 H1 TIP3 586 -14.967 0.851 -0.946 1.00 0.00 WT7 H ATOM 55017 H2 TIP3 586 -14.798 -14.239 13.439 1.00 0.00 WT7 H ATOM 55018 OH2 TIP3 591 -3.696 2.366 -0.100 1.00 0.00 WT7 O ATOM 55019 H1 TIP3 591 -13.465 2.223 6.075 1.00 0.00 WT7 H ATOM 55020 H2 TIP3 591 1.496 2.945 -2.034 1.00 0.00 WT7 H ATOM 55021 OH2 TIP3 593 -7.150 -5.182 -1.676 1.00 0.00 WT7 O ATOM 55022 H1 TIP3 593 23.567 2.368 10.328 1.00 0.00 WT7 H ATOM 55023 H2 TIP3 593 -6.915 -5.206 1.816 1.00 0.00 WT7 H ATOM 55024 OH2 TIP3 594 -3.331 -2.843 1.445 1.00 0.00 WT7 O ATOM 55025 H1 TIP3 594 27.978 -14.098 2.689 1.00 0.00 WT7 H ATOM 55026 H2 TIP3 594 -22.872 10.311 10.173 1.00 0.00 WT7 H ATOM 55027 OH2 TIP3 599 3.942 -3.062 -0.943 1.00 0.00 WT7 O ATOM 55028 H1 TIP3 599 1.489 -11.442 21.199 1.00 0.00 WT7 H ATOM 55029 H2 TIP3 599 3.346 0.189 -10.795 1.00 0.00 WT7 H ATOM 55030 OH2 TIP3 602 -0.857 -0.490 -0.397 1.00 0.00 WT7 O ATOM 55031 H1 TIP3 602 14.383 -23.137 -22.811 1.00 0.00 WT7 H ATOM 55032 H2 TIP3 602 -7.115 9.985 9.653 1.00 0.00 WT7 H ATOM 55033 OH2 TIP3 606 1.665 0.705 6.265 1.00 0.00 WT7 O ATOM 55034 H1 TIP3 606 -3.894 5.463 -18.134 1.00 0.00 WT7 H ATOM 55035 H2 TIP3 606 -0.045 -0.939 6.657 1.00 0.00 WT7 H ATOM 55036 OH2 TIP3 626 -3.531 -0.537 5.722 1.00 0.00 WT7 O ATOM 55037 H1 TIP3 626 -6.264 10.938 0.724 1.00 0.00 WT7 H ATOM 55038 H2 TIP3 626 3.454 0.758 11.616 1.00 0.00 WT7 H ATOM 55039 OH2 TIP3 638 -5.006 -6.274 -6.068 1.00 0.00 WT7 O ATOM 55040 H1 TIP3 638 -13.043 -2.584 -5.703 1.00 0.00 WT7 H ATOM 55041 H2 TIP3 638 -8.256 -27.089 6.699 1.00 0.00 WT7 H ATOM 55042 OH2 TIP3 639 -2.690 -6.994 0.437 1.00 0.00 WT7 O ATOM 55043 H1 TIP3 639 -10.847 7.962 -2.745 1.00 0.00 WT7 H ATOM 55044 H2 TIP3 639 4.747 5.383 -11.711 1.00 0.00 WT7 H ATOM 55045 OH2 TIP3 649 7.335 2.318 -0.336 1.00 0.00 WT7 O ATOM 55046 H1 TIP3 649 7.420 -7.398 -2.287 1.00 0.00 WT7 H ATOM 55047 H2 TIP3 649 -1.820 2.313 -9.138 1.00 0.00 WT7 H ATOM 55048 OH2 TIP3 650 2.574 2.951 6.192 1.00 0.00 WT7 O ATOM 55049 H1 TIP3 650 15.092 -22.900 -13.611 1.00 0.00 WT7 H ATOM 55050 H2 TIP3 650 3.266 -2.586 11.900 1.00 0.00 WT7 H ATOM 55051 OH2 TIP3 662 1.265 4.752 1.341 1.00 0.00 WT7 O ATOM 55052 H1 TIP3 662 7.316 -8.570 -14.199 1.00 0.00 WT7 H ATOM 55053 H2 TIP3 662 1.900 17.777 13.573 1.00 0.00 WT7 H ATOM 55054 OH2 TIP3 666 -6.219 3.240 -0.977 1.00 0.00 WT7 O ATOM 55055 H1 TIP3 666 0.698 18.164 7.381 1.00 0.00 WT7 H ATOM 55056 H2 TIP3 666 8.598 16.292 -25.828 1.00 0.00 WT7 H ATOM 55057 OH2 TIP3 668 -2.994 -4.622 2.113 1.00 0.00 WT7 O ATOM 55058 H1 TIP3 668 -4.542 -3.318 3.577 1.00 0.00 WT7 H ATOM 55059 H2 TIP3 668 23.208 -5.023 2.349 1.00 0.00 WT7 H ATOM 55060 OH2 TIP3 711 -0.469 -0.262 -0.186 1.00 0.00 WT7 O ATOM 55061 H1 TIP3 711 27.796 -0.338 -4.478 1.00 0.00 WT7 H ATOM 55062 H2 TIP3 711 -34.425 21.161 -6.042 1.00 0.00 WT7 H ATOM 55063 OH2 TIP3 822 1.999 8.369 -3.337 1.00 0.00 WT7 O ATOM 55064 H1 TIP3 822 2.566 9.262 -0.209 1.00 0.00 WT7 H ATOM 55065 H2 TIP3 822 3.238 11.487 9.311 1.00 0.00 WT7 H ATOM 55066 OH2 TIP3 836 -4.367 -0.880 -1.616 1.00 0.00 WT7 O ATOM 55067 H1 TIP3 836 6.016 -19.974 -0.507 1.00 0.00 WT7 H ATOM 55068 H2 TIP3 836 14.111 -2.836 -17.444 1.00 0.00 WT7 H ATOM 55069 OH2 TIP3 852 -3.225 -1.204 0.581 1.00 0.00 WT7 O ATOM 55070 H1 TIP3 852 -8.624 9.454 11.742 1.00 0.00 WT7 H ATOM 55071 H2 TIP3 852 -5.464 6.475 6.470 1.00 0.00 WT7 H ATOM 55072 OH2 TIP3 854 -0.749 -5.289 -4.032 1.00 0.00 WT7 O ATOM 55073 H1 TIP3 854 13.392 18.839 17.307 1.00 0.00 WT7 H ATOM 55074 H2 TIP3 854 -17.807 -7.643 0.212 1.00 0.00 WT7 H ATOM 55075 OH2 TIP3 860 2.663 -0.890 -5.769 1.00 0.00 WT7 O ATOM 55076 H1 TIP3 860 20.852 2.212 -1.177 1.00 0.00 WT7 H ATOM 55077 H2 TIP3 860 -1.340 -20.851 0.015 1.00 0.00 WT7 H ATOM 55078 OH2 TIP3 889 2.607 -5.793 5.267 1.00 0.00 WT7 O ATOM 55079 H1 TIP3 889 -25.429 3.432 -1.832 1.00 0.00 WT7 H ATOM 55080 H2 TIP3 889 18.194 -9.981 8.932 1.00 0.00 WT7 H ATOM 55081 OH2 TIP3 892 -3.558 4.040 5.590 1.00 0.00 WT7 O ATOM 55082 H1 TIP3 892 -3.735 4.854 23.959 1.00 0.00 WT7 H ATOM 55083 H2 TIP3 892 -3.853 5.696 11.965 1.00 0.00 WT7 H ATOM 55084 OH2 TIP3 895 1.032 3.610 -13.058 1.00 0.00 WT7 O ATOM 55085 H1 TIP3 895 3.224 1.577 -14.390 1.00 0.00 WT7 H ATOM 55086 H2 TIP3 895 15.350 38.148 8.537 1.00 0.00 WT7 H ATOM 55087 OH2 TIP3 908 -1.734 1.762 -4.066 1.00 0.00 WT7 O ATOM 55088 H1 TIP3 908 -7.012 9.387 -10.272 1.00 0.00 WT7 H ATOM 55089 H2 TIP3 908 -11.221 6.090 -8.201 1.00 0.00 WT7 H ATOM 55090 OH2 TIP3 919 4.344 0.417 -2.473 1.00 0.00 WT7 O ATOM 55091 H1 TIP3 919 7.154 -4.422 -13.050 1.00 0.00 WT7 H ATOM 55092 H2 TIP3 919 11.753 -1.381 -10.609 1.00 0.00 WT7 H ATOM 55093 OH2 TIP3 928 0.738 -10.706 4.627 1.00 0.00 WT7 O ATOM 55094 H1 TIP3 928 21.385 -11.852 -23.529 1.00 0.00 WT7 H ATOM 55095 H2 TIP3 928 1.048 -6.753 1.937 1.00 0.00 WT7 H ATOM 55096 OH2 TIP3 930 -4.135 5.028 -3.202 1.00 0.00 WT7 O ATOM 55097 H1 TIP3 930 -22.389 15.718 0.932 1.00 0.00 WT7 H ATOM 55098 H2 TIP3 930 -10.004 -1.293 -7.748 1.00 0.00 WT7 H ATOM 55099 OH2 TIP3 933 1.692 -3.143 0.120 1.00 0.00 WT7 O ATOM 55100 H1 TIP3 933 -1.470 -3.141 -12.975 1.00 0.00 WT7 H ATOM 55101 H2 TIP3 933 -6.287 -6.356 -20.341 1.00 0.00 WT7 H ATOM 55102 OH2 TIP3 936 -2.344 -1.929 -3.365 1.00 0.00 WT7 O ATOM 55103 H1 TIP3 936 -30.176 20.392 27.115 1.00 0.00 WT7 H ATOM 55104 H2 TIP3 936 2.740 -8.793 -14.032 1.00 0.00 WT7 H ATOM 55105 OH2 TIP3 940 -3.407 -2.787 -2.548 1.00 0.00 WT7 O ATOM 55106 H1 TIP3 940 -9.128 26.626 -14.643 1.00 0.00 WT7 H ATOM 55107 H2 TIP3 940 -4.738 18.261 -4.126 1.00 0.00 WT7 H ATOM 55108 OH2 TIP3 944 9.324 -3.855 6.917 1.00 0.00 WT7 O ATOM 55109 H1 TIP3 944 6.170 6.261 -3.500 1.00 0.00 WT7 H ATOM 55110 H2 TIP3 944 6.858 6.952 16.174 1.00 0.00 WT7 H ATOM 55111 OH2 TIP3 954 2.652 2.285 -1.791 1.00 0.00 WT7 O ATOM 55112 H1 TIP3 954 7.534 0.478 -6.244 1.00 0.00 WT7 H ATOM 55113 H2 TIP3 954 31.966 14.876 6.626 1.00 0.00 WT7 H ATOM 55114 OH2 TIP3 958 -5.030 -0.010 -5.085 1.00 0.00 WT7 O ATOM 55115 H1 TIP3 958 -5.155 0.225 -5.376 1.00 0.00 WT7 H ATOM 55116 H2 TIP3 958 -9.436 2.173 -3.757 1.00 0.00 WT7 H ATOM 55117 OH2 TIP3 960 -6.913 -0.716 -10.960 1.00 0.00 WT7 O ATOM 55118 H1 TIP3 960 -3.152 12.993 16.048 1.00 0.00 WT7 H ATOM 55119 H2 TIP3 960 -9.948 -5.534 -17.985 1.00 0.00 WT7 H ATOM 55120 OH2 TIP3 978 -1.568 0.045 -1.960 1.00 0.00 WT7 O ATOM 55121 H1 TIP3 978 2.658 12.596 3.542 1.00 0.00 WT7 H ATOM 55122 H2 TIP3 978 10.125 -4.583 -17.323 1.00 0.00 WT7 H ATOM 55123 OH2 TIP3 981 -1.146 -4.077 0.737 1.00 0.00 WT7 O ATOM 55124 H1 TIP3 981 -8.596 -12.471 7.571 1.00 0.00 WT7 H ATOM 55125 H2 TIP3 981 2.283 15.191 -17.695 1.00 0.00 WT7 H ATOM 55126 OH2 TIP3 982 -1.500 -8.016 -3.159 1.00 0.00 WT7 O ATOM 55127 H1 TIP3 982 -4.992 -4.103 -20.476 1.00 0.00 WT7 H ATOM 55128 H2 TIP3 982 -8.937 -19.356 -1.225 1.00 0.00 WT7 H ATOM 55129 OH2 TIP3 983 2.115 5.168 -2.812 1.00 0.00 WT7 O ATOM 55130 H1 TIP3 983 -0.667 9.163 1.750 1.00 0.00 WT7 H ATOM 55131 H2 TIP3 983 10.030 -29.768 -2.741 1.00 0.00 WT7 H ATOM 55132 OH2 TIP3 986 -0.762 -2.809 -2.016 1.00 0.00 WT7 O ATOM 55133 H1 TIP3 986 0.278 -6.373 -12.872 1.00 0.00 WT7 H ATOM 55134 H2 TIP3 986 37.140 -4.660 -17.836 1.00 0.00 WT7 H ATOM 55135 OH2 TIP3 993 3.578 -0.330 -3.245 1.00 0.00 WT7 O ATOM 55136 H1 TIP3 993 -8.976 13.002 -3.134 1.00 0.00 WT7 H ATOM 55137 H2 TIP3 993 7.248 3.614 -25.963 1.00 0.00 WT7 H ATOM 55138 OH2 TIP3 999 -0.038 2.314 -0.272 1.00 0.00 WT7 O ATOM 55139 H1 TIP3 999 13.113 -7.010 -8.379 1.00 0.00 WT7 H ATOM 55140 H2 TIP3 999 -8.012 -2.836 -4.424 1.00 0.00 WT7 H ATOM 55141 OH2 TIP3 1013 -1.369 7.712 1.142 1.00 0.00 WT7 O ATOM 55142 H1 TIP3 1013 18.717 -1.004 12.150 1.00 0.00 WT7 H ATOM 55143 H2 TIP3 1013 -27.052 -11.091 -3.566 1.00 0.00 WT7 H ATOM 55144 OH2 TIP3 1018 -0.053 2.373 9.322 1.00 0.00 WT7 O ATOM 55145 H1 TIP3 1018 -40.543 1.077 18.410 1.00 0.00 WT7 H ATOM 55146 H2 TIP3 1018 -2.819 6.840 17.682 1.00 0.00 WT7 H ATOM 55147 OH2 TIP3 1019 -3.307 0.516 -0.693 1.00 0.00 WT7 O ATOM 55148 H1 TIP3 1019 2.402 -0.606 20.411 1.00 0.00 WT7 H ATOM 55149 H2 TIP3 1019 -9.093 -8.154 9.447 1.00 0.00 WT7 H ATOM 55150 OH2 TIP3 1024 1.469 2.683 3.753 1.00 0.00 WT7 O ATOM 55151 H1 TIP3 1024 -0.708 17.384 -5.126 1.00 0.00 WT7 H ATOM 55152 H2 TIP3 1024 3.304 -3.194 20.067 1.00 0.00 WT7 H ATOM 55153 OH2 TIP3 1025 -5.357 -4.975 -6.480 1.00 0.00 WT7 O ATOM 55154 H1 TIP3 1025 -12.753 13.538 -2.825 1.00 0.00 WT7 H ATOM 55155 H2 TIP3 1025 -1.569 9.052 1.922 1.00 0.00 WT7 H ATOM 55156 OH2 TIP3 1043 -1.356 2.792 0.019 1.00 0.00 WT7 O ATOM 55157 H1 TIP3 1043 -1.367 1.707 7.206 1.00 0.00 WT7 H ATOM 55158 H2 TIP3 1043 -5.636 8.078 -1.303 1.00 0.00 WT7 H ATOM 55159 OH2 TIP3 1048 0.968 -3.689 -1.190 1.00 0.00 WT7 O ATOM 55160 H1 TIP3 1048 -10.342 -11.997 -0.618 1.00 0.00 WT7 H ATOM 55161 H2 TIP3 1048 13.789 9.417 6.293 1.00 0.00 WT7 H ATOM 55162 OH2 TIP3 1052 -1.287 0.597 -0.855 1.00 0.00 WT7 O ATOM 55163 H1 TIP3 1052 0.709 -0.435 -14.008 1.00 0.00 WT7 H ATOM 55164 H2 TIP3 1052 -22.563 -10.470 -21.723 1.00 0.00 WT7 H ATOM 55165 OH2 TIP3 1061 0.735 -0.614 1.980 1.00 0.00 WT7 O ATOM 55166 H1 TIP3 1061 11.482 0.670 1.496 1.00 0.00 WT7 H ATOM 55167 H2 TIP3 1061 29.917 15.909 -5.247 1.00 0.00 WT7 H ATOM 55168 OH2 TIP3 1071 3.105 9.754 -5.107 1.00 0.00 WT7 O ATOM 55169 H1 TIP3 1071 0.514 15.795 -9.412 1.00 0.00 WT7 H ATOM 55170 H2 TIP3 1071 29.681 15.797 -20.493 1.00 0.00 WT7 H ATOM 55171 OH2 TIP3 1076 -3.409 8.531 -7.607 1.00 0.00 WT7 O ATOM 55172 H1 TIP3 1076 -7.261 1.804 -8.572 1.00 0.00 WT7 H ATOM 55173 H2 TIP3 1076 -3.438 9.127 2.294 1.00 0.00 WT7 H ATOM 55174 OH2 TIP3 1098 2.417 2.662 1.416 1.00 0.00 WT7 O ATOM 55175 H1 TIP3 1098 2.857 -13.111 -5.686 1.00 0.00 WT7 H ATOM 55176 H2 TIP3 1098 5.102 -3.679 2.250 1.00 0.00 WT7 H ATOM 55177 OH2 TIP3 1122 -1.639 -2.309 0.923 1.00 0.00 WT7 O ATOM 55178 H1 TIP3 1122 -1.054 11.553 -3.598 1.00 0.00 WT7 H ATOM 55179 H2 TIP3 1122 0.125 0.787 -2.478 1.00 0.00 WT7 H ATOM 55180 OH2 TIP3 1138 4.837 -7.458 -5.060 1.00 0.00 WT7 O ATOM 55181 H1 TIP3 1138 -16.775 3.261 4.487 1.00 0.00 WT7 H ATOM 55182 H2 TIP3 1138 19.302 7.166 -22.041 1.00 0.00 WT7 H ATOM 55183 OH2 TIP3 1253 0.512 -5.985 1.455 1.00 0.00 WT7 O ATOM 55184 H1 TIP3 1253 -4.298 -13.103 9.706 1.00 0.00 WT7 H ATOM 55185 H2 TIP3 1253 16.983 -17.152 4.165 1.00 0.00 WT7 H ATOM 55186 OH2 TIP3 1298 0.849 1.115 2.010 1.00 0.00 WT7 O ATOM 55187 H1 TIP3 1298 7.616 -7.324 1.072 1.00 0.00 WT7 H ATOM 55188 H2 TIP3 1298 2.844 -6.913 9.431 1.00 0.00 WT7 H ATOM 55189 OH2 TIP3 1301 4.856 3.194 4.477 1.00 0.00 WT7 O ATOM 55190 H1 TIP3 1301 14.492 -4.854 1.918 1.00 0.00 WT7 H ATOM 55191 H2 TIP3 1301 -4.007 7.030 -10.080 1.00 0.00 WT7 H ATOM 55192 OH2 TIP3 1354 -8.937 1.387 5.211 1.00 0.00 WT7 O ATOM 55193 H1 TIP3 1354 -9.559 8.626 4.780 1.00 0.00 WT7 H ATOM 55194 H2 TIP3 1354 -0.922 1.553 -3.041 1.00 0.00 WT7 H ATOM 55195 OH2 TIP3 1370 8.315 4.651 1.243 1.00 0.00 WT7 O ATOM 55196 H1 TIP3 1370 0.174 4.128 -1.092 1.00 0.00 WT7 H ATOM 55197 H2 TIP3 1370 -4.346 -8.385 -19.328 1.00 0.00 WT7 H ATOM 55198 OH2 TIP3 1381 3.083 -1.802 4.960 1.00 0.00 WT7 O ATOM 55199 H1 TIP3 1381 -1.931 -1.893 2.563 1.00 0.00 WT7 H ATOM 55200 H2 TIP3 1381 3.780 -6.667 1.225 1.00 0.00 WT7 H ATOM 55201 OH2 TIP3 1382 -6.898 2.317 -0.408 1.00 0.00 WT7 O ATOM 55202 H1 TIP3 1382 -9.155 -10.376 -1.658 1.00 0.00 WT7 H ATOM 55203 H2 TIP3 1382 -6.619 14.512 -2.740 1.00 0.00 WT7 H ATOM 55204 OH2 TIP3 1383 -2.330 5.137 1.611 1.00 0.00 WT7 O ATOM 55205 H1 TIP3 1383 -17.595 17.697 -3.180 1.00 0.00 WT7 H ATOM 55206 H2 TIP3 1383 3.000 -5.671 -3.248 1.00 0.00 WT7 H ATOM 55207 OH2 TIP3 1387 2.075 -0.744 -2.555 1.00 0.00 WT7 O ATOM 55208 H1 TIP3 1387 -14.613 -12.115 19.387 1.00 0.00 WT7 H ATOM 55209 H2 TIP3 1387 8.356 1.318 1.537 1.00 0.00 WT7 H ATOM 55210 OH2 TIP3 1395 1.709 6.544 -1.368 1.00 0.00 WT7 O ATOM 55211 H1 TIP3 1395 -3.778 -12.699 22.280 1.00 0.00 WT7 H ATOM 55212 H2 TIP3 1395 -12.939 25.689 -2.360 1.00 0.00 WT7 H ATOM 55213 OH2 TIP3 1399 -5.588 -4.127 -1.893 1.00 0.00 WT7 O ATOM 55214 H1 TIP3 1399 7.440 12.152 -16.619 1.00 0.00 WT7 H ATOM 55215 H2 TIP3 1399 -10.324 9.539 -23.422 1.00 0.00 WT7 H ATOM 55216 OH2 TIP3 1401 -0.954 5.866 4.444 1.00 0.00 WT7 O ATOM 55217 H1 TIP3 1401 -4.368 -12.779 -16.178 1.00 0.00 WT7 H ATOM 55218 H2 TIP3 1401 -7.240 18.822 -2.008 1.00 0.00 WT7 H ATOM 55219 OH2 TIP3 1408 -3.888 1.011 -1.998 1.00 0.00 WT7 O ATOM 55220 H1 TIP3 1408 0.870 -2.221 8.536 1.00 0.00 WT7 H ATOM 55221 H2 TIP3 1408 1.369 -4.494 4.491 1.00 0.00 WT7 H ATOM 55222 OH2 TIP3 1409 6.619 -6.689 6.064 1.00 0.00 WT7 O ATOM 55223 H1 TIP3 1409 20.326 -17.311 6.797 1.00 0.00 WT7 H ATOM 55224 H2 TIP3 1409 -3.540 0.148 14.626 1.00 0.00 WT7 H ATOM 55225 OH2 TIP3 1414 -2.126 -5.368 -4.107 1.00 0.00 WT7 O ATOM 55226 H1 TIP3 1414 -20.818 -10.608 -0.365 1.00 0.00 WT7 H ATOM 55227 H2 TIP3 1414 10.083 -9.655 2.524 1.00 0.00 WT7 H ATOM 55228 OH2 TIP3 1429 1.872 3.226 4.984 1.00 0.00 WT7 O ATOM 55229 H1 TIP3 1429 13.286 -7.290 1.201 1.00 0.00 WT7 H ATOM 55230 H2 TIP3 1429 1.410 6.703 6.213 1.00 0.00 WT7 H ATOM 55231 OH2 TIP3 1433 4.700 -0.208 -0.865 1.00 0.00 WT7 O ATOM 55232 H1 TIP3 1433 4.285 -0.287 1.790 1.00 0.00 WT7 H ATOM 55233 H2 TIP3 1433 7.305 -0.866 -0.290 1.00 0.00 WT7 H ATOM 55234 OH2 TIP3 1436 4.507 2.051 -1.103 1.00 0.00 WT7 O ATOM 55235 H1 TIP3 1436 9.662 -11.523 18.302 1.00 0.00 WT7 H ATOM 55236 H2 TIP3 1436 -5.283 -20.954 15.180 1.00 0.00 WT7 H ATOM 55237 OH2 TIP3 1440 -2.199 -2.215 5.266 1.00 0.00 WT7 O ATOM 55238 H1 TIP3 1440 -0.543 1.796 2.331 1.00 0.00 WT7 H ATOM 55239 H2 TIP3 1440 -3.779 -1.585 -4.313 1.00 0.00 WT7 H ATOM 55240 OH2 TIP3 1445 -0.657 6.686 6.875 1.00 0.00 WT7 O ATOM 55241 H1 TIP3 1445 15.406 26.879 11.325 1.00 0.00 WT7 H ATOM 55242 H2 TIP3 1445 -17.493 14.202 -11.006 1.00 0.00 WT7 H ATOM 55243 OH2 TIP3 1451 -1.174 -4.691 0.786 1.00 0.00 WT7 O ATOM 55244 H1 TIP3 1451 -9.359 23.845 18.507 1.00 0.00 WT7 H ATOM 55245 H2 TIP3 1451 -14.436 -23.264 -13.214 1.00 0.00 WT7 H ATOM 55246 OH2 TIP3 1459 -3.759 -0.752 -0.754 1.00 0.00 WT7 O ATOM 55247 H1 TIP3 1459 -9.859 -3.570 -1.192 1.00 0.00 WT7 H ATOM 55248 H2 TIP3 1459 -11.758 -4.288 8.679 1.00 0.00 WT7 H ATOM 55249 OH2 TIP3 1476 -6.822 1.434 3.386 1.00 0.00 WT7 O ATOM 55250 H1 TIP3 1476 -7.122 -12.301 49.543 1.00 0.00 WT7 H ATOM 55251 H2 TIP3 1476 -18.557 38.975 -8.614 1.00 0.00 WT7 H ATOM 55252 OH2 TIP3 1480 1.466 -11.530 -1.099 1.00 0.00 WT7 O ATOM 55253 H1 TIP3 1480 -1.626 -14.291 0.045 1.00 0.00 WT7 H ATOM 55254 H2 TIP3 1480 -4.076 11.376 -13.323 1.00 0.00 WT7 H ATOM 55255 OH2 TIP3 1486 1.095 -2.417 4.799 1.00 0.00 WT7 O ATOM 55256 H1 TIP3 1486 -4.013 -10.826 2.446 1.00 0.00 WT7 H ATOM 55257 H2 TIP3 1486 -1.270 11.651 9.629 1.00 0.00 WT7 H ATOM 55258 OH2 TIP3 1509 2.288 0.852 -1.656 1.00 0.00 WT7 O ATOM 55259 H1 TIP3 1509 1.052 -12.921 0.683 1.00 0.00 WT7 H ATOM 55260 H2 TIP3 1509 13.297 7.433 -23.590 1.00 0.00 WT7 H ATOM 55261 OH2 TIP3 1518 -0.599 6.970 -3.949 1.00 0.00 WT7 O ATOM 55262 H1 TIP3 1518 4.175 9.757 0.343 1.00 0.00 WT7 H ATOM 55263 H2 TIP3 1518 2.009 -9.683 -7.380 1.00 0.00 WT7 H ATOM 55264 OH2 TIP3 1524 -0.305 -4.928 2.568 1.00 0.00 WT7 O ATOM 55265 H1 TIP3 1524 9.074 -10.818 0.232 1.00 0.00 WT7 H ATOM 55266 H2 TIP3 1524 5.670 9.307 0.666 1.00 0.00 WT7 H ATOM 55267 OH2 TIP3 1573 -9.459 4.215 -1.912 1.00 0.00 WT7 O ATOM 55268 H1 TIP3 1573 7.099 -5.401 -8.909 1.00 0.00 WT7 H ATOM 55269 H2 TIP3 1573 13.411 -7.021 -10.662 1.00 0.00 WT7 H ATOM 55270 OH2 TIP3 1592 3.286 -1.123 -2.401 1.00 0.00 WT7 O ATOM 55271 H1 TIP3 1592 7.002 -9.207 -13.287 1.00 0.00 WT7 H ATOM 55272 H2 TIP3 1592 8.717 -17.939 0.853 1.00 0.00 WT7 H ATOM 55273 OH2 TIP3 1618 -1.324 6.492 -2.033 1.00 0.00 WT7 O ATOM 55274 H1 TIP3 1618 -1.024 4.417 -27.706 1.00 0.00 WT7 H ATOM 55275 H2 TIP3 1618 5.289 18.432 4.424 1.00 0.00 WT7 H ATOM 55276 OH2 TIP3 1725 -0.888 4.211 -0.789 1.00 0.00 WT7 O ATOM 55277 H1 TIP3 1725 4.281 9.738 5.560 1.00 0.00 WT7 H ATOM 55278 H2 TIP3 1725 -19.984 -8.536 -19.291 1.00 0.00 WT7 H ATOM 55279 OH2 TIP3 1733 7.138 4.848 -4.302 1.00 0.00 WT7 O ATOM 55280 H1 TIP3 1733 -9.672 -16.115 -19.239 1.00 0.00 WT7 H ATOM 55281 H2 TIP3 1733 6.302 10.174 -3.735 1.00 0.00 WT7 H ATOM 55282 OH2 TIP3 1771 -5.276 3.302 0.657 1.00 0.00 WT7 O ATOM 55283 H1 TIP3 1771 15.304 -1.632 2.254 1.00 0.00 WT7 H ATOM 55284 H2 TIP3 1771 -13.273 -0.942 19.715 1.00 0.00 WT7 H ATOM 55285 OH2 TIP3 1775 1.999 3.180 -5.355 1.00 0.00 WT7 O ATOM 55286 H1 TIP3 1775 4.026 8.331 -6.612 1.00 0.00 WT7 H ATOM 55287 H2 TIP3 1775 -2.017 -5.372 0.303 1.00 0.00 WT7 H ATOM 55288 OH2 TIP3 1778 -3.927 -0.415 -4.855 1.00 0.00 WT7 O ATOM 55289 H1 TIP3 1778 -13.250 1.837 -3.141 1.00 0.00 WT7 H ATOM 55290 H2 TIP3 1778 -17.681 10.076 0.156 1.00 0.00 WT7 H ATOM 55291 OH2 TIP3 1779 10.706 -0.734 1.310 1.00 0.00 WT7 O ATOM 55292 H1 TIP3 1779 -2.354 27.558 -5.553 1.00 0.00 WT7 H ATOM 55293 H2 TIP3 1779 -3.702 -11.645 -13.795 1.00 0.00 WT7 H ATOM 55294 OH2 TIP3 1812 1.080 2.136 -7.107 1.00 0.00 WT7 O ATOM 55295 H1 TIP3 1812 -6.240 -14.193 3.337 1.00 0.00 WT7 H ATOM 55296 H2 TIP3 1812 -4.564 -9.963 2.026 1.00 0.00 WT7 H ATOM 55297 OH2 TIP3 1849 0.633 0.590 5.700 1.00 0.00 WT7 O ATOM 55298 H1 TIP3 1849 -4.307 -15.771 15.071 1.00 0.00 WT7 H ATOM 55299 H2 TIP3 1849 13.989 2.148 -12.215 1.00 0.00 WT7 H ATOM 55300 OH2 TIP3 1853 0.447 1.747 1.883 1.00 0.00 WT7 O ATOM 55301 H1 TIP3 1853 2.781 13.540 4.997 1.00 0.00 WT7 H ATOM 55302 H2 TIP3 1853 -10.917 -5.519 15.465 1.00 0.00 WT7 H ATOM 55303 OH2 TIP3 1858 5.570 3.798 -1.595 1.00 0.00 WT7 O ATOM 55304 H1 TIP3 1858 -5.679 18.892 10.367 1.00 0.00 WT7 H ATOM 55305 H2 TIP3 1858 -21.566 -8.168 -18.164 1.00 0.00 WT7 H ATOM 55306 OH2 TIP3 1859 -5.281 -1.780 -0.137 1.00 0.00 WT7 O ATOM 55307 H1 TIP3 1859 -7.802 -14.044 4.518 1.00 0.00 WT7 H ATOM 55308 H2 TIP3 1859 2.189 13.061 -19.804 1.00 0.00 WT7 H ATOM 55309 OH2 TIP3 1864 3.248 2.210 4.236 1.00 0.00 WT7 O ATOM 55310 H1 TIP3 1864 0.581 -13.255 -2.968 1.00 0.00 WT7 H ATOM 55311 H2 TIP3 1864 -0.905 -10.726 3.250 1.00 0.00 WT7 H ATOM 55312 OH2 TIP3 1879 -5.125 -1.991 -1.337 1.00 0.00 WT7 O ATOM 55313 H1 TIP3 1879 -5.171 -15.671 6.048 1.00 0.00 WT7 H ATOM 55314 H2 TIP3 1879 -11.957 -8.444 -9.089 1.00 0.00 WT7 H ATOM 55315 OH2 TIP3 1880 0.845 -1.255 -1.205 1.00 0.00 WT7 O ATOM 55316 H1 TIP3 1880 -7.334 -1.603 5.425 1.00 0.00 WT7 H ATOM 55317 H2 TIP3 1880 -13.427 8.219 -20.793 1.00 0.00 WT7 H ATOM 55318 OH2 TIP3 1882 -5.688 -5.142 7.461 1.00 0.00 WT7 O ATOM 55319 H1 TIP3 1882 -11.157 -2.759 11.995 1.00 0.00 WT7 H ATOM 55320 H2 TIP3 1882 -9.022 -9.406 27.032 1.00 0.00 WT7 H ATOM 55321 OH2 TIP3 1897 -6.595 -0.249 0.830 1.00 0.00 WT7 O ATOM 55322 H1 TIP3 1897 23.440 -17.048 11.279 1.00 0.00 WT7 H ATOM 55323 H2 TIP3 1897 -15.740 -3.298 7.708 1.00 0.00 WT7 H ATOM 55324 OH2 TIP3 1898 1.752 10.017 -2.855 1.00 0.00 WT7 O ATOM 55325 H1 TIP3 1898 0.743 -5.183 -10.070 1.00 0.00 WT7 H ATOM 55326 H2 TIP3 1898 3.624 -18.056 9.514 1.00 0.00 WT7 H ATOM 55327 OH2 TIP3 1925 -2.276 -1.398 -2.136 1.00 0.00 WT7 O ATOM 55328 H1 TIP3 1925 -0.898 -13.838 -0.410 1.00 0.00 WT7 H ATOM 55329 H2 TIP3 1925 6.253 1.287 -5.030 1.00 0.00 WT7 H ATOM 55330 OH2 TIP3 1949 3.841 4.041 0.324 1.00 0.00 WT7 O ATOM 55331 H1 TIP3 1949 13.462 6.225 22.594 1.00 0.00 WT7 H ATOM 55332 H2 TIP3 1949 19.237 10.459 11.825 1.00 0.00 WT7 H ATOM 55333 OH2 TIP3 1960 1.079 -3.952 -0.732 1.00 0.00 WT7 O ATOM 55334 H1 TIP3 1960 -4.407 1.076 -4.959 1.00 0.00 WT7 H ATOM 55335 H2 TIP3 1960 5.914 3.156 8.161 1.00 0.00 WT7 H ATOM 55336 OH2 TIP3 1965 -8.577 -1.022 1.246 1.00 0.00 WT7 O ATOM 55337 H1 TIP3 1965 5.669 -8.862 -8.336 1.00 0.00 WT7 H ATOM 55338 H2 TIP3 1965 -19.999 4.675 -13.609 1.00 0.00 WT7 H ATOM 55339 OH2 TIP3 1994 2.555 -3.965 -1.740 1.00 0.00 WT7 O ATOM 55340 H1 TIP3 1994 -2.458 0.926 -5.509 1.00 0.00 WT7 H ATOM 55341 H2 TIP3 1994 0.809 9.132 -2.500 1.00 0.00 WT7 H ATOM 55342 OH2 TIP3 2127 1.193 -3.178 4.172 1.00 0.00 WT7 O ATOM 55343 H1 TIP3 2127 1.865 -15.391 7.603 1.00 0.00 WT7 H ATOM 55344 H2 TIP3 2127 12.184 -0.430 6.529 1.00 0.00 WT7 H ATOM 55345 OH2 TIP3 2231 3.391 -5.625 -4.784 1.00 0.00 WT7 O ATOM 55346 H1 TIP3 2231 13.896 6.786 -9.994 1.00 0.00 WT7 H ATOM 55347 H2 TIP3 2231 -2.449 -10.707 8.590 1.00 0.00 WT7 H ATOM 55348 OH2 TIP3 2236 -7.002 1.671 2.003 1.00 0.00 WT7 O ATOM 55349 H1 TIP3 2236 -14.213 17.438 1.594 1.00 0.00 WT7 H ATOM 55350 H2 TIP3 2236 -39.607 -2.527 -3.014 1.00 0.00 WT7 H ATOM 55351 OH2 TIP3 2268 8.161 0.008 0.184 1.00 0.00 WT7 O ATOM 55352 H1 TIP3 2268 4.067 0.527 2.168 1.00 0.00 WT7 H ATOM 55353 H2 TIP3 2268 12.587 30.618 -7.231 1.00 0.00 WT7 H ATOM 55354 OH2 TIP3 2270 -10.102 -4.188 4.380 1.00 0.00 WT7 O ATOM 55355 H1 TIP3 2270 -13.304 -29.405 5.505 1.00 0.00 WT7 H ATOM 55356 H2 TIP3 2270 12.280 6.610 0.618 1.00 0.00 WT7 H ATOM 55357 OH2 TIP3 2282 -6.399 2.223 4.950 1.00 0.00 WT7 O ATOM 55358 H1 TIP3 2282 -1.125 -12.164 8.095 1.00 0.00 WT7 H ATOM 55359 H2 TIP3 2282 16.529 -1.878 26.524 1.00 0.00 WT7 H ATOM 55360 OH2 TIP3 2288 -1.125 -3.577 -3.097 1.00 0.00 WT7 O ATOM 55361 H1 TIP3 2288 -13.216 -16.585 10.598 1.00 0.00 WT7 H ATOM 55362 H2 TIP3 2288 -4.534 -12.514 2.419 1.00 0.00 WT7 H ATOM 55363 OH2 TIP3 2293 -9.601 3.469 5.719 1.00 0.00 WT7 O ATOM 55364 H1 TIP3 2293 -19.994 -2.749 6.477 1.00 0.00 WT7 H ATOM 55365 H2 TIP3 2293 -1.461 9.562 4.493 1.00 0.00 WT7 H ATOM 55366 OH2 TIP3 2317 -2.538 -2.395 1.511 1.00 0.00 WT7 O ATOM 55367 H1 TIP3 2317 11.232 -0.074 -0.538 1.00 0.00 WT7 H ATOM 55368 H2 TIP3 2317 1.599 0.214 10.203 1.00 0.00 WT7 H ATOM 55369 OH2 TIP3 2324 2.259 0.836 -2.004 1.00 0.00 WT7 O ATOM 55370 H1 TIP3 2324 6.773 4.322 -1.965 1.00 0.00 WT7 H ATOM 55371 H2 TIP3 2324 3.977 4.576 4.179 1.00 0.00 WT7 H ATOM 55372 OH2 TIP3 2327 0.845 -2.205 -3.498 1.00 0.00 WT7 O ATOM 55373 H1 TIP3 2327 4.013 -8.791 -7.419 1.00 0.00 WT7 H ATOM 55374 H2 TIP3 2327 12.593 -2.104 0.003 1.00 0.00 WT7 H ATOM 55375 OH2 TIP3 2357 -4.619 -0.071 0.249 1.00 0.00 WT7 O ATOM 55376 H1 TIP3 2357 7.904 5.788 -8.161 1.00 0.00 WT7 H ATOM 55377 H2 TIP3 2357 0.094 23.205 8.618 1.00 0.00 WT7 H ATOM 55378 OH2 TIP3 2358 1.094 2.651 1.105 1.00 0.00 WT7 O ATOM 55379 H1 TIP3 2358 -16.622 -23.861 -11.731 1.00 0.00 WT7 H ATOM 55380 H2 TIP3 2358 21.347 25.480 11.281 1.00 0.00 WT7 H ATOM 55381 OH2 TIP3 2408 -5.455 -4.757 -5.704 1.00 0.00 WT7 O ATOM 55382 H1 TIP3 2408 -5.663 -9.901 -4.576 1.00 0.00 WT7 H ATOM 55383 H2 TIP3 2408 1.397 -2.882 -4.769 1.00 0.00 WT7 H ATOM 55384 OH2 TIP3 2411 1.907 -3.869 4.666 1.00 0.00 WT7 O ATOM 55385 H1 TIP3 2411 -1.260 -7.867 0.107 1.00 0.00 WT7 H ATOM 55386 H2 TIP3 2411 2.764 -3.691 13.918 1.00 0.00 WT7 H ATOM 55387 OH2 TIP3 2629 6.651 -4.113 4.300 1.00 0.00 WT7 O ATOM 55388 H1 TIP3 2629 2.560 7.918 -15.414 1.00 0.00 WT7 H ATOM 55389 H2 TIP3 2629 15.021 -6.341 -0.636 1.00 0.00 WT7 H ATOM 55390 OH2 TIP3 2644 6.442 4.449 -0.225 1.00 0.00 WT7 O ATOM 55391 H1 TIP3 2644 4.443 -3.932 0.653 1.00 0.00 WT7 H ATOM 55392 H2 TIP3 2644 20.477 4.198 -11.221 1.00 0.00 WT7 H ATOM 55393 OH2 TIP3 2705 -3.123 -1.954 0.863 1.00 0.00 WT7 O ATOM 55394 H1 TIP3 2705 -18.524 9.096 9.486 1.00 0.00 WT7 H ATOM 55395 H2 TIP3 2705 -14.672 1.145 6.133 1.00 0.00 WT7 H ATOM 55396 OH2 TIP3 2714 2.240 1.061 8.130 1.00 0.00 WT7 O ATOM 55397 H1 TIP3 2714 -1.074 -0.309 9.421 1.00 0.00 WT7 H ATOM 55398 H2 TIP3 2714 -10.087 -3.720 10.691 1.00 0.00 WT7 H ATOM 55399 OH2 TIP3 2759 -1.405 0.362 0.184 1.00 0.00 WT7 O ATOM 55400 H1 TIP3 2759 0.667 -2.627 -3.131 1.00 0.00 WT7 H ATOM 55401 H2 TIP3 2759 -4.631 -1.059 21.969 1.00 0.00 WT7 H ATOM 55402 OH2 TIP3 2780 -1.487 -1.166 -4.764 1.00 0.00 WT7 O ATOM 55403 H1 TIP3 2780 -2.656 17.942 1.047 1.00 0.00 WT7 H ATOM 55404 H2 TIP3 2780 -14.302 10.948 -13.807 1.00 0.00 WT7 H ATOM 55405 OH2 TIP3 2855 2.936 -2.335 -6.552 1.00 0.00 WT7 O ATOM 55406 H1 TIP3 2855 6.152 -20.266 -14.905 1.00 0.00 WT7 H ATOM 55407 H2 TIP3 2855 1.801 -7.061 -13.140 1.00 0.00 WT7 H ATOM 55408 OH2 TIP3 2872 2.939 7.435 3.012 1.00 0.00 WT7 O ATOM 55409 H1 TIP3 2872 -2.209 10.532 2.031 1.00 0.00 WT7 H ATOM 55410 H2 TIP3 2872 4.956 -5.718 0.560 1.00 0.00 WT7 H ATOM 55411 OH2 TIP3 2895 -1.566 -1.468 5.381 1.00 0.00 WT7 O ATOM 55412 H1 TIP3 2895 -8.700 2.715 10.696 1.00 0.00 WT7 H ATOM 55413 H2 TIP3 2895 1.464 -7.360 9.005 1.00 0.00 WT7 H ATOM 55414 OH2 TIP3 3287 5.122 -2.660 -1.050 1.00 0.00 WT7 O ATOM 55415 H1 TIP3 3287 9.720 1.359 -2.546 1.00 0.00 WT7 H ATOM 55416 H2 TIP3 3287 -25.862 -19.164 2.541 1.00 0.00 WT7 H ATOM 55417 OH2 TIP3 3294 -2.042 2.465 -2.561 1.00 0.00 WT7 O ATOM 55418 H1 TIP3 3294 13.056 -3.023 -1.202 1.00 0.00 WT7 H ATOM 55419 H2 TIP3 3294 -5.013 -1.831 -6.535 1.00 0.00 WT7 H ATOM 55420 OH2 TIP3 3521 -0.172 5.933 -0.229 1.00 0.00 WT7 O ATOM 55421 H1 TIP3 3521 15.526 0.303 -1.562 1.00 0.00 WT7 H ATOM 55422 H2 TIP3 3521 6.996 3.109 -5.675 1.00 0.00 WT7 H ATOM 55423 OH2 TIP3 3665 -1.311 -6.756 -2.575 1.00 0.00 WT7 O ATOM 55424 H1 TIP3 3665 1.384 25.711 13.501 1.00 0.00 WT7 H ATOM 55425 H2 TIP3 3665 -0.265 9.592 5.377 1.00 0.00 WT7 H ATOM 55426 OH2 TIP3 5421 0.227 9.287 1.565 1.00 0.00 WT7 O ATOM 55427 H1 TIP3 5421 -22.907 21.784 6.707 1.00 0.00 WT7 H ATOM 55428 H2 TIP3 5421 -3.072 9.903 1.917 1.00 0.00 WT7 H ATOM 55429 OH2 TIP3 6240 -3.315 1.742 3.262 1.00 0.00 WT7 O ATOM 55430 H1 TIP3 6240 -2.706 15.880 5.170 1.00 0.00 WT7 H ATOM 55431 H2 TIP3 6240 14.578 25.329 9.211 1.00 0.00 WT7 H ATOM 55432 OH2 TIP3 6350 1.926 1.142 -0.534 1.00 0.00 WT7 O ATOM 55433 H1 TIP3 6350 -3.836 -6.560 2.607 1.00 0.00 WT7 H ATOM 55434 H2 TIP3 6350 8.634 -10.482 -3.689 1.00 0.00 WT7 H ATOM 55435 OH2 TIP3 6628 1.832 2.312 -5.738 1.00 0.00 WT7 O ATOM 55436 H1 TIP3 6628 19.948 3.773 18.790 1.00 0.00 WT7 H ATOM 55437 H2 TIP3 6628 10.441 10.233 -12.035 1.00 0.00 WT7 H ATOM 55438 OH2 TIP3 6650 -3.707 -6.885 4.393 1.00 0.00 WT7 O ATOM 55439 H1 TIP3 6650 -2.500 -15.708 0.955 1.00 0.00 WT7 H ATOM 55440 H2 TIP3 6650 6.642 -3.244 10.919 1.00 0.00 WT7 H ATOM 55441 OH2 TIP3 6671 1.048 -3.564 1.212 1.00 0.00 WT7 O ATOM 55442 H1 TIP3 6671 -13.225 1.694 -3.165 1.00 0.00 WT7 H ATOM 55443 H2 TIP3 6671 2.831 7.183 7.423 1.00 0.00 WT7 H ATOM 55444 OH2 TIP3 6751 0.702 1.536 3.097 1.00 0.00 WT7 O ATOM 55445 H1 TIP3 6751 9.809 11.070 14.168 1.00 0.00 WT7 H ATOM 55446 H2 TIP3 6751 -12.946 -20.488 -20.002 1.00 0.00 WT7 H ATOM 55447 OH2 TIP3 6773 1.852 7.325 -5.532 1.00 0.00 WT7 O ATOM 55448 H1 TIP3 6773 -36.815 23.765 -29.020 1.00 0.00 WT7 H ATOM 55449 H2 TIP3 6773 0.220 7.993 -5.978 1.00 0.00 WT7 H ATOM 55450 OH2 TIP3 7027 -0.382 3.769 5.040 1.00 0.00 WT7 O ATOM 55451 H1 TIP3 7027 22.320 10.341 -12.435 1.00 0.00 WT7 H ATOM 55452 H2 TIP3 7027 -2.286 10.939 24.305 1.00 0.00 WT7 H ATOM 55453 OH2 TIP3 7114 1.448 -2.684 -2.850 1.00 0.00 WT7 O ATOM 55454 H1 TIP3 7114 14.039 -12.716 -27.550 1.00 0.00 WT7 H ATOM 55455 H2 TIP3 7114 5.720 -4.733 -10.233 1.00 0.00 WT7 H ATOM 55456 OH2 TIP3 7133 2.474 4.546 2.872 1.00 0.00 WT7 O ATOM 55457 H1 TIP3 7133 7.082 14.282 20.603 1.00 0.00 WT7 H ATOM 55458 H2 TIP3 7133 -7.823 27.270 -13.259 1.00 0.00 WT7 H ATOM 55459 OH2 TIP3 7165 -1.299 0.531 -1.765 1.00 0.00 WT7 O ATOM 55460 H1 TIP3 7165 -28.445 14.525 11.831 1.00 0.00 WT7 H ATOM 55461 H2 TIP3 7165 -4.101 0.820 -1.110 1.00 0.00 WT7 H ATOM 55462 OH2 TIP3 7214 -2.003 -4.001 -4.652 1.00 0.00 WT7 O ATOM 55463 H1 TIP3 7214 1.595 -2.845 -0.627 1.00 0.00 WT7 H ATOM 55464 H2 TIP3 7214 18.056 7.999 20.090 1.00 0.00 WT7 H ATOM 55465 OH2 TIP3 7295 3.691 2.026 3.371 1.00 0.00 WT7 O ATOM 55466 H1 TIP3 7295 15.074 -15.313 -24.524 1.00 0.00 WT7 H ATOM 55467 H2 TIP3 7295 -20.377 -13.244 15.335 1.00 0.00 WT7 H ATOM 55468 OH2 TIP3 7532 7.868 -0.892 -4.676 1.00 0.00 WT7 O ATOM 55469 H1 TIP3 7532 -12.988 -18.752 -7.292 1.00 0.00 WT7 H ATOM 55470 H2 TIP3 7532 -11.941 -0.209 -0.670 1.00 0.00 WT7 H ATOM 55471 OH2 TIP3 7537 0.438 -0.821 0.074 1.00 0.00 WT7 O ATOM 55472 H1 TIP3 7537 0.926 -1.680 1.259 1.00 0.00 WT7 H ATOM 55473 H2 TIP3 7537 3.919 -6.956 2.994 1.00 0.00 WT7 H ATOM 55474 OH2 TIP3 7563 -5.364 1.957 2.251 1.00 0.00 WT7 O ATOM 55475 H1 TIP3 7563 -3.720 0.704 -12.110 1.00 0.00 WT7 H ATOM 55476 H2 TIP3 7563 -0.579 2.520 -30.665 1.00 0.00 WT7 H ATOM 55477 OH2 TIP3 7568 6.801 -2.022 2.449 1.00 0.00 WT7 O ATOM 55478 H1 TIP3 7568 -28.282 14.071 34.466 1.00 0.00 WT7 H ATOM 55479 H2 TIP3 7568 7.425 0.783 -8.767 1.00 0.00 WT7 H ATOM 55480 OH2 TIP3 7576 2.206 -5.450 -2.743 1.00 0.00 WT7 O ATOM 55481 H1 TIP3 7576 -9.560 12.568 -8.493 1.00 0.00 WT7 H ATOM 55482 H2 TIP3 7576 -2.723 17.011 -20.484 1.00 0.00 WT7 H ATOM 55483 OH2 TIP3 7583 -1.565 1.318 2.612 1.00 0.00 WT7 O ATOM 55484 H1 TIP3 7583 4.553 -0.499 -8.725 1.00 0.00 WT7 H ATOM 55485 H2 TIP3 7583 -7.797 -14.619 11.513 1.00 0.00 WT7 H ATOM 55486 OH2 TIP3 7592 -0.017 -1.395 -8.167 1.00 0.00 WT7 O ATOM 55487 H1 TIP3 7592 -5.382 -9.355 -14.818 1.00 0.00 WT7 H ATOM 55488 H2 TIP3 7592 1.284 -6.655 1.903 1.00 0.00 WT7 H ATOM 55489 OH2 TIP3 7607 3.087 2.233 -0.686 1.00 0.00 WT7 O ATOM 55490 H1 TIP3 7607 -6.478 -11.389 -2.193 1.00 0.00 WT7 H ATOM 55491 H2 TIP3 7607 9.834 -5.448 -1.696 1.00 0.00 WT7 H ATOM 55492 OH2 TIP3 7630 -5.015 -0.602 0.917 1.00 0.00 WT7 O ATOM 55493 H1 TIP3 7630 0.015 -0.995 6.504 1.00 0.00 WT7 H ATOM 55494 H2 TIP3 7630 -37.130 -14.571 -13.478 1.00 0.00 WT7 H ATOM 55495 OH2 TIP3 7631 2.308 -3.644 -4.142 1.00 0.00 WT7 O ATOM 55496 H1 TIP3 7631 4.412 -4.279 -7.793 1.00 0.00 WT7 H ATOM 55497 H2 TIP3 7631 7.042 5.424 -4.510 1.00 0.00 WT7 H ATOM 55498 OH2 TIP3 7634 -0.576 2.122 9.051 1.00 0.00 WT7 O ATOM 55499 H1 TIP3 7634 18.514 17.112 13.856 1.00 0.00 WT7 H ATOM 55500 H2 TIP3 7634 9.659 -20.486 5.820 1.00 0.00 WT7 H ATOM 55501 OH2 TIP3 7642 0.383 1.374 -0.156 1.00 0.00 WT7 O ATOM 55502 H1 TIP3 7642 4.994 12.596 12.883 1.00 0.00 WT7 H ATOM 55503 H2 TIP3 7642 9.063 -14.190 -24.937 1.00 0.00 WT7 H ATOM 55504 OH2 TIP3 7647 6.515 -5.674 1.573 1.00 0.00 WT7 O ATOM 55505 H1 TIP3 7647 6.221 -1.615 -6.842 1.00 0.00 WT7 H ATOM 55506 H2 TIP3 7647 -0.830 -1.000 -2.029 1.00 0.00 WT7 H ATOM 55507 OH2 TIP3 7650 0.098 5.826 2.216 1.00 0.00 WT7 O ATOM 55508 H1 TIP3 7650 -1.964 22.973 -25.503 1.00 0.00 WT7 H ATOM 55509 H2 TIP3 7650 -8.938 6.518 18.633 1.00 0.00 WT7 H ATOM 55510 OH2 TIP3 7661 -1.417 -2.581 0.458 1.00 0.00 WT7 O ATOM 55511 H1 TIP3 7661 1.456 -12.451 -0.996 1.00 0.00 WT7 H ATOM 55512 H2 TIP3 7661 -1.082 0.134 -9.283 1.00 0.00 WT7 H ATOM 55513 OH2 TIP3 7707 1.166 3.184 -5.132 1.00 0.00 WT7 O ATOM 55514 H1 TIP3 7707 -5.953 0.804 -7.538 1.00 0.00 WT7 H ATOM 55515 H2 TIP3 7707 -0.841 16.821 -11.817 1.00 0.00 WT7 H ATOM 55516 OH2 TIP3 7739 -4.349 2.519 -1.710 1.00 0.00 WT7 O ATOM 55517 H1 TIP3 7739 10.785 -7.111 -4.707 1.00 0.00 WT7 H ATOM 55518 H2 TIP3 7739 6.356 -3.888 -7.018 1.00 0.00 WT7 H ATOM 55519 OH2 TIP3 7876 5.031 1.573 4.646 1.00 0.00 WT7 O ATOM 55520 H1 TIP3 7876 -19.296 0.920 -5.939 1.00 0.00 WT7 H ATOM 55521 H2 TIP3 7876 -9.165 20.255 25.118 1.00 0.00 WT7 H ATOM 55522 OH2 TIP3 7951 -1.731 -6.822 -6.613 1.00 0.00 WT7 O ATOM 55523 H1 TIP3 7951 -5.768 24.295 19.115 1.00 0.00 WT7 H ATOM 55524 H2 TIP3 7951 12.342 23.610 17.891 1.00 0.00 WT7 H ATOM 55525 OH2 TIP3 7961 0.868 -0.110 3.138 1.00 0.00 WT7 O ATOM 55526 H1 TIP3 7961 0.478 -0.962 1.699 1.00 0.00 WT7 H ATOM 55527 H2 TIP3 7961 2.275 -1.358 -11.809 1.00 0.00 WT7 H ATOM 55528 OH2 TIP3 7978 -2.052 1.077 -1.361 1.00 0.00 WT7 O ATOM 55529 H1 TIP3 7978 -9.391 16.730 16.687 1.00 0.00 WT7 H ATOM 55530 H2 TIP3 7978 -10.789 3.218 10.635 1.00 0.00 WT7 H ATOM 55531 OH2 TIP3 7985 -2.809 -4.250 -2.791 1.00 0.00 WT7 O ATOM 55532 H1 TIP3 7985 0.832 -7.607 7.270 1.00 0.00 WT7 H ATOM 55533 H2 TIP3 7985 1.103 -5.280 30.764 1.00 0.00 WT7 H ATOM 55534 OH2 TIP3 7997 4.851 1.685 -5.541 1.00 0.00 WT7 O ATOM 55535 H1 TIP3 7997 -3.782 1.259 13.532 1.00 0.00 WT7 H ATOM 55536 H2 TIP3 7997 8.591 -0.572 -4.475 1.00 0.00 WT7 H ATOM 55537 OH2 TIP3 7998 -3.444 -2.828 -6.385 1.00 0.00 WT7 O ATOM 55538 H1 TIP3 7998 20.237 15.273 -9.137 1.00 0.00 WT7 H ATOM 55539 H2 TIP3 7998 16.199 5.646 11.188 1.00 0.00 WT7 H ATOM 55540 OH2 TIP3 8009 -2.009 -2.239 -1.074 1.00 0.00 WT7 O ATOM 55541 H1 TIP3 8009 -13.166 -19.960 2.366 1.00 0.00 WT7 H ATOM 55542 H2 TIP3 8009 -11.503 -6.011 -4.992 1.00 0.00 WT7 H ATOM 55543 OH2 TIP3 8014 -2.861 -0.872 -0.243 1.00 0.00 WT7 O ATOM 55544 H1 TIP3 8014 -7.573 -12.769 -6.279 1.00 0.00 WT7 H ATOM 55545 H2 TIP3 8014 5.336 4.568 -10.067 1.00 0.00 WT7 H ATOM 55546 OH2 TIP3 8023 -5.169 -4.897 -4.713 1.00 0.00 WT7 O ATOM 55547 H1 TIP3 8023 -7.001 -25.267 -10.904 1.00 0.00 WT7 H ATOM 55548 H2 TIP3 8023 0.703 1.134 -2.783 1.00 0.00 WT7 H ATOM 55549 OH2 TIP3 8024 3.212 1.600 -3.965 1.00 0.00 WT7 O ATOM 55550 H1 TIP3 8024 9.654 -7.159 -10.005 1.00 0.00 WT7 H ATOM 55551 H2 TIP3 8024 12.624 -12.787 -9.155 1.00 0.00 WT7 H ATOM 55552 OH2 TIP3 8031 -1.302 -6.772 -5.563 1.00 0.00 WT7 O ATOM 55553 H1 TIP3 8031 0.949 -4.865 -8.564 1.00 0.00 WT7 H ATOM 55554 H2 TIP3 8031 -2.824 -9.834 -8.370 1.00 0.00 WT7 H ATOM 55555 OH2 TIP3 8034 4.800 7.253 2.445 1.00 0.00 WT7 O ATOM 55556 H1 TIP3 8034 -32.961 -14.803 3.912 1.00 0.00 WT7 H ATOM 55557 H2 TIP3 8034 6.713 10.467 10.583 1.00 0.00 WT7 H ATOM 55558 OH2 TIP3 8046 6.543 2.562 -7.640 1.00 0.00 WT7 O ATOM 55559 H1 TIP3 8046 9.122 -0.110 2.226 1.00 0.00 WT7 H ATOM 55560 H2 TIP3 8046 1.269 -2.202 1.023 1.00 0.00 WT7 H ATOM 55561 OH2 TIP3 8064 4.833 0.084 -1.472 1.00 0.00 WT7 O ATOM 55562 H1 TIP3 8064 5.145 7.142 -12.441 1.00 0.00 WT7 H ATOM 55563 H2 TIP3 8064 14.995 -0.107 11.482 1.00 0.00 WT7 H ATOM 55564 OH2 TIP3 8067 0.131 1.254 -6.255 1.00 0.00 WT7 O ATOM 55565 H1 TIP3 8067 20.962 -20.107 -13.980 1.00 0.00 WT7 H ATOM 55566 H2 TIP3 8067 -12.393 14.613 28.561 1.00 0.00 WT7 H ATOM 55567 OH2 TIP3 8068 -2.452 -0.797 4.311 1.00 0.00 WT7 O ATOM 55568 H1 TIP3 8068 -13.994 -18.296 -6.985 1.00 0.00 WT7 H ATOM 55569 H2 TIP3 8068 4.173 11.231 8.971 1.00 0.00 WT7 H ATOM 55570 OH2 TIP3 8079 1.633 2.098 -0.677 1.00 0.00 WT7 O ATOM 55571 H1 TIP3 8079 -16.459 -2.866 12.379 1.00 0.00 WT7 H ATOM 55572 H2 TIP3 8079 7.322 -15.070 -9.328 1.00 0.00 WT7 H ATOM 55573 OH2 TIP3 8123 -3.124 0.736 2.209 1.00 0.00 WT7 O ATOM 55574 H1 TIP3 8123 -10.303 17.550 5.732 1.00 0.00 WT7 H ATOM 55575 H2 TIP3 8123 -6.641 10.010 2.742 1.00 0.00 WT7 H ATOM 55576 OH2 TIP3 8133 -3.764 -3.936 4.430 1.00 0.00 WT7 O ATOM 55577 H1 TIP3 8133 7.090 -12.234 -0.959 1.00 0.00 WT7 H ATOM 55578 H2 TIP3 8133 -4.603 -9.638 -1.962 1.00 0.00 WT7 H ATOM 55579 OH2 TIP3 8161 -3.043 3.699 -6.150 1.00 0.00 WT7 O ATOM 55580 H1 TIP3 8161 8.388 -9.113 -0.679 1.00 0.00 WT7 H ATOM 55581 H2 TIP3 8161 7.142 20.770 5.124 1.00 0.00 WT7 H ATOM 55582 OH2 TIP3 8174 1.993 0.953 -0.339 1.00 0.00 WT7 O ATOM 55583 H1 TIP3 8174 2.497 2.473 -6.095 1.00 0.00 WT7 H ATOM 55584 H2 TIP3 8174 2.629 2.035 8.013 1.00 0.00 WT7 H ATOM 55585 OH2 TIP3 8183 3.063 -3.591 0.803 1.00 0.00 WT7 O ATOM 55586 H1 TIP3 8183 -18.867 -15.293 8.171 1.00 0.00 WT7 H ATOM 55587 H2 TIP3 8183 11.589 6.154 9.350 1.00 0.00 WT7 H ATOM 55588 OH2 TIP3 8270 -6.534 -2.198 0.476 1.00 0.00 WT7 O ATOM 55589 H1 TIP3 8270 -2.556 -7.508 -0.601 1.00 0.00 WT7 H ATOM 55590 H2 TIP3 8270 -0.417 -1.381 12.174 1.00 0.00 WT7 H ATOM 55591 OH2 TIP3 8290 7.194 5.302 1.674 1.00 0.00 WT7 O ATOM 55592 H1 TIP3 8290 7.680 -0.359 8.631 1.00 0.00 WT7 H ATOM 55593 H2 TIP3 8290 6.542 7.316 0.019 1.00 0.00 WT7 H ATOM 55594 OH2 TIP3 8309 2.083 -3.361 4.324 1.00 0.00 WT7 O ATOM 55595 H1 TIP3 8309 -11.362 -12.485 0.698 1.00 0.00 WT7 H ATOM 55596 H2 TIP3 8309 -0.082 12.792 5.350 1.00 0.00 WT7 H ATOM 55597 OH2 TIP3 8375 -1.001 -1.489 -5.171 1.00 0.00 WT7 O ATOM 55598 H1 TIP3 8375 13.925 5.537 3.226 1.00 0.00 WT7 H ATOM 55599 H2 TIP3 8375 -20.120 -3.796 -5.918 1.00 0.00 WT7 H ATOM 55600 OH2 TIP3 8376 -1.541 -2.374 -2.997 1.00 0.00 WT7 O ATOM 55601 H1 TIP3 8376 -2.390 -1.027 2.248 1.00 0.00 WT7 H ATOM 55602 H2 TIP3 8376 7.828 -14.038 -10.778 1.00 0.00 WT7 H ATOM 55603 OH2 TIP3 8393 -3.122 -0.595 0.273 1.00 0.00 WT7 O ATOM 55604 H1 TIP3 8393 0.381 -18.775 5.385 1.00 0.00 WT7 H ATOM 55605 H2 TIP3 8393 1.697 15.452 -19.296 1.00 0.00 WT7 H ATOM 55606 OH2 TIP3 8395 5.559 0.294 -3.015 1.00 0.00 WT7 O ATOM 55607 H1 TIP3 8395 6.165 19.957 -24.393 1.00 0.00 WT7 H ATOM 55608 H2 TIP3 8395 22.350 -8.703 -4.435 1.00 0.00 WT7 H ATOM 55609 OH2 TIP3 8403 -7.062 -2.648 2.790 1.00 0.00 WT7 O ATOM 55610 H1 TIP3 8403 7.243 5.867 -4.096 1.00 0.00 WT7 H ATOM 55611 H2 TIP3 8403 -6.188 -4.269 14.679 1.00 0.00 WT7 H ATOM 55612 OH2 TIP3 8408 0.653 2.377 2.265 1.00 0.00 WT7 O ATOM 55613 H1 TIP3 8408 21.773 -7.407 4.346 1.00 0.00 WT7 H ATOM 55614 H2 TIP3 8408 -1.159 -2.223 -0.782 1.00 0.00 WT7 H ATOM 55615 OH2 TIP3 8411 3.231 0.979 -3.223 1.00 0.00 WT7 O ATOM 55616 H1 TIP3 8411 -1.738 -19.472 16.638 1.00 0.00 WT7 H ATOM 55617 H2 TIP3 8411 13.765 18.682 17.150 1.00 0.00 WT7 H ATOM 55618 OH2 TIP3 8414 1.070 2.903 1.273 1.00 0.00 WT7 O ATOM 55619 H1 TIP3 8414 -3.472 7.002 -4.664 1.00 0.00 WT7 H ATOM 55620 H2 TIP3 8414 -7.537 -16.591 -10.688 1.00 0.00 WT7 H ATOM 55621 OH2 TIP3 8419 4.096 2.325 4.450 1.00 0.00 WT7 O ATOM 55622 H1 TIP3 8419 -13.898 -12.250 -13.378 1.00 0.00 WT7 H ATOM 55623 H2 TIP3 8419 -2.365 5.337 -0.376 1.00 0.00 WT7 H ATOM 55624 OH2 TIP3 8425 2.259 6.235 -3.671 1.00 0.00 WT7 O ATOM 55625 H1 TIP3 8425 9.539 4.062 26.599 1.00 0.00 WT7 H ATOM 55626 H2 TIP3 8425 -6.295 -17.182 -7.263 1.00 0.00 WT7 H ATOM 55627 OH2 TIP3 8440 -0.416 1.645 -4.609 1.00 0.00 WT7 O ATOM 55628 H1 TIP3 8440 -9.522 10.805 19.763 1.00 0.00 WT7 H ATOM 55629 H2 TIP3 8440 -10.906 4.391 -5.889 1.00 0.00 WT7 H ATOM 55630 OH2 TIP3 8448 -2.524 -0.856 -3.229 1.00 0.00 WT7 O ATOM 55631 H1 TIP3 8448 -0.709 4.361 -0.400 1.00 0.00 WT7 H ATOM 55632 H2 TIP3 8448 -2.911 -3.400 -3.433 1.00 0.00 WT7 H ATOM 55633 OH2 TIP3 8452 1.303 -7.063 1.983 1.00 0.00 WT7 O ATOM 55634 H1 TIP3 8452 -0.174 -9.836 12.068 1.00 0.00 WT7 H ATOM 55635 H2 TIP3 8452 6.746 -1.434 7.037 1.00 0.00 WT7 H ATOM 55636 OH2 TIP3 8459 -0.470 -0.890 5.286 1.00 0.00 WT7 O ATOM 55637 H1 TIP3 8459 0.923 5.482 18.910 1.00 0.00 WT7 H ATOM 55638 H2 TIP3 8459 -7.143 10.536 -2.162 1.00 0.00 WT7 H ATOM 55639 OH2 TIP3 8466 -1.369 -1.041 4.371 1.00 0.00 WT7 O ATOM 55640 H1 TIP3 8466 -2.782 -6.725 3.822 1.00 0.00 WT7 H ATOM 55641 H2 TIP3 8466 2.030 -11.616 4.626 1.00 0.00 WT7 H ATOM 55642 OH2 TIP3 8468 -5.234 -1.088 -0.047 1.00 0.00 WT7 O ATOM 55643 H1 TIP3 8468 -13.306 -0.392 -5.910 1.00 0.00 WT7 H ATOM 55644 H2 TIP3 8468 -28.063 22.948 -26.890 1.00 0.00 WT7 H ATOM 55645 OH2 TIP3 8492 3.202 -4.468 3.829 1.00 0.00 WT7 O ATOM 55646 H1 TIP3 8492 19.858 8.001 -0.593 1.00 0.00 WT7 H ATOM 55647 H2 TIP3 8492 -7.597 -1.954 -17.679 1.00 0.00 WT7 H ATOM 55648 OH2 TIP3 8500 0.475 9.950 -5.863 1.00 0.00 WT7 O ATOM 55649 H1 TIP3 8500 4.564 12.353 -4.610 1.00 0.00 WT7 H ATOM 55650 H2 TIP3 8500 7.002 8.130 -5.688 1.00 0.00 WT7 H ATOM 55651 OH2 TIP3 8518 0.036 -1.512 -5.838 1.00 0.00 WT7 O ATOM 55652 H1 TIP3 8518 -11.233 -21.444 14.318 1.00 0.00 WT7 H ATOM 55653 H2 TIP3 8518 -13.666 -9.570 7.358 1.00 0.00 WT7 H ATOM 55654 OH2 TIP3 8520 -3.730 7.500 5.412 1.00 0.00 WT7 O ATOM 55655 H1 TIP3 8520 -6.245 13.063 9.384 1.00 0.00 WT7 H ATOM 55656 H2 TIP3 8520 29.195 1.502 4.828 1.00 0.00 WT7 H ATOM 55657 OH2 TIP3 8534 1.446 -2.801 -4.095 1.00 0.00 WT7 O ATOM 55658 H1 TIP3 8534 -22.506 -11.469 20.264 1.00 0.00 WT7 H ATOM 55659 H2 TIP3 8534 1.486 26.912 8.826 1.00 0.00 WT7 H ATOM 55660 OH2 TIP3 8536 -3.025 3.849 -5.847 1.00 0.00 WT7 O ATOM 55661 H1 TIP3 8536 5.582 -7.916 -17.397 1.00 0.00 WT7 H ATOM 55662 H2 TIP3 8536 11.702 -1.437 -0.275 1.00 0.00 WT7 H ATOM 55663 OH2 TIP3 8537 0.601 -4.195 -5.295 1.00 0.00 WT7 O ATOM 55664 H1 TIP3 8537 -5.388 8.370 -2.616 1.00 0.00 WT7 H ATOM 55665 H2 TIP3 8537 -4.252 -11.105 -7.939 1.00 0.00 WT7 H ATOM 55666 OH2 TIP3 8549 -0.154 -0.408 0.187 1.00 0.00 WT7 O ATOM 55667 H1 TIP3 8549 -0.400 -6.165 -12.451 1.00 0.00 WT7 H ATOM 55668 H2 TIP3 8549 14.909 14.035 -0.997 1.00 0.00 WT7 H ATOM 55669 OH2 TIP3 8556 1.504 -3.313 4.114 1.00 0.00 WT7 O ATOM 55670 H1 TIP3 8556 -3.123 1.408 8.213 1.00 0.00 WT7 H ATOM 55671 H2 TIP3 8556 -5.139 2.427 8.834 1.00 0.00 WT7 H ATOM 55672 OH2 TIP3 8558 2.170 -1.277 -7.989 1.00 0.00 WT7 O ATOM 55673 H1 TIP3 8558 -10.305 8.860 20.148 1.00 0.00 WT7 H ATOM 55674 H2 TIP3 8558 18.796 -11.393 -40.164 1.00 0.00 WT7 H ATOM 55675 OH2 TIP3 8560 5.865 3.237 -1.571 1.00 0.00 WT7 O ATOM 55676 H1 TIP3 8560 -7.723 -22.060 -2.896 1.00 0.00 WT7 H ATOM 55677 H2 TIP3 8560 1.874 -6.198 -1.284 1.00 0.00 WT7 H ATOM 55678 OH2 TIP3 8566 3.448 6.249 4.617 1.00 0.00 WT7 O ATOM 55679 H1 TIP3 8566 20.474 5.946 -6.169 1.00 0.00 WT7 H ATOM 55680 H2 TIP3 8566 11.885 2.510 -18.842 1.00 0.00 WT7 H ATOM 55681 OH2 TIP3 8567 6.161 -4.530 0.536 1.00 0.00 WT7 O ATOM 55682 H1 TIP3 8567 16.407 -8.795 -18.560 1.00 0.00 WT7 H ATOM 55683 H2 TIP3 8567 5.439 16.108 -13.381 1.00 0.00 WT7 H ATOM 55684 OH2 TIP3 8574 -5.124 -4.278 -3.988 1.00 0.00 WT7 O ATOM 55685 H1 TIP3 8574 0.363 6.287 -16.371 1.00 0.00 WT7 H ATOM 55686 H2 TIP3 8574 -23.338 -3.044 2.393 1.00 0.00 WT7 H ATOM 55687 OH2 TIP3 8585 -10.061 -4.699 -2.523 1.00 0.00 WT7 O ATOM 55688 H1 TIP3 8585 -17.416 -2.424 -7.424 1.00 0.00 WT7 H ATOM 55689 H2 TIP3 8585 9.478 -2.343 2.117 1.00 0.00 WT7 H ATOM 55690 OH2 TIP3 8600 0.883 7.532 -9.090 1.00 0.00 WT7 O ATOM 55691 H1 TIP3 8600 0.491 5.757 -9.646 1.00 0.00 WT7 H ATOM 55692 H2 TIP3 8600 -0.872 -1.021 -7.135 1.00 0.00 WT7 H ATOM 55693 OH2 TIP3 8626 7.902 -1.227 -7.280 1.00 0.00 WT7 O ATOM 55694 H1 TIP3 8626 18.144 13.194 -8.168 1.00 0.00 WT7 H ATOM 55695 H2 TIP3 8626 4.031 -6.185 -6.382 1.00 0.00 WT7 H ATOM 55696 OH2 TIP3 8645 5.257 -6.091 0.851 1.00 0.00 WT7 O ATOM 55697 H1 TIP3 8645 3.134 -2.753 12.810 1.00 0.00 WT7 H ATOM 55698 H2 TIP3 8645 18.745 1.689 -19.440 1.00 0.00 WT7 H ATOM 55699 OH2 TIP3 8813 -1.650 3.245 -5.435 1.00 0.00 WT7 O ATOM 55700 H1 TIP3 8813 7.333 19.066 2.879 1.00 0.00 WT7 H ATOM 55701 H2 TIP3 8813 -6.402 7.123 -9.253 1.00 0.00 WT7 H ATOM 55702 OH2 TIP3 8822 1.675 4.656 -3.868 1.00 0.00 WT7 O ATOM 55703 H1 TIP3 8822 19.205 7.347 16.846 1.00 0.00 WT7 H ATOM 55704 H2 TIP3 8822 -7.734 -17.048 14.244 1.00 0.00 WT7 H ATOM 55705 OH2 TIP3 8824 6.531 -5.231 -6.629 1.00 0.00 WT7 O ATOM 55706 H1 TIP3 8824 -3.952 24.162 7.522 1.00 0.00 WT7 H ATOM 55707 H2 TIP3 8824 -2.706 -15.136 -12.759 1.00 0.00 WT7 H ATOM 55708 OH2 TIP3 8829 -2.901 -1.494 -1.899 1.00 0.00 WT7 O ATOM 55709 H1 TIP3 8829 -11.576 -11.264 -2.320 1.00 0.00 WT7 H ATOM 55710 H2 TIP3 8829 -14.021 19.841 -13.988 1.00 0.00 WT7 H ATOM 55711 OH2 TIP3 8833 -1.526 1.229 1.341 1.00 0.00 WT7 O ATOM 55712 H1 TIP3 8833 -16.226 15.187 4.175 1.00 0.00 WT7 H ATOM 55713 H2 TIP3 8833 -3.682 2.959 2.323 1.00 0.00 WT7 H ATOM 55714 OH2 TIP3 8838 -2.659 -1.685 1.679 1.00 0.00 WT7 O ATOM 55715 H1 TIP3 8838 -11.338 6.615 5.416 1.00 0.00 WT7 H ATOM 55716 H2 TIP3 8838 -8.814 5.640 -14.391 1.00 0.00 WT7 H ATOM 55717 OH2 TIP3 8845 -0.714 -2.655 1.316 1.00 0.00 WT7 O ATOM 55718 H1 TIP3 8845 -11.106 -3.229 2.357 1.00 0.00 WT7 H ATOM 55719 H2 TIP3 8845 28.916 2.218 1.894 1.00 0.00 WT7 H ATOM 55720 OH2 TIP3 8855 1.678 5.429 2.898 1.00 0.00 WT7 O ATOM 55721 H1 TIP3 8855 -6.028 0.063 11.558 1.00 0.00 WT7 H ATOM 55722 H2 TIP3 8855 7.329 4.592 -7.093 1.00 0.00 WT7 H ATOM 55723 OH2 TIP3 8864 -4.709 0.767 -8.662 1.00 0.00 WT7 O ATOM 55724 H1 TIP3 8864 -12.519 -7.791 24.148 1.00 0.00 WT7 H ATOM 55725 H2 TIP3 8864 3.336 -15.082 -21.096 1.00 0.00 WT7 H ATOM 55726 OH2 TIP3 8870 2.793 0.374 0.519 1.00 0.00 WT7 O ATOM 55727 H1 TIP3 8870 -0.371 5.922 -2.256 1.00 0.00 WT7 H ATOM 55728 H2 TIP3 8870 6.414 -1.834 2.554 1.00 0.00 WT7 H ATOM 55729 OH2 TIP3 8879 5.025 -1.117 -2.178 1.00 0.00 WT7 O ATOM 55730 H1 TIP3 8879 -2.263 -7.016 -13.759 1.00 0.00 WT7 H ATOM 55731 H2 TIP3 8879 6.425 -0.224 -20.907 1.00 0.00 WT7 H ATOM 55732 OH2 TIP3 8892 -3.077 0.190 -3.069 1.00 0.00 WT7 O ATOM 55733 H1 TIP3 8892 18.054 -0.177 30.548 1.00 0.00 WT7 H ATOM 55734 H2 TIP3 8892 4.885 -0.254 9.897 1.00 0.00 WT7 H ATOM 55735 OH2 TIP3 8893 -2.380 -3.344 5.589 1.00 0.00 WT7 O ATOM 55736 H1 TIP3 8893 -6.626 -15.237 0.837 1.00 0.00 WT7 H ATOM 55737 H2 TIP3 8893 -0.729 9.566 4.357 1.00 0.00 WT7 H ATOM 55738 OH2 TIP3 8894 -2.370 -1.985 1.363 1.00 0.00 WT7 O ATOM 55739 H1 TIP3 8894 -7.567 -10.584 -12.338 1.00 0.00 WT7 H ATOM 55740 H2 TIP3 8894 12.825 -7.822 13.236 1.00 0.00 WT7 H ATOM 55741 OH2 TIP3 8904 -0.367 6.359 5.573 1.00 0.00 WT7 O ATOM 55742 H1 TIP3 8904 -10.000 1.540 -6.875 1.00 0.00 WT7 H ATOM 55743 H2 TIP3 8904 2.679 7.701 10.942 1.00 0.00 WT7 H ATOM 55744 OH2 TIP3 8920 3.542 6.256 2.139 1.00 0.00 WT7 O ATOM 55745 H1 TIP3 8920 15.980 2.852 0.370 1.00 0.00 WT7 H ATOM 55746 H2 TIP3 8920 10.266 11.445 -2.134 1.00 0.00 WT7 H ATOM 55747 OH2 TIP3 8927 5.279 -6.735 0.791 1.00 0.00 WT7 O ATOM 55748 H1 TIP3 8927 3.213 -5.017 -2.283 1.00 0.00 WT7 H ATOM 55749 H2 TIP3 8927 3.664 -43.697 16.318 1.00 0.00 WT7 H ATOM 55750 OH2 TIP3 8935 0.175 2.913 -1.410 1.00 0.00 WT7 O ATOM 55751 H1 TIP3 8935 -14.230 2.999 -19.396 1.00 0.00 WT7 H ATOM 55752 H2 TIP3 8935 19.250 -8.016 -10.044 1.00 0.00 WT7 H ATOM 55753 OH2 TIP3 8937 2.242 -5.406 -4.009 1.00 0.00 WT7 O ATOM 55754 H1 TIP3 8937 -6.330 -2.748 -0.901 1.00 0.00 WT7 H ATOM 55755 H2 TIP3 8937 10.899 -4.660 -4.553 1.00 0.00 WT7 H ATOM 55756 OH2 TIP3 8938 -0.309 -1.854 6.603 1.00 0.00 WT7 O ATOM 55757 H1 TIP3 8938 -12.434 -7.554 -8.549 1.00 0.00 WT7 H ATOM 55758 H2 TIP3 8938 -7.623 -11.808 -1.811 1.00 0.00 WT7 H ATOM 55759 OH2 TIP3 8939 3.444 0.678 -1.867 1.00 0.00 WT7 O ATOM 55760 H1 TIP3 8939 -7.514 20.667 -14.028 1.00 0.00 WT7 H ATOM 55761 H2 TIP3 8939 -10.686 22.302 0.854 1.00 0.00 WT7 H ATOM 55762 OH2 TIP3 8942 -3.604 -1.264 4.697 1.00 0.00 WT7 O ATOM 55763 H1 TIP3 8942 24.673 -0.877 3.652 1.00 0.00 WT7 H ATOM 55764 H2 TIP3 8942 -14.202 -9.187 -13.442 1.00 0.00 WT7 H ATOM 55765 OH2 TIP3 8956 3.333 8.370 0.947 1.00 0.00 WT7 O ATOM 55766 H1 TIP3 8956 28.897 -4.828 -3.917 1.00 0.00 WT7 H ATOM 55767 H2 TIP3 8956 -2.768 5.593 0.538 1.00 0.00 WT7 H ATOM 55768 OH2 TIP3 8960 1.890 2.773 4.736 1.00 0.00 WT7 O ATOM 55769 H1 TIP3 8960 19.039 -2.620 0.970 1.00 0.00 WT7 H ATOM 55770 H2 TIP3 8960 32.087 -20.343 -4.356 1.00 0.00 WT7 H ATOM 55771 OH2 TIP3 8972 -7.276 3.370 2.766 1.00 0.00 WT7 O ATOM 55772 H1 TIP3 8972 -7.906 -7.543 -7.212 1.00 0.00 WT7 H ATOM 55773 H2 TIP3 8972 -13.870 -20.207 -15.716 1.00 0.00 WT7 H ATOM 55774 OH2 TIP3 8973 -1.239 3.204 1.053 1.00 0.00 WT7 O ATOM 55775 H1 TIP3 8973 -5.972 -8.387 -5.178 1.00 0.00 WT7 H ATOM 55776 H2 TIP3 8973 5.527 24.123 -19.167 1.00 0.00 WT7 H ATOM 55777 OH2 TIP3 8977 -3.494 1.849 2.183 1.00 0.00 WT7 O ATOM 55778 H1 TIP3 8977 8.887 9.096 2.638 1.00 0.00 WT7 H ATOM 55779 H2 TIP3 8977 -15.955 -6.286 -3.809 1.00 0.00 WT7 H ATOM 55780 OH2 TIP3 8982 3.575 2.668 1.036 1.00 0.00 WT7 O ATOM 55781 H1 TIP3 8982 -13.992 0.110 -1.099 1.00 0.00 WT7 H ATOM 55782 H2 TIP3 8982 13.250 -1.673 12.354 1.00 0.00 WT7 H ATOM 55783 OH2 TIP3 8984 -0.449 2.855 2.297 1.00 0.00 WT7 O ATOM 55784 H1 TIP3 8984 -11.124 32.471 36.570 1.00 0.00 WT7 H ATOM 55785 H2 TIP3 8984 1.170 -8.137 1.979 1.00 0.00 WT7 H ATOM 55786 OH2 TIP3 8988 -5.357 -3.673 -2.125 1.00 0.00 WT7 O ATOM 55787 H1 TIP3 8988 -5.526 -6.456 -0.651 1.00 0.00 WT7 H ATOM 55788 H2 TIP3 8988 4.486 -2.336 -11.537 1.00 0.00 WT7 H ATOM 55789 OH2 TIP3 9017 -1.873 -6.370 1.702 1.00 0.00 WT7 O ATOM 55790 H1 TIP3 9017 -7.251 -5.992 -0.098 1.00 0.00 WT7 H ATOM 55791 H2 TIP3 9017 8.334 -5.672 2.764 1.00 0.00 WT7 H ATOM 55792 OH2 TIP3 9022 -5.949 -0.059 5.693 1.00 0.00 WT7 O ATOM 55793 H1 TIP3 9022 -6.811 -2.594 11.157 1.00 0.00 WT7 H ATOM 55794 H2 TIP3 9022 4.190 8.309 -14.853 1.00 0.00 WT7 H ATOM 55795 OH2 TIP3 9047 -2.223 2.004 -0.093 1.00 0.00 WT7 O ATOM 55796 H1 TIP3 9047 -13.984 -31.000 -6.372 1.00 0.00 WT7 H ATOM 55797 H2 TIP3 9047 13.169 7.645 -6.051 1.00 0.00 WT7 H ATOM 55798 OH2 TIP3 9055 -3.593 -1.131 -2.453 1.00 0.00 WT7 O ATOM 55799 H1 TIP3 9055 7.103 -0.125 -4.686 1.00 0.00 WT7 H ATOM 55800 H2 TIP3 9055 14.742 15.797 -1.510 1.00 0.00 WT7 H ATOM 55801 OH2 TIP3 9063 1.837 -0.840 3.417 1.00 0.00 WT7 O ATOM 55802 H1 TIP3 9063 -0.124 6.461 0.712 1.00 0.00 WT7 H ATOM 55803 H2 TIP3 9063 -0.791 1.103 -7.068 1.00 0.00 WT7 H ATOM 55804 OH2 TIP3 9068 -4.169 2.393 -2.072 1.00 0.00 WT7 O ATOM 55805 H1 TIP3 9068 4.106 1.074 10.229 1.00 0.00 WT7 H ATOM 55806 H2 TIP3 9068 -16.745 5.163 -1.714 1.00 0.00 WT7 H ATOM 55807 OH2 TIP3 9096 1.572 3.692 0.207 1.00 0.00 WT7 O ATOM 55808 H1 TIP3 9096 -23.081 10.281 8.216 1.00 0.00 WT7 H ATOM 55809 H2 TIP3 9096 -10.152 -3.307 -3.722 1.00 0.00 WT7 H ATOM 55810 OH2 TIP3 9178 6.722 2.847 0.292 1.00 0.00 WT7 O ATOM 55811 H1 TIP3 9178 12.467 43.032 -3.051 1.00 0.00 WT7 H ATOM 55812 H2 TIP3 9178 3.146 -9.374 1.019 1.00 0.00 WT7 H ATOM 55813 OH2 TIP3 9250 -1.595 -2.621 0.333 1.00 0.00 WT7 O ATOM 55814 H1 TIP3 9250 -21.087 -1.156 12.573 1.00 0.00 WT7 H ATOM 55815 H2 TIP3 9250 -34.576 2.037 5.989 1.00 0.00 WT7 H ATOM 55816 OH2 TIP3 5 4.730 -4.470 3.615 1.00 0.00 WT8 O ATOM 55817 H1 TIP3 5 8.484 28.067 -7.341 1.00 0.00 WT8 H ATOM 55818 H2 TIP3 5 -25.725 6.999 14.312 1.00 0.00 WT8 H ATOM 55819 OH2 TIP3 44 4.275 -9.594 -2.677 1.00 0.00 WT8 O ATOM 55820 H1 TIP3 44 -5.008 12.267 6.346 1.00 0.00 WT8 H ATOM 55821 H2 TIP3 44 -5.344 -6.534 5.607 1.00 0.00 WT8 H ATOM 55822 OH2 TIP3 48 0.216 -0.257 5.486 1.00 0.00 WT8 O ATOM 55823 H1 TIP3 48 -0.150 -6.229 -10.001 1.00 0.00 WT8 H ATOM 55824 H2 TIP3 48 10.829 -3.817 8.130 1.00 0.00 WT8 H ATOM 55825 OH2 TIP3 67 -6.147 -2.762 3.937 1.00 0.00 WT8 O ATOM 55826 H1 TIP3 67 -3.202 -22.559 -12.803 1.00 0.00 WT8 H ATOM 55827 H2 TIP3 67 12.640 8.479 6.796 1.00 0.00 WT8 H ATOM 55828 OH2 TIP3 87 -5.336 -0.000 -0.901 1.00 0.00 WT8 O ATOM 55829 H1 TIP3 87 -7.461 -36.226 11.614 1.00 0.00 WT8 H ATOM 55830 H2 TIP3 87 -31.263 4.974 -32.281 1.00 0.00 WT8 H ATOM 55831 OH2 TIP3 113 -2.418 2.566 3.533 1.00 0.00 WT8 O ATOM 55832 H1 TIP3 113 -7.610 -5.859 2.111 1.00 0.00 WT8 H ATOM 55833 H2 TIP3 113 -3.855 1.600 -10.411 1.00 0.00 WT8 H ATOM 55834 OH2 TIP3 149 -6.406 3.697 6.998 1.00 0.00 WT8 O ATOM 55835 H1 TIP3 149 -24.065 2.412 14.777 1.00 0.00 WT8 H ATOM 55836 H2 TIP3 149 -12.925 18.741 1.847 1.00 0.00 WT8 H ATOM 55837 OH2 TIP3 150 3.068 0.067 -4.565 1.00 0.00 WT8 O ATOM 55838 H1 TIP3 150 -2.007 -11.447 1.605 1.00 0.00 WT8 H ATOM 55839 H2 TIP3 150 3.502 -0.207 -1.947 1.00 0.00 WT8 H ATOM 55840 OH2 TIP3 167 -2.283 0.755 -1.770 1.00 0.00 WT8 O ATOM 55841 H1 TIP3 167 -2.300 -4.485 -4.886 1.00 0.00 WT8 H ATOM 55842 H2 TIP3 167 -31.126 13.931 12.943 1.00 0.00 WT8 H ATOM 55843 OH2 TIP3 175 -10.495 -12.048 2.093 1.00 0.00 WT8 O ATOM 55844 H1 TIP3 175 -14.472 -13.337 -0.681 1.00 0.00 WT8 H ATOM 55845 H2 TIP3 175 13.192 -4.769 -0.021 1.00 0.00 WT8 H ATOM 55846 OH2 TIP3 237 6.435 -10.324 -0.905 1.00 0.00 WT8 O ATOM 55847 H1 TIP3 237 29.876 -13.069 -5.047 1.00 0.00 WT8 H ATOM 55848 H2 TIP3 237 -17.386 -5.734 7.528 1.00 0.00 WT8 H ATOM 55849 OH2 TIP3 449 -0.478 5.261 1.582 1.00 0.00 WT8 O ATOM 55850 H1 TIP3 449 3.891 -9.543 -3.410 1.00 0.00 WT8 H ATOM 55851 H2 TIP3 449 2.221 24.272 1.520 1.00 0.00 WT8 H ATOM 55852 OH2 TIP3 485 -3.527 0.449 -1.567 1.00 0.00 WT8 O ATOM 55853 H1 TIP3 485 -4.799 5.315 -4.382 1.00 0.00 WT8 H ATOM 55854 H2 TIP3 485 -1.482 -0.867 2.148 1.00 0.00 WT8 H ATOM 55855 OH2 TIP3 486 2.522 5.472 4.706 1.00 0.00 WT8 O ATOM 55856 H1 TIP3 486 2.210 1.983 13.009 1.00 0.00 WT8 H ATOM 55857 H2 TIP3 486 -4.206 -2.298 1.341 1.00 0.00 WT8 H ATOM 55858 OH2 TIP3 489 -3.341 0.170 2.697 1.00 0.00 WT8 O ATOM 55859 H1 TIP3 489 -5.761 -5.104 3.438 1.00 0.00 WT8 H ATOM 55860 H2 TIP3 489 3.686 -0.877 7.726 1.00 0.00 WT8 H ATOM 55861 OH2 TIP3 503 2.366 -1.313 -1.622 1.00 0.00 WT8 O ATOM 55862 H1 TIP3 503 5.501 -2.523 -3.604 1.00 0.00 WT8 H ATOM 55863 H2 TIP3 503 17.810 -6.476 8.298 1.00 0.00 WT8 H ATOM 55864 OH2 TIP3 506 -1.121 -3.112 -1.191 1.00 0.00 WT8 O ATOM 55865 H1 TIP3 506 -14.774 10.259 9.356 1.00 0.00 WT8 H ATOM 55866 H2 TIP3 506 -9.587 -15.012 -2.808 1.00 0.00 WT8 H ATOM 55867 OH2 TIP3 509 -3.345 2.681 -0.168 1.00 0.00 WT8 O ATOM 55868 H1 TIP3 509 -12.323 11.681 3.379 1.00 0.00 WT8 H ATOM 55869 H2 TIP3 509 -26.884 13.900 -8.663 1.00 0.00 WT8 H ATOM 55870 OH2 TIP3 511 -1.050 2.112 -2.266 1.00 0.00 WT8 O ATOM 55871 H1 TIP3 511 -2.300 -1.525 -4.373 1.00 0.00 WT8 H ATOM 55872 H2 TIP3 511 -3.962 -1.884 -10.801 1.00 0.00 WT8 H ATOM 55873 OH2 TIP3 548 -1.563 -5.432 4.854 1.00 0.00 WT8 O ATOM 55874 H1 TIP3 548 13.164 -2.593 1.400 1.00 0.00 WT8 H ATOM 55875 H2 TIP3 548 -0.918 1.806 -1.299 1.00 0.00 WT8 H ATOM 55876 OH2 TIP3 550 -0.239 -4.994 1.763 1.00 0.00 WT8 O ATOM 55877 H1 TIP3 550 13.650 8.326 29.083 1.00 0.00 WT8 H ATOM 55878 H2 TIP3 550 -9.349 -1.811 11.419 1.00 0.00 WT8 H ATOM 55879 OH2 TIP3 551 -3.101 6.168 -8.803 1.00 0.00 WT8 O ATOM 55880 H1 TIP3 551 -0.512 22.561 -8.195 1.00 0.00 WT8 H ATOM 55881 H2 TIP3 551 -5.327 -0.622 -8.333 1.00 0.00 WT8 H ATOM 55882 OH2 TIP3 562 1.107 2.516 -0.441 1.00 0.00 WT8 O ATOM 55883 H1 TIP3 562 2.542 7.166 -23.835 1.00 0.00 WT8 H ATOM 55884 H2 TIP3 562 -11.106 22.384 -7.567 1.00 0.00 WT8 H ATOM 55885 OH2 TIP3 573 -2.730 -5.012 4.349 1.00 0.00 WT8 O ATOM 55886 H1 TIP3 573 1.499 -7.844 16.784 1.00 0.00 WT8 H ATOM 55887 H2 TIP3 573 11.203 -8.206 30.522 1.00 0.00 WT8 H ATOM 55888 OH2 TIP3 575 -1.933 -3.346 2.772 1.00 0.00 WT8 O ATOM 55889 H1 TIP3 575 6.232 5.291 5.990 1.00 0.00 WT8 H ATOM 55890 H2 TIP3 575 2.402 2.963 3.607 1.00 0.00 WT8 H ATOM 55891 OH2 TIP3 584 -0.947 -0.751 0.428 1.00 0.00 WT8 O ATOM 55892 H1 TIP3 584 1.475 0.981 1.386 1.00 0.00 WT8 H ATOM 55893 H2 TIP3 584 -8.425 -8.990 3.616 1.00 0.00 WT8 H ATOM 55894 OH2 TIP3 591 -5.864 4.119 -2.819 1.00 0.00 WT8 O ATOM 55895 H1 TIP3 591 -22.752 -2.043 10.065 1.00 0.00 WT8 H ATOM 55896 H2 TIP3 591 -5.383 -0.531 4.980 1.00 0.00 WT8 H ATOM 55897 OH2 TIP3 593 0.103 -2.467 3.169 1.00 0.00 WT8 O ATOM 55898 H1 TIP3 593 5.985 -0.896 4.643 1.00 0.00 WT8 H ATOM 55899 H2 TIP3 593 -5.519 -4.892 2.203 1.00 0.00 WT8 H ATOM 55900 OH2 TIP3 594 -2.091 7.114 -4.672 1.00 0.00 WT8 O ATOM 55901 H1 TIP3 594 -5.745 3.432 -4.485 1.00 0.00 WT8 H ATOM 55902 H2 TIP3 594 9.705 4.529 1.210 1.00 0.00 WT8 H ATOM 55903 OH2 TIP3 822 -0.805 -0.290 -0.542 1.00 0.00 WT8 O ATOM 55904 H1 TIP3 822 -4.402 -6.975 -8.986 1.00 0.00 WT8 H ATOM 55905 H2 TIP3 822 9.614 6.776 -24.026 1.00 0.00 WT8 H ATOM 55906 OH2 TIP3 892 4.442 -1.090 6.247 1.00 0.00 WT8 O ATOM 55907 H1 TIP3 892 -24.931 4.311 20.509 1.00 0.00 WT8 H ATOM 55908 H2 TIP3 892 8.684 10.881 10.724 1.00 0.00 WT8 H ATOM 55909 OH2 TIP3 908 3.781 -2.363 -1.619 1.00 0.00 WT8 O ATOM 55910 H1 TIP3 908 9.084 4.690 -4.604 1.00 0.00 WT8 H ATOM 55911 H2 TIP3 908 7.084 8.152 -5.956 1.00 0.00 WT8 H ATOM 55912 OH2 TIP3 928 -4.958 -2.990 -2.685 1.00 0.00 WT8 O ATOM 55913 H1 TIP3 928 2.797 -23.582 14.795 1.00 0.00 WT8 H ATOM 55914 H2 TIP3 928 1.875 -6.737 5.324 1.00 0.00 WT8 H ATOM 55915 OH2 TIP3 930 6.405 0.996 3.187 1.00 0.00 WT8 O ATOM 55916 H1 TIP3 930 -19.868 18.782 -5.277 1.00 0.00 WT8 H ATOM 55917 H2 TIP3 930 13.786 8.941 6.527 1.00 0.00 WT8 H ATOM 55918 OH2 TIP3 987 -4.990 -0.975 0.348 1.00 0.00 WT8 O ATOM 55919 H1 TIP3 987 -6.670 -1.336 -2.248 1.00 0.00 WT8 H ATOM 55920 H2 TIP3 987 -4.220 -2.443 -9.819 1.00 0.00 WT8 H ATOM 55921 OH2 TIP3 993 -4.786 -5.042 0.808 1.00 0.00 WT8 O ATOM 55922 H1 TIP3 993 4.942 -16.842 -12.533 1.00 0.00 WT8 H ATOM 55923 H2 TIP3 993 -7.961 17.924 18.338 1.00 0.00 WT8 H ATOM 55924 OH2 TIP3 1013 0.420 -3.462 3.928 1.00 0.00 WT8 O ATOM 55925 H1 TIP3 1013 -16.657 6.176 10.021 1.00 0.00 WT8 H ATOM 55926 H2 TIP3 1013 -14.201 6.939 -26.351 1.00 0.00 WT8 H ATOM 55927 OH2 TIP3 1018 3.995 -1.027 -4.156 1.00 0.00 WT8 O ATOM 55928 H1 TIP3 1018 7.338 -7.337 -2.703 1.00 0.00 WT8 H ATOM 55929 H2 TIP3 1018 -0.113 -4.038 -6.091 1.00 0.00 WT8 H ATOM 55930 OH2 TIP3 1076 -0.323 5.824 0.874 1.00 0.00 WT8 O ATOM 55931 H1 TIP3 1076 -16.263 -11.424 26.757 1.00 0.00 WT8 H ATOM 55932 H2 TIP3 1076 12.205 -9.626 21.776 1.00 0.00 WT8 H ATOM 55933 OH2 TIP3 1098 -5.171 0.274 -4.146 1.00 0.00 WT8 O ATOM 55934 H1 TIP3 1098 19.594 -2.261 11.205 1.00 0.00 WT8 H ATOM 55935 H2 TIP3 1098 -28.964 -3.236 14.908 1.00 0.00 WT8 H ATOM 55936 OH2 TIP3 1122 -3.855 1.396 -0.871 1.00 0.00 WT8 O ATOM 55937 H1 TIP3 1122 -1.759 -13.619 -30.717 1.00 0.00 WT8 H ATOM 55938 H2 TIP3 1122 22.893 13.382 4.391 1.00 0.00 WT8 H ATOM 55939 OH2 TIP3 1138 -1.008 2.274 6.557 1.00 0.00 WT8 O ATOM 55940 H1 TIP3 1138 11.535 12.726 2.065 1.00 0.00 WT8 H ATOM 55941 H2 TIP3 1138 -3.142 3.227 6.881 1.00 0.00 WT8 H ATOM 55942 OH2 TIP3 1301 0.514 4.577 -2.192 1.00 0.00 WT8 O ATOM 55943 H1 TIP3 1301 -7.090 6.531 -4.356 1.00 0.00 WT8 H ATOM 55944 H2 TIP3 1301 3.189 10.980 4.209 1.00 0.00 WT8 H ATOM 55945 OH2 TIP3 1354 1.416 -3.529 10.146 1.00 0.00 WT8 O ATOM 55946 H1 TIP3 1354 2.976 -6.947 19.168 1.00 0.00 WT8 H ATOM 55947 H2 TIP3 1354 -4.227 0.807 -3.428 1.00 0.00 WT8 H ATOM 55948 OH2 TIP3 1370 3.610 10.552 -3.499 1.00 0.00 WT8 O ATOM 55949 H1 TIP3 1370 -2.948 2.056 35.636 1.00 0.00 WT8 H ATOM 55950 H2 TIP3 1370 -33.466 2.926 -22.401 1.00 0.00 WT8 H ATOM 55951 OH2 TIP3 1387 -2.950 1.098 -1.897 1.00 0.00 WT8 O ATOM 55952 H1 TIP3 1387 -21.440 -13.115 8.395 1.00 0.00 WT8 H ATOM 55953 H2 TIP3 1387 -3.678 5.855 -4.726 1.00 0.00 WT8 H ATOM 55954 OH2 TIP3 1408 -1.567 -3.966 3.767 1.00 0.00 WT8 O ATOM 55955 H1 TIP3 1408 -20.417 -14.429 10.261 1.00 0.00 WT8 H ATOM 55956 H2 TIP3 1408 7.160 -1.829 -26.024 1.00 0.00 WT8 H ATOM 55957 OH2 TIP3 1414 0.580 2.407 2.606 1.00 0.00 WT8 O ATOM 55958 H1 TIP3 1414 -0.192 -17.097 -8.188 1.00 0.00 WT8 H ATOM 55959 H2 TIP3 1414 -21.227 4.509 4.875 1.00 0.00 WT8 H ATOM 55960 OH2 TIP3 1429 -5.273 -0.828 -2.993 1.00 0.00 WT8 O ATOM 55961 H1 TIP3 1429 -3.577 24.065 11.008 1.00 0.00 WT8 H ATOM 55962 H2 TIP3 1429 1.755 -7.593 7.268 1.00 0.00 WT8 H ATOM 55963 OH2 TIP3 1433 4.880 1.410 0.472 1.00 0.00 WT8 O ATOM 55964 H1 TIP3 1433 -2.355 9.789 -6.295 1.00 0.00 WT8 H ATOM 55965 H2 TIP3 1433 -9.194 -4.225 -17.174 1.00 0.00 WT8 H ATOM 55966 OH2 TIP3 1440 9.330 -1.705 2.342 1.00 0.00 WT8 O ATOM 55967 H1 TIP3 1440 -5.086 6.880 8.054 1.00 0.00 WT8 H ATOM 55968 H2 TIP3 1440 14.122 12.191 -13.566 1.00 0.00 WT8 H ATOM 55969 OH2 TIP3 1451 0.742 2.614 -0.130 1.00 0.00 WT8 O ATOM 55970 H1 TIP3 1451 0.087 -3.478 6.535 1.00 0.00 WT8 H ATOM 55971 H2 TIP3 1451 -1.574 1.927 0.852 1.00 0.00 WT8 H ATOM 55972 OH2 TIP3 1480 1.229 -3.387 8.594 1.00 0.00 WT8 O ATOM 55973 H1 TIP3 1480 -0.359 -8.603 14.417 1.00 0.00 WT8 H ATOM 55974 H2 TIP3 1480 -3.512 2.080 12.986 1.00 0.00 WT8 H ATOM 55975 OH2 TIP3 1573 -1.885 -0.851 3.275 1.00 0.00 WT8 O ATOM 55976 H1 TIP3 1573 5.348 -13.279 -6.305 1.00 0.00 WT8 H ATOM 55977 H2 TIP3 1573 9.673 1.564 11.567 1.00 0.00 WT8 H ATOM 55978 OH2 TIP3 1618 2.866 -0.741 2.927 1.00 0.00 WT8 O ATOM 55979 H1 TIP3 1618 12.830 -2.415 -6.725 1.00 0.00 WT8 H ATOM 55980 H2 TIP3 1618 -16.308 -6.438 14.097 1.00 0.00 WT8 H ATOM 55981 OH2 TIP3 1725 -3.080 -3.726 -3.758 1.00 0.00 WT8 O ATOM 55982 H1 TIP3 1725 -5.481 -4.910 -15.799 1.00 0.00 WT8 H ATOM 55983 H2 TIP3 1725 9.014 -3.713 -4.058 1.00 0.00 WT8 H ATOM 55984 OH2 TIP3 1733 2.913 -4.568 1.348 1.00 0.00 WT8 O ATOM 55985 H1 TIP3 1733 -8.146 10.011 -2.370 1.00 0.00 WT8 H ATOM 55986 H2 TIP3 1733 8.228 6.697 -10.512 1.00 0.00 WT8 H ATOM 55987 OH2 TIP3 1771 -0.983 0.510 -4.352 1.00 0.00 WT8 O ATOM 55988 H1 TIP3 1771 18.664 4.786 3.106 1.00 0.00 WT8 H ATOM 55989 H2 TIP3 1771 -2.208 -3.882 5.741 1.00 0.00 WT8 H ATOM 55990 OH2 TIP3 1849 1.738 -6.198 -2.407 1.00 0.00 WT8 O ATOM 55991 H1 TIP3 1849 20.556 21.262 -17.104 1.00 0.00 WT8 H ATOM 55992 H2 TIP3 1849 0.866 -10.808 -19.501 1.00 0.00 WT8 H ATOM 55993 OH2 TIP3 1853 -0.558 -6.944 5.427 1.00 0.00 WT8 O ATOM 55994 H1 TIP3 1853 0.406 -7.812 6.838 1.00 0.00 WT8 H ATOM 55995 H2 TIP3 1853 -5.572 1.610 -1.108 1.00 0.00 WT8 H ATOM 55996 OH2 TIP3 1897 -3.664 8.097 3.809 1.00 0.00 WT8 O ATOM 55997 H1 TIP3 1897 -1.295 -10.706 21.735 1.00 0.00 WT8 H ATOM 55998 H2 TIP3 1897 -4.576 23.062 7.086 1.00 0.00 WT8 H ATOM 55999 OH2 TIP3 2231 -8.261 -2.232 3.524 1.00 0.00 WT8 O ATOM 56000 H1 TIP3 2231 9.563 4.288 -14.356 1.00 0.00 WT8 H ATOM 56001 H2 TIP3 2231 1.244 -20.362 -0.466 1.00 0.00 WT8 H ATOM 56002 OH2 TIP3 2270 2.311 1.050 -4.662 1.00 0.00 WT8 O ATOM 56003 H1 TIP3 2270 16.847 -9.018 -7.035 1.00 0.00 WT8 H ATOM 56004 H2 TIP3 2270 3.028 9.900 13.682 1.00 0.00 WT8 H ATOM 56005 OH2 TIP3 2288 -3.495 -2.735 -4.958 1.00 0.00 WT8 O ATOM 56006 H1 TIP3 2288 2.331 4.820 5.153 1.00 0.00 WT8 H ATOM 56007 H2 TIP3 2288 4.969 -11.422 -9.206 1.00 0.00 WT8 H ATOM 56008 OH2 TIP3 2293 3.780 0.733 0.604 1.00 0.00 WT8 O ATOM 56009 H1 TIP3 2293 -6.700 -15.873 14.835 1.00 0.00 WT8 H ATOM 56010 H2 TIP3 2293 15.184 -11.253 -13.709 1.00 0.00 WT8 H ATOM 56011 OH2 TIP3 2317 6.485 3.013 1.683 1.00 0.00 WT8 O ATOM 56012 H1 TIP3 2317 10.063 -11.466 -21.152 1.00 0.00 WT8 H ATOM 56013 H2 TIP3 2317 -4.437 -23.392 17.888 1.00 0.00 WT8 H ATOM 56014 OH2 TIP3 2357 0.269 -4.720 9.434 1.00 0.00 WT8 O ATOM 56015 H1 TIP3 2357 -8.820 -8.106 -8.993 1.00 0.00 WT8 H ATOM 56016 H2 TIP3 2357 -12.743 -19.172 30.290 1.00 0.00 WT8 H ATOM 56017 OH2 TIP3 2358 4.387 0.810 -5.662 1.00 0.00 WT8 O ATOM 56018 H1 TIP3 2358 -3.751 4.085 -5.071 1.00 0.00 WT8 H ATOM 56019 H2 TIP3 2358 6.723 -0.230 -6.667 1.00 0.00 WT8 H ATOM 56020 OH2 TIP3 2714 2.005 4.044 -3.600 1.00 0.00 WT8 O ATOM 56021 H1 TIP3 2714 0.614 7.990 0.061 1.00 0.00 WT8 H ATOM 56022 H2 TIP3 2714 8.079 -11.640 -16.113 1.00 0.00 WT8 H ATOM 56023 OH2 TIP3 5421 2.765 2.359 5.974 1.00 0.00 WT8 O ATOM 56024 H1 TIP3 5421 -20.482 -18.753 -8.382 1.00 0.00 WT8 H ATOM 56025 H2 TIP3 5421 3.101 -6.032 24.633 1.00 0.00 WT8 H ATOM 56026 OH2 TIP3 6240 5.378 0.127 -4.081 1.00 0.00 WT8 O ATOM 56027 H1 TIP3 6240 -8.674 -6.585 -17.145 1.00 0.00 WT8 H ATOM 56028 H2 TIP3 6240 10.405 -18.578 -4.839 1.00 0.00 WT8 H ATOM 56029 OH2 TIP3 6350 7.450 1.656 -7.573 1.00 0.00 WT8 O ATOM 56030 H1 TIP3 6350 14.017 -6.178 10.843 1.00 0.00 WT8 H ATOM 56031 H2 TIP3 6350 11.550 0.614 1.398 1.00 0.00 WT8 H ATOM 56032 OH2 TIP3 6671 0.952 1.321 2.348 1.00 0.00 WT8 O ATOM 56033 H1 TIP3 6671 -10.291 -8.261 -14.591 1.00 0.00 WT8 H ATOM 56034 H2 TIP3 6671 6.424 -20.806 -6.875 1.00 0.00 WT8 H ATOM 56035 OH2 TIP3 7563 1.985 1.749 -4.165 1.00 0.00 WT8 O ATOM 56036 H1 TIP3 7563 23.452 0.649 -15.263 1.00 0.00 WT8 H ATOM 56037 H2 TIP3 7563 8.077 -4.053 -13.791 1.00 0.00 WT8 H ATOM 56038 OH2 TIP3 7583 -7.281 -2.120 3.267 1.00 0.00 WT8 O ATOM 56039 H1 TIP3 7583 -31.641 -4.988 9.802 1.00 0.00 WT8 H ATOM 56040 H2 TIP3 7583 -25.864 2.474 3.559 1.00 0.00 WT8 H ATOM 56041 OH2 TIP3 7607 4.686 -9.359 2.266 1.00 0.00 WT8 O ATOM 56042 H1 TIP3 7607 4.343 -12.795 -3.684 1.00 0.00 WT8 H ATOM 56043 H2 TIP3 7607 -8.318 -14.667 -31.274 1.00 0.00 WT8 H ATOM 56044 OH2 TIP3 7630 1.010 2.707 -0.835 1.00 0.00 WT8 O ATOM 56045 H1 TIP3 7630 1.527 0.305 -3.184 1.00 0.00 WT8 H ATOM 56046 H2 TIP3 7630 -5.994 3.698 4.063 1.00 0.00 WT8 H ATOM 56047 OH2 TIP3 7631 1.108 -4.288 -0.876 1.00 0.00 WT8 O ATOM 56048 H1 TIP3 7631 -30.390 7.480 -17.733 1.00 0.00 WT8 H ATOM 56049 H2 TIP3 7631 -11.191 15.320 -1.745 1.00 0.00 WT8 H ATOM 56050 OH2 TIP3 7647 1.026 5.940 -7.335 1.00 0.00 WT8 O ATOM 56051 H1 TIP3 7647 0.226 -2.523 11.219 1.00 0.00 WT8 H ATOM 56052 H2 TIP3 7647 11.071 11.258 -9.514 1.00 0.00 WT8 H ATOM 56053 OH2 TIP3 7650 0.279 -0.550 1.943 1.00 0.00 WT8 O ATOM 56054 H1 TIP3 7650 -6.263 -0.083 -9.290 1.00 0.00 WT8 H ATOM 56055 H2 TIP3 7650 -10.201 -7.341 -0.635 1.00 0.00 WT8 H ATOM 56056 OH2 TIP3 7707 6.661 -2.212 -0.828 1.00 0.00 WT8 O ATOM 56057 H1 TIP3 7707 -6.854 0.045 -13.553 1.00 0.00 WT8 H ATOM 56058 H2 TIP3 7707 12.499 15.228 5.186 1.00 0.00 WT8 H ATOM 56059 OH2 TIP3 7961 1.368 0.648 -1.698 1.00 0.00 WT8 O ATOM 56060 H1 TIP3 7961 2.730 4.212 9.216 1.00 0.00 WT8 H ATOM 56061 H2 TIP3 7961 0.939 -1.313 -7.339 1.00 0.00 WT8 H ATOM 56062 OH2 TIP3 7985 -1.445 -1.085 1.221 1.00 0.00 WT8 O ATOM 56063 H1 TIP3 7985 22.180 -7.871 -5.821 1.00 0.00 WT8 H ATOM 56064 H2 TIP3 7985 -5.284 -0.868 2.051 1.00 0.00 WT8 H ATOM 56065 OH2 TIP3 8023 2.670 -3.573 -0.329 1.00 0.00 WT8 O ATOM 56066 H1 TIP3 8023 15.014 -7.861 -9.349 1.00 0.00 WT8 H ATOM 56067 H2 TIP3 8023 -1.205 -10.454 26.222 1.00 0.00 WT8 H ATOM 56068 OH2 TIP3 8024 -3.143 -2.021 6.937 1.00 0.00 WT8 O ATOM 56069 H1 TIP3 8024 -0.368 9.035 5.460 1.00 0.00 WT8 H ATOM 56070 H2 TIP3 8024 -2.545 0.527 6.367 1.00 0.00 WT8 H ATOM 56071 OH2 TIP3 8046 -0.659 2.051 5.332 1.00 0.00 WT8 O ATOM 56072 H1 TIP3 8046 21.650 2.437 -5.027 1.00 0.00 WT8 H ATOM 56073 H2 TIP3 8046 -11.303 -25.395 15.914 1.00 0.00 WT8 H ATOM 56074 OH2 TIP3 8064 -2.095 -5.157 -3.481 1.00 0.00 WT8 O ATOM 56075 H1 TIP3 8064 12.759 16.548 16.194 1.00 0.00 WT8 H ATOM 56076 H2 TIP3 8064 -4.171 11.470 -3.256 1.00 0.00 WT8 H ATOM 56077 OH2 TIP3 8067 2.635 -0.732 -2.974 1.00 0.00 WT8 O ATOM 56078 H1 TIP3 8067 -35.500 -1.822 -0.549 1.00 0.00 WT8 H ATOM 56079 H2 TIP3 8067 -17.013 -3.504 3.239 1.00 0.00 WT8 H ATOM 56080 OH2 TIP3 8068 3.492 0.983 -3.552 1.00 0.00 WT8 O ATOM 56081 H1 TIP3 8068 -19.228 -16.504 4.638 1.00 0.00 WT8 H ATOM 56082 H2 TIP3 8068 8.233 0.779 -12.018 1.00 0.00 WT8 H ATOM 56083 OH2 TIP3 8174 3.001 1.147 0.172 1.00 0.00 WT8 O ATOM 56084 H1 TIP3 8174 16.212 7.979 -13.593 1.00 0.00 WT8 H ATOM 56085 H2 TIP3 8174 4.595 -4.660 2.236 1.00 0.00 WT8 H ATOM 56086 OH2 TIP3 8403 -1.856 -1.383 1.381 1.00 0.00 WT8 O ATOM 56087 H1 TIP3 8403 -11.888 -4.447 14.989 1.00 0.00 WT8 H ATOM 56088 H2 TIP3 8403 -4.951 5.583 6.821 1.00 0.00 WT8 H ATOM 56089 OH2 TIP3 8411 1.054 2.092 -5.809 1.00 0.00 WT8 O ATOM 56090 H1 TIP3 8411 35.476 -1.175 5.392 1.00 0.00 WT8 H ATOM 56091 H2 TIP3 8411 0.951 2.398 4.746 1.00 0.00 WT8 H ATOM 56092 OH2 TIP3 8425 -1.981 -0.953 3.838 1.00 0.00 WT8 O ATOM 56093 H1 TIP3 8425 -17.808 -6.963 5.662 1.00 0.00 WT8 H ATOM 56094 H2 TIP3 8425 -6.471 -9.552 3.623 1.00 0.00 WT8 H ATOM 56095 OH2 TIP3 8466 0.496 1.855 3.351 1.00 0.00 WT8 O ATOM 56096 H1 TIP3 8466 -8.571 18.235 -6.565 1.00 0.00 WT8 H ATOM 56097 H2 TIP3 8466 -0.900 -7.215 17.167 1.00 0.00 WT8 H ATOM 56098 OH2 TIP3 8468 -3.102 -5.707 2.814 1.00 0.00 WT8 O ATOM 56099 H1 TIP3 8468 -4.442 -2.954 1.492 1.00 0.00 WT8 H ATOM 56100 H2 TIP3 8468 -0.971 -4.789 -1.004 1.00 0.00 WT8 H ATOM 56101 OH2 TIP3 8534 -1.185 1.668 0.498 1.00 0.00 WT8 O ATOM 56102 H1 TIP3 8534 12.687 2.191 -10.558 1.00 0.00 WT8 H ATOM 56103 H2 TIP3 8534 -0.178 -0.836 1.363 1.00 0.00 WT8 H ATOM 56104 OH2 TIP3 8536 -4.989 -1.731 -4.823 1.00 0.00 WT8 O ATOM 56105 H1 TIP3 8536 3.315 -2.466 -8.029 1.00 0.00 WT8 H ATOM 56106 H2 TIP3 8536 23.682 -9.712 16.376 1.00 0.00 WT8 H ATOM 56107 OH2 TIP3 8549 2.009 -0.257 1.485 1.00 0.00 WT8 O ATOM 56108 H1 TIP3 8549 -21.269 25.194 5.589 1.00 0.00 WT8 H ATOM 56109 H2 TIP3 8549 23.346 -23.988 -5.206 1.00 0.00 WT8 H ATOM 56110 OH2 TIP3 8556 -6.710 -4.574 -0.317 1.00 0.00 WT8 O ATOM 56111 H1 TIP3 8556 -2.580 -3.403 1.279 1.00 0.00 WT8 H ATOM 56112 H2 TIP3 8556 7.315 12.562 -3.766 1.00 0.00 WT8 H ATOM 56113 OH2 TIP3 8558 3.167 4.199 -2.239 1.00 0.00 WT8 O ATOM 56114 H1 TIP3 8558 5.177 -11.836 -10.526 1.00 0.00 WT8 H ATOM 56115 H2 TIP3 8558 -8.773 1.699 12.731 1.00 0.00 WT8 H ATOM 56116 OH2 TIP3 8574 4.897 12.575 -4.923 1.00 0.00 WT8 O ATOM 56117 H1 TIP3 8574 -14.499 23.597 -1.313 1.00 0.00 WT8 H ATOM 56118 H2 TIP3 8574 14.561 8.431 -4.569 1.00 0.00 WT8 H ATOM 56119 OH2 TIP3 8780 -6.157 -13.250 -1.738 1.00 0.00 WT8 O ATOM 56120 H1 TIP3 8780 18.160 25.729 -11.744 1.00 0.00 WT8 H ATOM 56121 H2 TIP3 8780 13.244 19.607 -11.698 1.00 0.00 WT8 H ATOM 56122 OH2 TIP3 8822 -1.770 3.435 -4.071 1.00 0.00 WT8 O ATOM 56123 H1 TIP3 8822 19.315 18.449 -3.060 1.00 0.00 WT8 H ATOM 56124 H2 TIP3 8822 4.261 -4.301 6.231 1.00 0.00 WT8 H ATOM 56125 OH2 TIP3 8845 1.511 3.001 2.348 1.00 0.00 WT8 O ATOM 56126 H1 TIP3 8845 -3.255 2.561 -15.805 1.00 0.00 WT8 H ATOM 56127 H2 TIP3 8845 15.944 3.357 8.515 1.00 0.00 WT8 H ATOM 56128 OH2 TIP3 8927 -0.362 0.804 3.052 1.00 0.00 WT8 O ATOM 56129 H1 TIP3 8927 4.086 -5.036 -12.289 1.00 0.00 WT8 H ATOM 56130 H2 TIP3 8927 1.818 -5.341 -2.507 1.00 0.00 WT8 H ATOM 56131 OH2 TIP3 8935 1.575 -2.401 2.345 1.00 0.00 WT8 O ATOM 56132 H1 TIP3 8935 33.177 -8.158 32.163 1.00 0.00 WT8 H ATOM 56133 H2 TIP3 8935 -3.961 0.456 43.029 1.00 0.00 WT8 H ATOM 56134 OH2 TIP3 8972 -2.006 -1.556 5.111 1.00 0.00 WT8 O ATOM 56135 H1 TIP3 8972 13.265 -0.777 15.321 1.00 0.00 WT8 H ATOM 56136 H2 TIP3 8972 -0.104 -0.952 7.903 1.00 0.00 WT8 H ATOM 56137 OH2 TIP3 8973 0.973 -4.379 5.244 1.00 0.00 WT8 O ATOM 56138 H1 TIP3 8973 -5.111 9.653 -15.014 1.00 0.00 WT8 H ATOM 56139 H2 TIP3 8973 13.175 10.891 18.169 1.00 0.00 WT8 H ATOM 56140 OH2 TIP3 8977 1.827 -2.755 -2.359 1.00 0.00 WT8 O ATOM 56141 H1 TIP3 8977 5.708 3.754 5.891 1.00 0.00 WT8 H ATOM 56142 H2 TIP3 8977 6.956 8.265 9.342 1.00 0.00 WT8 H ATOM 56143 OH2 TIP3 8988 -1.767 4.485 -3.098 1.00 0.00 WT8 O ATOM 56144 H1 TIP3 8988 -6.546 6.790 0.405 1.00 0.00 WT8 H ATOM 56145 H2 TIP3 8988 -4.899 2.698 -5.403 1.00 0.00 WT8 H ATOM 56146 OH2 TIP3 9055 0.963 -4.405 6.676 1.00 0.00 WT8 O ATOM 56147 H1 TIP3 9055 -7.682 0.431 -0.482 1.00 0.00 WT8 H ATOM 56148 H2 TIP3 9055 -1.007 -12.786 -0.455 1.00 0.00 WT8 H ATOM 56149 OH2 TIP3 9096 -6.397 1.021 0.706 1.00 0.00 WT8 O ATOM 56150 H1 TIP3 9096 -10.481 -4.568 15.399 1.00 0.00 WT8 H ATOM 56151 H2 TIP3 9096 2.778 11.942 -13.810 1.00 0.00 WT8 H ATOM 56152 OH2 TIP3 9250 9.509 -2.463 -6.536 1.00 0.00 WT8 O ATOM 56153 H1 TIP3 9250 -7.318 11.523 -22.674 1.00 0.00 WT8 H ATOM 56154 H2 TIP3 9250 -11.483 -29.238 -9.155 1.00 0.00 WT8 H ATOM 56155 SOD SOD 1 -9.794 -2.817 0.355 1.00 0.00 ION NA ATOM 56156 SOD SOD 2 -4.712 3.202 -2.233 1.00 0.00 ION NA ATOM 56157 SOD SOD 3 5.614 1.062 -4.589 1.00 0.00 ION NA ATOM 56158 SOD SOD 4 -0.528 -0.772 1.799 1.00 0.00 ION NA ATOM 56159 SOD SOD 5 3.117 -3.487 2.155 1.00 0.00 ION NA ATOM 56160 SOD SOD 6 1.874 -4.389 -0.890 1.00 0.00 ION NA ATOM 56161 SOD SOD 7 0.529 5.016 0.930 1.00 0.00 ION NA ATOM 56162 SOD SOD 8 0.269 -0.394 -0.127 1.00 0.00 ION NA ATOM 56163 SOD SOD 9 3.164 -4.650 1.975 1.00 0.00 ION NA ATOM 56164 SOD SOD 10 -5.766 -3.472 6.081 1.00 0.00 ION NA ATOM 56165 SOD SOD 11 2.497 -0.817 -1.807 1.00 0.00 ION NA ATOM 56166 SOD SOD 12 4.115 0.843 3.574 1.00 0.00 ION NA ATOM 56167 SOD SOD 13 -5.010 0.517 -1.800 1.00 0.00 ION NA ATOM 56168 SOD SOD 14 1.721 -1.664 4.316 1.00 0.00 ION NA ATOM 56169 SOD SOD 15 4.269 -1.738 -0.947 1.00 0.00 ION NA ATOM 56170 SOD SOD 16 -2.568 -4.021 1.058 1.00 0.00 ION NA ATOM 56171 SOD SOD 17 -0.542 -2.697 2.991 1.00 0.00 ION NA ATOM 56172 SOD SOD 18 1.594 -3.067 3.973 1.00 0.00 ION NA ATOM 56173 SOD SOD 19 3.271 1.098 -2.303 1.00 0.00 ION NA ATOM 56174 SOD SOD 20 2.995 3.808 -2.135 1.00 0.00 ION NA ATOM 56175 SOD SOD 21 -5.961 -1.444 0.767 1.00 0.00 ION NA ATOM 56176 SOD SOD 22 -0.087 -5.452 5.923 1.00 0.00 ION NA ATOM 56177 SOD SOD 23 2.412 -2.141 -0.009 1.00 0.00 ION NA ATOM 56178 SOD SOD 24 0.895 1.304 -2.692 1.00 0.00 ION NA ATOM 56179 SOD SOD 25 -0.479 -2.433 -1.069 1.00 0.00 ION NA ATOM 56180 SOD SOD 26 -0.620 -2.430 1.559 1.00 0.00 ION NA ATOM 56181 SOD SOD 27 -0.568 1.463 -4.876 1.00 0.00 ION NA ATOM 56182 SOD SOD 28 -1.845 -0.677 -3.705 1.00 0.00 ION NA ATOM 56183 SOD SOD 29 -1.741 2.083 0.461 1.00 0.00 ION NA ATOM 56184 SOD SOD 30 1.082 3.350 3.358 1.00 0.00 ION NA ATOM 56185 SOD SOD 31 1.165 -5.148 0.543 1.00 0.00 ION NA ATOM 56186 SOD SOD 32 -2.740 5.548 1.316 1.00 0.00 ION NA ATOM 56187 SOD SOD 33 1.613 -2.691 0.208 1.00 0.00 ION NA ATOM 56188 SOD SOD 34 -5.673 3.581 -0.392 1.00 0.00 ION NA ATOM 56189 SOD SOD 35 -2.542 2.758 1.922 1.00 0.00 ION NA ATOM 56190 SOD SOD 36 -0.033 -3.148 7.238 1.00 0.00 ION NA ATOM 56191 SOD SOD 37 3.117 2.926 -3.458 1.00 0.00 ION NA ATOM 56192 SOD SOD 38 2.293 -5.571 2.155 1.00 0.00 ION NA ATOM 56193 SOD SOD 39 -0.938 -4.703 5.778 1.00 0.00 ION NA ATOM 56194 SOD SOD 40 -0.835 -1.884 -2.721 1.00 0.00 ION NA ATOM 56195 SOD SOD 41 -4.778 4.945 1.912 1.00 0.00 ION NA ATOM 56196 SOD SOD 42 -7.493 0.199 2.101 1.00 0.00 ION NA ATOM 56197 SOD SOD 43 -0.590 -7.349 -1.288 1.00 0.00 ION NA ATOM 56198 SOD SOD 44 0.339 -5.693 2.828 1.00 0.00 ION NA ATOM 56199 SOD SOD 45 0.138 0.056 -3.625 1.00 0.00 ION NA ATOM 56200 SOD SOD 46 -0.192 3.202 -0.377 1.00 0.00 ION NA ATOM 56201 SOD SOD 47 -0.265 -3.777 4.783 1.00 0.00 ION NA ATOM 56202 SOD SOD 48 -0.010 -3.040 1.276 1.00 0.00 ION NA ATOM 56203 SOD SOD 49 -4.578 -1.756 -0.585 1.00 0.00 ION NA ATOM 56204 SOD SOD 50 -1.072 2.788 -3.863 1.00 0.00 ION NA ATOM 56205 SOD SOD 51 -2.727 7.862 3.592 1.00 0.00 ION NA ATOM 56206 SOD SOD 52 -1.100 3.207 -2.165 1.00 0.00 ION NA ATOM 56207 SOD SOD 53 0.050 0.455 -1.284 1.00 0.00 ION NA ATOM 56208 SOD SOD 54 -2.003 5.177 1.287 1.00 0.00 ION NA ATOM 56209 SOD SOD 55 1.915 -0.966 -0.040 1.00 0.00 ION NA ATOM 56210 SOD SOD 56 -0.565 -3.891 0.601 1.00 0.00 ION NA ATOM 56211 SOD SOD 57 -0.800 -1.446 6.046 1.00 0.00 ION NA ATOM 56212 SOD SOD 58 -7.199 -3.609 5.937 1.00 0.00 ION NA ATOM 56213 SOD SOD 59 1.059 -0.004 3.371 1.00 0.00 ION NA ATOM 56214 SOD SOD 60 0.443 -8.244 0.724 1.00 0.00 ION NA ATOM 56215 SOD SOD 61 -1.702 -4.609 0.734 1.00 0.00 ION NA ATOM 56216 SOD SOD 62 1.883 -1.411 -0.362 1.00 0.00 ION NA ATOM 56217 SOD SOD 63 0.893 -5.347 7.052 1.00 0.00 ION NA ATOM 56218 SOD SOD 64 -0.463 2.823 -1.838 1.00 0.00 ION NA ATOM 56219 SOD SOD 65 -0.598 -7.885 -4.149 1.00 0.00 ION NA ATOM 56220 SOD SOD 66 2.728 2.812 2.167 1.00 0.00 ION NA ATOM 56221 SOD SOD 67 0.260 0.692 -7.407 1.00 0.00 ION NA ATOM 56222 SOD SOD 68 -3.437 2.751 0.524 1.00 0.00 ION NA ATOM 56223 SOD SOD 69 6.426 -6.857 1.939 1.00 0.00 ION NA ATOM 56224 SOD SOD 70 -0.242 -3.754 -0.868 1.00 0.00 ION NA ATOM 56225 SOD SOD 71 2.672 -5.082 -0.148 1.00 0.00 ION NA ATOM 56226 SOD SOD 72 0.599 2.213 -0.172 1.00 0.00 ION NA ATOM 56227 SOD SOD 73 -4.594 1.828 -3.101 1.00 0.00 ION NA ATOM 56228 SOD SOD 74 -8.942 2.924 -1.107 1.00 0.00 ION NA ATOM 56229 SOD SOD 75 0.231 2.810 4.071 1.00 0.00 ION NA ATOM 56230 SOD SOD 76 3.709 -5.498 -6.139 1.00 0.00 ION NA ATOM 56231 SOD SOD 77 -4.184 5.254 -0.772 1.00 0.00 ION NA ATOM 56232 SOD SOD 78 2.977 -4.643 -2.933 1.00 0.00 ION NA ATOM 56233 SOD SOD 79 -2.214 6.388 -4.448 1.00 0.00 ION NA ATOM 56234 SOD SOD 80 -0.407 -3.153 -5.032 1.00 0.00 ION NA END